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Electrocatalysis in Alkaline Media and Alkaline Membrane-Based Energy Technologies

Journal Article · · Chemical Reviews
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  1. Cornell Univ., Ithaca, NY (United States)
  2. Univ. of Wisconsin, Madison, WI (United States)
  3. Wuhan Univ. (China)
  4. Univ. of Pennsylvania, Philadelphia, PA (United States)
  5. Carnegie Mellon Univ., Pittsburgh, PA (United States)
  6. Yale Univ., New Haven, CT (United States)
  7. Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
  8. National Renewable Energy Lab. (NREL), Golden, CO (United States)
  9. State Univ. of New York (SUNY), Binghamton, NY (United States)
  10. Univ. de Alicante (Spain)
+ Show Author Affiliations
Hydrogen energy-based electrochemical energy conversion technologies offer the promise of enabling a transition of the global energy landscape from fossil fuels to renewable energy. Here, we present a comprehensive review of the fundamentals of electrocatalysis in alkaline media and applications in alkaline-based energy technologies, particularly alkaline fuel cells and water electrolyzers. Anion exchange (alkaline) membrane fuel cells (AEMFCs) enable the use of nonprecious electrocatalysts for the sluggish oxygen reduction reaction (ORR), relative to proton exchange membrane fuel cells (PEMFCs), which require Pt-based electrocatalysts. However, the hydrogen oxidation reaction (HOR) kinetics is significantly slower in alkaline media than in acidic media. Understanding these phenomena requires applying theoretical and experimental methods to unravel molecular-level thermodynamics and kinetics of hydrogen and oxygen electrocatalysis and, particularly, the proton-coupled electron transfer (PCET) process that takes place in a proton-deficient alkaline media. Extensive electrochemical and spectroscopic studies, on single-crystal Pt and metal oxides, have contributed to the development of activity descriptors, as well as the identification of the nature of active sites, and the rate-determining steps of the HOR and ORR. Among these, the structure and reactivity of interfacial water serve as key potential and pH-dependent kinetic factors that are helping elucidate the origins of the HOR and ORR activity differences in acids and bases. Additionally, deliberately modulating and controlling catalyst-support interactions have provided valuable insights for enhancing catalyst accessibility and durability during operation. The design and synthesis of highly conductive and durable alkaline membranes/ionomers have enabled AEMFCs to reach initial performance metrics equal to or higher than those of PEMFCs. We emphasize the importance of using membrane electrode assemblies (MEAs) to integrate the often separately pursued/optimized electrocatalyst/support and membranes/ionomer components. Operando/in situ methods, at multiscales, and ab initio simulations provide a mechanistic understanding of electron, ion, and mass transport at catalyst/ionomer/membrane interfaces and the necessary guidance to achieve fuel cell operation in air over thousands of hours. We hope that this Review will serve as a roadmap for advancing the scientific understanding of the fundamental factors governing electrochemical energy conversion in alkaline media with the ultimate goal of achieving ultralow Pt or precious-metal-free high-performance and durable alkaline fuel cells and related technologies.
Research Organization:
National Renewable Energy Laboratory (NREL), Golden, CO (United States)
Sponsoring Organization:
USDOE
Grant/Contract Number:
AC36-08GO28308
OSTI ID:
1846941
Report Number(s):
NREL/JA-5900-82255; MainId:83028; UUID:c5dd1bb2-c057-45f5-8b88-e36cf67623d9; MainAdminID:63933
Journal Information:
Chemical Reviews, Journal Name: Chemical Reviews Journal Issue: 6 Vol. 122; ISSN 0009-2665
Publisher:
American Chemical SocietyCopyright Statement
Country of Publication:
United States
Language:
English

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Chlorine Evolution Reaction on RuO2(110): Ab initio Atomistic Thermodynamics Study - Pourbaix Diagrams journal February 2014
Pt Catalyst Supported within TiO2 Mesoporous Films for Oxygen Reduction Reaction journal June 2014
Based on a new support for synthesis of highly efficient palladium/hydroxyapatite catalyst for ethanol electrooxidation journal June 2014
Stability and Activity of Pt/ITO Electrocatalyst for Oxygen Reduction Reaction in Alkaline Media journal March 2015
Towards the understanding of the interfacial pH scale at Pt(1 1 1) electrodes journal April 2015
Sulfur-doped carbon nanotubes as catalysts for the oxygen reduction reaction in alkaline medium journal May 2015
Pd/Ni Synergestic Activity for Hydrogen Oxidation Reaction in Alkaline Conditions journal September 2015
3-D mesoporous nitrogen-doped reduced graphene oxide as an efficient metal-free electrocatalyst for oxygen reduction reaction in alkaline fuel cells: Role of π and lone pair electrons journal December 2016
Promotion of Ammonia Electrooxidation on Pt nanoparticles by Nickel Oxide Support journal December 2016
Initial stages of Pt(111) electrooxidation: dynamic and structural studies by surface X-ray diffraction journal January 2017
Study of the Pt (111) | electrolyte interface in the region close to neutral pH solutions by the laser induced temperature jump technique journal February 2017
Simulated Volcano Plot of Oxygen Reduction Reaction on Stepped Pt Surfaces journal March 2017
Effect of pH and Water Structure on the Oxygen Reduction Reaction on platinum electrodes journal July 2017
Variations in performance-degradation behavior of Pt/CNF and Pt/C MEAs for the same degree of carbon corrosion journal January 2018
Impact of carbonation processes in anion exchange membrane fuel cells journal February 2018
On the effect of temperature and surface oxidation on the kinetics of hydrogen electrode reactions on nickel in alkaline media journal April 2018
Mixed protonic-electronic conducting perovskite oxide as a robust oxygen evolution reaction catalyst journal August 2018
On the feasibility of bifunctional hydrogen oxidation on Ni and NiCu surfaces journal May 2019
Investigation of the interfacial properties of platinum stepped surfaces using peroxodisulfate reduction as a local probe journal June 2019
Hydrogen oxidation reaction on modified platinum model electrodes in alkaline media journal December 2019
Modulation of iridium-based catalyst by a trace of transition metals for hydrogen oxidation/evolution reaction in alkaline journal February 2020
Why the activity of the hydrogen oxidation reaction on platinum decreases as pH increases journal September 2020
Synthesis methods of low-Pt-loading electrocatalysts for proton exchange membrane fuel cell systems journal September 2010
UNIQUAC correlation of liquid–liquid equilibrium in systems involving ionic liquids: The DFT–PCM approach journal April 2009
Analytical modeling of liquid saturation jump effect for hydrogen alkaline anion exchange membrane fuel cell journal September 2017
Extended Brewer hypo-hyper--interionic bonding theory II. Strong metal-support interaction grafting of composite electrocatalysts journal March 2005
Influence of carbon nanofiber properties as electrocatalyst support on the electrochemical performance for PEM fuel cells journal September 2010
Measurements of water uptake and transport properties in anion-exchange membranes journal June 2010
MnO2 modified multi-walled carbon nanotubes supported Pd nanoparticles for methanol electro-oxidation in alkaline media journal October 2010
Effects of an agglomerate size distribution on the PEFC agglomerate model journal May 2012
Water management in alkaline anion exchange membrane fuel cell anode journal December 2012
Preparation and characterisation of Ti oxide based catalyst supports for low temperature fuel cells journal August 2013
Alkaline polymer electrolyte fuel cell with Ni-based anode and Co-based cathode journal December 2013
Density functional theory study of hydroxide-ion induced degradation of imidazolium cations journal September 2014
Degradation of guanidinium-functionalized anion exchange membrane during alkaline environment journal August 2014
Facile synthesis of Pd nanoparticles on nano carbon supports and their application as an electrocatalyst for oxidation of ethanol in alkaline media: The effect of support journal September 2015
Enhanced oxygen reduction reaction activity of nitrogen-doped graphene/multi-walled carbon nanotube catalysts in alkaline media journal December 2016
Influences of flow direction, temperature and relative humidity on the performance of a representative anion exchange membrane fuel cell: A computational analysis journal March 2017
Alkaline anion exchange membrane degradation as a function of humidity measured using the quartz crystal microbalance journal March 2017
Effect of humidity on the interaction of CO2 with alkaline anion exchange membranes probed using the quartz crystal microbalance journal September 2017
Carbon and non-carbon support materials for platinum-based catalysts in fuel cells journal April 2018
In situ electro-oxidation modulation of Ru(OH)x/Ag supported on nickel foam for efficient hydrogen evolution reaction in alkaline media journal August 2019
The non-precious metal ORR catalysts for the anion exchange membrane fuel cells application: A numerical simulation and experimental study journal September 2020
Differential electrochemical mass spectrometry journal December 2004
From the Sabatier principle to a predictive theory of transition-metal heterogeneous catalysis journal August 2015
Catalytic consequences of ultrafine Pt clusters supported on SrTiO3 for photocatalytic overall water splitting journal August 2019
Structure-activity relationships in metal organic framework derived mesoporous nitrogen-doped carbon containing atomically dispersed iron sites for CO2 electrochemical reduction journal October 2019
pH-dependent surface charging and points of zero charge. IV. Update and new approach journal September 2009
Ni(OH)2-Ni/C for hydrogen oxidation reaction in alkaline media journal February 2019
Boosting alkaline hydrogen electrooxidation on an unconventional fcc-Ru polycrystal journal October 2021
Temperature dependence of the COads oxidation process on Pt(111), Pt(100), and Pt(110) electrodes journal June 2004
On the global and local values of the potential of zero total charge at well-defined platinum surfaces: stepped and adatom modified surfaces journal July 2004
Structure and performance of different types of agglomerates in cathode catalyst layers of PEM fuel cells journal November 2004
In situ infrared spectroscopic and electrochemical study of hydrogen electro-oxidation on Pt electrode in sulfuric acid journal February 2006
Oxygen reduction on stepped platinum surfaces in acidic media journal January 2007
Peroxodisulphate reduction as a novel probe for the study of platinum single crystal/solution interphases journal January 2008
Structural effects on voltammograms of the low index planes of palladium and Pd(S)-[n(100)×(111)] surfaces in alkaline solution journal December 2008
Identical-location TEM investigations of Pt/C electrocatalyst degradation at elevated temperatures journal November 2011
Sequential Pt(111) oxide formation in perchloric acid: An electrochemical study of surface species inter-conversion journal January 2013
A DFT calculation study on the temperature-dependent hydrogen electrocatalysis on Pt(111) surface journal January 2013
DFT calculations on H, OH and O adsorbate formations on Pt(111) and Pt(332) electrodes journal March 2014
Electrochemical oxygen reduction behaviour of platinum nanoparticles supported on multi-walled carbon nanotube/titanium dioxide composites journal December 2014
Electrocatalysis of the hydrogen oxidation reaction on carbon-supported bimetallic NiCu particles prepared by an improved wet chemical synthesis journal December 2016
Observation of kinetic isotope effect in electrocatalysis with fully deuterated ultrapure electrolytes journal September 2019
Highly active carbon-supported Ni catalyst prepared by nitrate decomposition with a sacrificial agent for the hydrogen oxidation reaction in alkaline medium journal November 2019
Quantifying intrinsic kinetics of electrochemical reaction controlled by mass transfer of multiple species under rotating disk electrode configuration journal September 2020
New insights into the Pt(hkl)-alkaline solution interphases from the laser induced temperature jump method journal September 2020
Stern layers on RuO2 (100) and (110) in electrolyte: Surface X-ray scattering studies journal October 2020
Recent advancements in applications of alkaline anion exchange membranes for polymer electrolyte fuel cells journal February 2019
Durable and Efficient Hollow Porous Oxide Spinel Microspheres for Oxygen Reduction journal February 2018
Advanced Characterization in Clean Water Technologies journal August 2020
Fabrication of a thin catalyst layer using organic solvents journal March 2004
The evolution of the performance of alkaline fuel cells with circulating electrolyte journal April 2004
Comparative study of protonic conducting polymers incorporated in the oxygen electrode of the PEMFC journal September 2005
The role of carbon in fuel cells journal June 2006
High voltage stability of nanostructured thin film catalysts for PEM fuel cells journal October 2006
Effect of support on the activity of Pd electrocatalyst for ethanol oxidation journal December 2006
Understanding and approaches for the durability issues of Pt-based catalysts for PEM fuel cell journal September 2007
High loading and monodispersed Pt nanoparticles on multiwalled carbon nanotubes for high performance proton exchange membrane fuel cells journal March 2008
Pt nanoparticles deposited on TiO2 based nanofibers: Electrochemical stability and oxygen reduction activity journal May 2010
Activity and stability of non-precious metal catalysts for oxygen reduction in acid and alkaline electrolytes journal October 2010
Nitrogen-doped multi-walled carbon nanocoils as catalyst support for oxygen reduction reaction in proton exchange membrane fuel cell journal December 2010
Comparison of electrochemical stability of transition metal carbides (WC, W2C, Mo2C) over a wide pH range journal March 2012
Graphene nanoplate-Pt composite as a high performance electrocatalyst for direct methanol fuel cells journal April 2012
A review on performance degradation of proton exchange membrane fuel cells during startup and shutdown processes: Causes, consequences, and mitigation strategies journal May 2012
Support materials for PEMFC and DMFC electrocatalysts—A review journal June 2012
High-performance alkaline fuel cells using crosslinked composite anion exchange membrane journal January 2013
Model for investigation of oxygen transport limitation in a polymer electrolyte fuel cell journal January 2013
Effects of short-side-chain perfluorosulfonic acid ionomers as binders on the performance of low Pt loading fuel cell cathodes journal February 2015
Titanium cobalt nitride supported platinum catalyst with high activity and stability for oxygen reduction reaction journal June 2015
Importance of balancing membrane and electrode water in anion exchange membrane fuel cells journal January 2018
Water permeation through anion exchange membranes journal January 2018
Anion exchange membrane fuel cells: Current status and remaining challenges journal January 2018
The critical relation between chemical stability of cations and water in anion exchange membrane fuel cells environment journal January 2018
Experimental and analytical analysis of polarization and water transport behaviors of hydrogen alkaline membrane fuel cell journal April 2018
Alkaline polymer electrolyte fuel cells stably working at 80 °C journal June 2018
Nanostructured nickel nanoparticles supported on vulcan carbon as a highly active catalyst for the hydrogen oxidation reaction in alkaline media journal October 2018
Unraveling the composition-activity relationship of Pt Ru binary alloy for hydrogen oxidation reaction in alkaline media journal February 2019
On the origin of permanent performance loss of anion exchange membrane fuel cells: Electrochemical oxidation of phenyl group journal October 2019
Simulation of carbon black aggregate and evaluation of ionomer structure on carbon in catalyst layer of polymer electrolyte fuel cell journal November 2019
Extraordinary activity of mesoporous carbon supported Ru toward the hydrogen oxidation reaction in alkaline media journal June 2020
Effect of reacting gas flowrates and hydration on the carbonation of anion exchange membrane fuel cells in the presence of CO2 journal August 2020
Alkaline polymer electrolyte fuel cells without anode humidification and H2 emission journal October 2020
Oxygen content determination in perovskite-type cobaltates journal February 2005
Polybenzimidazole/ionic liquid functionalized graphene oxide nanocomposite membrane for alkaline anion exchange membrane fuel cells journal June 2016
Strategies to Break the Scaling Relation toward Enhanced Oxygen Electrocatalysis journal December 2019
Tailoring a Three-Phase Microenvironment for High-Performance Oxygen Reduction Reaction in Proton Exchange Membrane Fuel Cells journal November 2020
Materials, technological status, and fundamentals of PEM fuel cells – A review journal January 2020
Hydroxide-ion induced degradation pathway for dimethylimidazolium groups in anion exchange membranes journal July 2014
Hydroxide, halide and water transport in a model anion exchange membrane journal August 2014
A stable anion exchange membrane based on imidazolium salt for alkaline fuel cell journal October 2014
Comparison of alkaline stability of quaternary ammonium- and 1,2-methylimidazolium-based alkaline anion exchange membranes journal August 2015
Crosslinked norbornene copolymer anion exchange membrane for fuel cells journal June 2018
Anionic multiblock copolymer membrane based on vinyl addition polymerization of norbornenes: Applications in anion-exchange membrane fuel cells journal January 2019
Preparation of anion exchange membrane with enhanced conductivity and alkaline stability by incorporating ionic liquid modified carbon nanotubes journal March 2019
Guiding the self-assembly of hyperbranched anion exchange membranes utilized in alkaline fuel cells journal March 2019
N-cyclic quaternary ammonium-functionalized anion exchange membrane with improved alkaline stability enabled by aryl-ether free polymer backbones for alkaline fuel cells journal October 2019
Controllable physical-crosslinking poly(arylene 6-azaspiro[5.5] undecanium) for long-lifetime anion exchange membrane applications journal November 2019
Structure-transport relationships of poly(aryl piperidinium) anion-exchange membranes: Eeffect of anions and hydration journal March 2020
The effect of polymer backbones and cation functional groups on properties of anion exchange membranes for fuel cells journal May 2020
Effect of N-cyclic cationic groups in poly(phenylene oxide)-based catalyst ionomer membranes for anion exchange membrane fuel cells journal August 2020
Quantifying the critical effect of water diffusivity in anion exchange membranes for fuel cell applications journal August 2020
Electrochemical properties of fuel cell catalysts loaded on carbon nanomaterials with different geometries journal June 2015
Interfacial effects on the catalysis of the hydrogen evolution, oxygen evolution and CO2-reduction reactions for (co-)electrolyzer development journal November 2016
Advanced catalyst supports for PEM fuel cell cathodes journal November 2016
Pd skin on AuCu intermetallic nanoparticles: A highly active electrocatalyst for oxygen reduction reaction in alkaline media journal November 2016
Design principles for hydrogen evolution reaction catalyst materials journal November 2016
Directly converting Fe-doped metal–organic frameworks into highly active and stable Fe-N-C catalysts for oxygen reduction in acid journal July 2016
A scenario for oxygen reduction in alkaline media journal August 2016
RuO2 nanoparticles supported on MnO2 nanorods as high efficient bifunctional electrocatalyst of lithium-oxygen battery journal October 2016
Highly active nanostructured palladium-ceria electrocatalysts for the hydrogen oxidation reaction in alkaline medium journal March 2017
Atomically FeN2 moieties dispersed on mesoporous carbon: A new atomic catalyst for efficient oxygen reduction catalysis journal May 2017
Perfectly ordered mesoporous iron-nitrogen doped carbon as highly efficient catalyst for oxygen reduction reaction in both alkaline and acidic electrolytes journal June 2017
Hydrogen oxidation reaction in alkaline media: Relationship between electrocatalysis and electrochemical double-layer structure journal November 2017
Palladium-ceria nanocatalyst for hydrogen oxidation in alkaline media: Optimization of the Pd–CeO2 interface journal March 2019
Does the oxophilic effect serve the same role for hydrogen evolution/oxidation reaction in alkaline media? journal August 2019
Exploiting dynamic water structure and structural sensitivity for nanoscale electrocatalyst design journal October 2019
Electronic structure and oxophilicity optimization of mono-layer Pt for efficient electrocatalysis journal August 2020
Alkaline anion exchange membranes with imidazolium-terminated flexible side-chain cross-linked topological structure based on ROMP-type norbornene copolymers journal May 2020
Alkaline-stable anion exchange membranes: A review of synthetic approaches journal January 2020
Anion exchange polyelectrolytes for membranes and ionomers journal February 2021
Resonance anomalous surface X-ray scattering journal November 2006
JDFTx: Software for joint density-functional theory journal January 2017
A theoretical study of how C2-substitution affects alkaline stability in imidazolium-based anion exchange membranes journal October 2015
ElectroCat: DOE's approach to PGM-free catalyst and electrode R&D journal June 2018
DPD simulations of anion exchange membrane: The effect of an alkyl spacer on the hydrated morphology journal October 2019
Surface structure and relaxation at the Pt3Sn(111)/electrolyte interface journal October 2003
The exit-wave power-cepstrum transform for scanning nanobeam electron diffraction: robust strain mapping at subnanometer resolution and subpicometer precision journal July 2020
Ab Initio Molecular Dynamics book January 2009
The Art of Molecular Dynamics Simulation book January 2004
The potential and limitations of neutrons, electrons and X-rays for atomic resolution microscopy of unstained biological molecules journal May 1995
In Situ Electron Energy-Loss Spectroscopy in Liquids journal May 2013
Understanding Pt-Co Catalyst Degradation Mechanism: from Ex-situ to In-situ journal August 2013
Quantitative Electrochemical Measurements Using In Situ ec-S/TEM Devices journal March 2014
In Situ TEM for Quantitative Electrochemistry of Energy Systems journal August 2015
Characterization of Sulfur and Nanostructured Sulfur Battery Cathodes in Electron Microscopy Without Sublimation Artifacts journal February 2017
Practical Aspects of Electrochemical Corrosion Measurements During In Situ Analytical Transmission Electron Microscopy (TEM) of Austenitic Stainless Steel in Aqueous Media journal August 2017
Four-Dimensional Scanning Transmission Electron Microscopy (4D-STEM): From Scanning Nanodiffraction to Ptychography and Beyond journal May 2019
Cryo-STEM-EDX for Reliable Characterization of Sulfur Distribution and the Rational Design of Sulfur Hosts for Li-S Batteries journal July 2020
Temperature Effects in Liquid Cell Transmission Electron Microscopy journal July 2020
Elucidating Cathodic Corrosion Mechanisms with Operando Electrochemical Liquid-Cell STEM in Multiple Dimensions journal July 2021
New Double-Band-Electrode Channel Flow Differential Electrochemical Mass Spectrometry Cell: Application for Detecting Product Formation during Methanol Electrooxidation journal May 2010
Combining Computational Modeling with Reaction Kinetics Experiments for Elucidating the In Situ Nature of the Active Site in Catalysis journal September 2020
Importance and Challenges of Electrochemical in Situ Liquid Cell Electron Microscopy for Energy Conversion Research journal August 2016
Kinetics of Electrocatalytic Reactions from First-Principles: A Critical Comparison with the Ab Initio Thermodynamics Approach journal April 2017
Improved Hydrogen Oxidation Reaction Activity and Stability of Buried Metal-Oxide Electrocatalyst Interfaces journal August 2020
Enhancing Electrocatalytic Activity of Perovskite Oxides by Tuning Cation Deficiency for Oxygen Reduction and Evolution Reactions journal February 2016
N -Alkyl Interstitial Spacers and Terminal Pendants Influence the Alkaline Stability of Tetraalkylammonium Cations for Anion Exchange Membrane Fuel Cells journal April 2016
Simultaneous, Synergistic Control of Ion Exchange Capacity and Cross-Linking of Sterically-Protected Poly(benzimidazolium)s journal October 2016
Effect of Water on the Stability of Quaternary Ammonium Groups for Anion Exchange Membrane Fuel Cell Applications journal May 2017
Decreasing the Hydroxylation Affinity of La 1– x Sr x MnO 3 Perovskites To Promote Oxygen Reduction Electrocatalysis journal November 2017
High-Loading Intermetallic Pt 3 Co/C Core–Shell Nanoparticles as Enhanced Activity Electrocatalysts toward the Oxygen Reduction Reaction (ORR) journal February 2018
Tailoring the Co 3d-O 2p Covalency in LaCoO 3 by Fe Substitution To Promote Oxygen Evolution Reaction journal November 2017
Toward Improved Alkaline Membrane Fuel Cell Performance Using Quaternized Aryl-Ether Free Polyaromatics journal March 2018
Copper-Induced Formation of Structurally Ordered Pt–Fe–Cu Ternary Intermetallic Electrocatalysts with Tunable Phase Structure and Improved Stability journal August 2018
Ionomer Cross-Linking Immobilization of Catalyst Nanoparticles for High Performance Alkaline Membrane Fuel Cells journal September 2019
Adsorption of Polyaromatic Backbone Impacts the Performance of Anion Exchange Membrane Fuel Cells journal May 2019
Hydroxide Ion Diffusion in Anion-Exchange Membranes at Low Hydration: Insights from Ab Initio Molecular Dynamics journal June 2019
Rock-Salt-Type MnCo 2 O 3 /C as Efficient Oxygen Reduction Electrocatalysts for Alkaline Fuel Cells journal October 2019
Microkinetic Modeling: A Tool for Rational Catalyst Design journal November 2020
In Situ / Operando Electrocatalyst Characterization by X-ray Absorption Spectroscopy journal September 2020
Computational Methods in Heterogeneous Catalysis journal December 2020
Recent Advances in Electrocatalysts for Oxygen Reduction Reaction journal February 2016
Dispersion-Corrected Mean-Field Electronic Structure Methods journal April 2016
Structure, Properties, Functionalization, and Applications of Carbon Nanohorns journal April 2016
Nuclear Quantum Effects in Water and Aqueous Systems: Experiment, Theory, and Current Challenges journal April 2016
Water at Interfaces journal April 2016
First-Principles Models for van der Waals Interactions in Molecules and Materials: Concepts, Theory, and Applications journal March 2017
Synchrotron X-ray Analytical Techniques for Studying Materials Electrochemistry in Rechargeable Batteries journal September 2017
Spinels: Controlled Preparation, Oxygen Reduction/Evolution Reaction Application, and Beyond journal July 2017
Understanding Catalytic Activity Trends in the Oxygen Reduction Reaction journal December 2017
Alkaline Anion-Exchange Membrane Fuel Cells: Challenges in Electrocatalysis and Interfacial Charge Transfer journal November 2019
Reaction Pathways and Microkinetic Modeling of n -Butane Oxidation to 1-Butanol on Cu, Cu 3 Pd, Pd, Ag 3 Pd, and PdZn (111) Surfaces journal April 2018
Rapid Synthesis and Efficient Electrocatalytic Oxygen Reduction/Evolution Reaction of CoMn 2 O 4 Nanodots Supported on Graphene journal May 2015
Detection and Characterization of Hydride Ligands in Iron Complexes by High-Resolution Hard X-ray Spectroscopy and Implications for Catalytic Processes journal October 2017
Enabling Large-Scale Condensed-Phase Hybrid Density Functional Theory-Based Ab Initio Molecular Dynamics II: Extensions to the Isobaric–Isoenthalpic and Isobaric–Isothermal Ensembles journal November 2021
Ionization Energies and Aqueous Redox Potentials of Organic Molecules: Comparison of DFT, Correlated ab Initio Theory and Pair Natural Orbital Approaches journal April 2016
Enabling Large-Scale Condensed-Phase Hybrid Density Functional Theory Based Ab Initio Molecular Dynamics. 1. Theory, Algorithm, and Performance journal February 2020
Degradation of Organic Cations under Alkaline Conditions journal November 2020
Characterizing Cation Chemistry for Anion Exchange Membranes—A Product Study of Benzylimidazolium Salt Decompositions in Base journal October 2019
Electric Field Effects in Oxygen Reduction Kinetics: Rationalizing pH Dependence at the Pt(111), Au(111), and Au(100) Electrodes journal June 2020
Mesoscale Simulations of Quaternary Ammonium-Tethered Triblock Copolymers: Effects of the Degree of Functionalization and Styrene Content journal July 2020
Theoretical Insights on the Synergy and Competition between Thermochemical and Electrochemical Steps in Oxygen Electroreduction journal November 2020
Elucidating the Structure of the Cu-Alkaline Electrochemical Interface with the Laser-Induced Temperature Jump Method journal September 2020
Theory of Electrochemical Proton-Coupled Electron Transfer in Diabatic Vibronic Representation: Application to Proton Discharge on Metal Electrodes in Alkaline Solution journal December 2020
Designing Synergistic Electrocatalysts for H 2 Oxidation and Evolution Reactions in Alkaline Media journal March 2021
Towards First Principles-Based Prediction of Highly Accurate Electrochemical Pourbaix Diagrams journal July 2015
Transient Structures of PdO during CO Oxidation over Pd(100) journal June 2015
pH and Alkali Cation Effects on the Pt Cyclic Voltammogram Explained Using Density Functional Theory journal December 2015
Film and Interface Atomic Structures of Electrodeposited Co/Au(111) Layers: An in Situ X-ray Scattering Study as a Function of the Surface Chemistry and the Electrochemical Potential journal February 2016
Potential-Dependent Structures and Potential-Induced Structure Changes at Pt(111) Single-Crystal Electrode/Sulfuric and Perchloric Acid Interfaces in the Potential Region between Hydrogen Underpotential Deposition and Surface Oxide Formation by In Situ Surface X-ray Scattering journal May 2016
General Models for the Electrochemical Hydrogen Oxidation and Hydrogen Evolution Reactions: Theoretical Derivation and Experimental Results under Near Mass-Transport Free Conditions journal May 2016
X-ray Crystal Truncation Rod Studies of Surface Oxidation and Reduction on Pt(111) journal March 2016
Surface Acid–Base Properties of Anion-Adsorbed Species at Pt(111) Electrode Surfaces in Contact with CO 2 -Containing Perchloric Acid Solutions journal March 2016
Mechanism of Oxygen Reduction Reaction on Pt(111) in Alkaline Solution: Importance of Chemisorbed Water on Surface journal July 2016
Structural Change of the Rutile–TiO 2 (110) Surface During the Photoinduced Wettability Conversion journal December 2016
A Combined Theoretical and Experimental Approach for Platinum Catalyzed 1,2-Propanediol Aqueous Phase Reforming journal June 2017
Redox Processes of Manganese Oxide in Catalyzing Oxygen Evolution and Reduction: An in Situ Soft X-ray Absorption Spectroscopy Study journal August 2017
The Relationship between the Active Pt Fraction in a PEFC Pt/C Catalyst and the ECSA and Mass Activity during Start-Up/Shut-Down Degradation by in Situ Time-Resolved XAFS Technique journal October 2017
Potential- and Rate-Determining Step for Oxygen Reduction on Pt(111) journal November 2017
Sequential-Optimization-Based Framework for Robust Modeling and Design of Heterogeneous Catalytic Systems journal November 2017
Quantum Chemical Prediction of p K a Values of Cationic Ion-Exchange Groups in Polymer Electrolyte Membranes journal January 2018
Influence of Strain on the Surface–Oxygen Interaction and the Oxygen Evolution Reaction of SrIrO 3 journal February 2018
Iron-Based Perovskites for Catalyzing Oxygen Evolution Reaction journal March 2018
High-Resolution Imaging of Polymer Electrolyte Membrane Fuel Cell Cathode Layers by Soft X-ray Spectro-Ptychography journal May 2018
Surface Orientation Dependent Water Dissociation on Rutile Ruthenium Dioxide journal July 2018
Ab Initio Molecular Dynamics Study of Hydroxide Diffusion Mechanisms in Nanoconfined Structural Mimics of Anion Exchange Membranes journal February 2019
Metallic Ni 3 N Quantum Dots as a Synergistic Promoter for NiO Nanosheet toward Efficient Oxygen Reduction Electrocatalysis journal March 2019
Structure of a Superhydrophilic Surface: Wet Chemically Prepared Rutile-TiO 2 (110)(1 × 1) journal February 2019
Exploring Side-Chain Designs for Enhanced Ion Conductivity of Anion-Exchange Membranes by Mesoscale Simulations journal April 2019
Theory of Proton Discharge on Metal Electrodes: Electronically Adiabatic Model journal April 2019
Quantitative Understanding of the Sluggish Kinetics of Hydrogen Reactions in Alkaline Media Based on a Microscopic Hamiltonian Model for the Volmer Step journal June 2019
Role of Hydroxyl Species in Hydrogen Oxidation Reaction: A DFT Study journal September 2019
Intrinsically Synergistic Active Centers Coupled with Surface Metal Doping To Facilitate Alkaline Hydrogen Evolution Reaction journal September 2019
Designing Anion Exchange Membranes with Enhanced Hydroxide Ion Conductivity by Mesoscale Simulations journal January 2020
In Situ Spectroscopy Study of Oxygen Reduction Reaction Intermediates at the Pt/Acid Interface: Surface-Enhanced Infrared Absorbance Spectroscopy journal March 2020
Kinetic Isotope Effects Quantify pH-Sensitive Water Dynamics at the Pt Electrode Interface journal March 2020
Water Layering Affects Hydroxide Diffusion in Functionalized Nanoconfined Environments journal June 2020
A Reactive Force Field with Coarse-Grained Electrons for Liquid Water journal October 2020
Detection of Superoxide Anion Oxygen Reduction Reaction Intermediate on Pt(111) by Infrared Reflection Absorption Spectroscopy in Neutral pH Conditions journal February 2021
Highly Active Epitaxial La (1– x ) Sr x MnO 3 Surfaces for the Oxygen Reduction Reaction: Role of Charge Transfer journal April 2015
Electrochemical Barriers Made Simple journal June 2015
Surface- and Tip-Enhanced Raman Spectroscopy in Catalysis journal April 2016
The Priority and Challenge of High-Power Performance of Low-Platinum Proton-Exchange Membrane Fuel Cells journal March 2016
Potential Dependence of Electrochemical Barriers from ab Initio Calculations journal April 2016
Cation–Hydroxide–Water Coadsorption Inhibits the Alkaline Hydrogen Oxidation Reaction journal October 2016
Layering and Ordering in Electrochemical Double Layers journal February 2018
Structure, Polarization, and Sum Frequency Generation Spectrum of Interfacial Water on Anatase TiO 2 journal November 2018
Kinetics of Proton Discharge on Metal Electrodes: Effects of Vibrational Nonadiabaticity and Solvent Dynamics journal August 2019
First-Principles Calculation of Water p K a Using the Newly Developed SCAN Functional journal December 2019
Sublayered Thin Films of Hydrated Anion Exchange Ionomer for Fuel Cells Formed on SiO 2 and Pt Substrates Analyzed by Neutron Reflectometry under Controlled Temperature and Humidity Conditions journal April 2020
Humidity-Dependent Surface Structure and Hydroxide Conductance of a Model Quaternary Ammonium Anion Exchange Membrane journal October 2019
Functionalizing Polystyrene with N -Alicyclic Piperidine-Based Cations via Friedel–Crafts Alkylation for Highly Alkali-Stable Anion-Exchange Membranes journal June 2020
Exploring the Effects of Bulky Cations Tethered to Semicrystalline Polymers: The Case of Tetraaminophosphoniums with Ring-Opened Polynorbornenes journal September 2020
High-Performance Anion Exchange Membranes with Para-Type Cations on Electron-Withdrawing C═O Links Free Backbone journal October 2020
Alkaline Chemical Stability of Polymerized Ionic Liquids with Various Cations journal September 2015
Stable Elastomeric Anion Exchange Membranes Based on Quaternary Ammonium-Tethered Polystyrene-b-poly(ethylene-co-butylene)-b-polystyrene Triblock Copolymers journal September 2015
Polyethylene-Based Block Copolymers for Anion Exchange Membranes journal September 2015
Systematic Alkaline Stability Study of Polymer Backbones for Anion Exchange Membrane Applications journal April 2016
Alkaline Chemical Stability and Ion Transport in Polymerized Ionic Liquids with Various Backbones and Cations journal April 2016
Mesoscale Simulations of Anion Exchange Membranes Based on Quaternary Ammonium Tethered Triblock Copolymers journal May 2017
Poly( N , N -diallylazacycloalkane)s for Anion-Exchange Membranes Functionalized with N -Spirocyclic Quaternary Ammonium Cations journal March 2017
Synthesis of Alkaline Anion Exchange Membranes with Chemically Stable Imidazolium Cations: Unexpected Cross-Linked Macrocycles from Ring-Fused ROMP Monomers journal April 2018
Synthesis of Aromatic Anion Exchange Membranes by Friedel–Crafts Bromoalkylation and Cross-Linking of Polystyrene Block Copolymers journal February 2019
Poly(olefin)-Based Anion Exchange Membranes Prepared Using Ziegler–Natta Polymerization journal May 2019
Rh-Doped Pt–Ni Octahedral Nanoparticles: Understanding the Correlation between Elemental Distribution, Oxygen Reduction Reaction, and Shape Stability journal February 2016
Measuring Three-Dimensional Strain and Structural Defects in a Single InGaAs Nanowire Using Coherent X-ray Multiangle Bragg Projection Ptychography journal January 2018
Operando Monitoring of the Solution-Mediated Discharge and Charge Processes in a Na–O 2 Battery Using Liquid-Electrochemical Transmission Electron Microscopy journal January 2018
Rapid Analysis of Tetrakis(dialkylamino)phosphonium Stability in Alkaline Media journal October 2017
Tailoring Morphology and Electronic Structure of Cobalt Iron Oxide Nanowires for Electrochemical Oxygen Evolution Reaction journal August 2020
Integration of a Pd-CeO 2 /C Anode with Pt and Pt-Free Cathode Catalysts in High Power Density Anion Exchange Membrane Fuel Cells journal October 2020
Multiblock Copolymer Anion-Exchange Membranes Derived from Vinyl Addition Polynorbornenes journal September 2021
Anion Exchange Membranes’ Evolution toward High Hydroxide Ion Conductivity and Alkaline Resiliency journal June 2018
Operando Observation of Chemical Transformations of Iridium Oxide During Photoelectrochemical Water Oxidation journal January 2019
Highly Conductive Anion-Exchange Membranes Based on Cross-Linked Poly(norbornene): Vinyl Addition Polymerization journal March 2019
Highly Conducting Anion-Exchange Membranes Based on Cross-Linked Poly(norbornene): Ring Opening Metathesis Polymerization journal February 2019
Exploring the Composition–Activity Relation of Ni–Cu Binary Alloy Electrocatalysts for Hydrogen Oxidation Reaction in Alkaline Media journal April 2019
Ether-Free Polybenzimidazole Bearing Pendant Imidazolium Groups for Alkaline Anion Exchange Membrane Fuel Cells Application journal December 2019
Enhancement of Alkaline Hydrogen Oxidation Reaction of Ru–Ir Alloy Nanoparticles through Bifunctional Mechanism on Ru–Ir Pair Site journal April 2020
Mechanistic Insights into the Hydrogen Oxidation Reaction on PtNi Alloys in Alkaline Media: A First-Principles Investigation journal August 2020
Improving the Antioxidation Capability of the Ni Catalyst by Carbon Shell Coating for Alkaline Hydrogen Oxidation Reaction journal June 2020
Facilitating Anion Transport in Polyolefin-Based Anion Exchange Membranes via Bulky Side Chains journal August 2016
Quantitative in Situ Analysis of Ionomer Structure in Fuel Cell Catalytic Layers journal September 2016
Resolving Electrode Morphology’s Impact on Platinum Group Metal-Free Cathode Performance Using Nano-CT of 3D Hierarchical Pore and Ionomer Distribution journal November 2016
Anion Exchange Membranes: Enhancement by Addition of Unfunctionalized Triptycene Poly(Ether Sulfone)s journal December 2017
Tuning the Ionomer Distribution in the Fuel Cell Catalyst Layer with Scaling the Ionomer Aggregate Size in Dispersion journal May 2018
New Insight into the Mechanism of the Hydrogen Evolution Reaction on MoP(001) from First Principles journal May 2018
In-Situ Formed Hydroxide Accelerating Water Dissociation Kinetics on Co 3 N for Hydrogen Production in Alkaline Solution journal June 2018
Effect of the Interfacial Water Structure on the Hydrogen Evolution Reaction on Pt(111) Modified with Different Nickel Hydroxide Coverages in Alkaline Media journal December 2018
La 1.5 Sr 0.5 NiMn 0.5 Ru 0.5 O 6 Double Perovskite with Enhanced ORR/OER Bifunctional Catalytic Activity journal May 2019
Membrane/Electrode Interface Design for Effective Water Management in Alkaline Membrane Fuel Cells journal June 2019
Design and Preparation of Fe–N 5 Catalytic Sites in Single-Atom Catalysts for Enhancing the Oxygen Reduction Reaction in Fuel Cells journal March 2020
A Polyethylene-Based Triblock Copolymer Anion Exchange Membrane with High Conductivity and Practical Mechanical Properties journal February 2020
Recent Advances in the Understanding of Nickel-Based Catalysts for the Oxidation of Hydrogen-Containing Fuels in Alkaline Media journal May 2020
How Noninnocent Spectator Species Improve the Oxygen Reduction Activity of Single-Atom Catalysts: Microkinetic Models from First-Principles Calculations journal July 2020
IrMo Nanocatalysts for Efficient Alkaline Hydrogen Electrocatalysis journal June 2020
Enhanced ORR Kinetics on Au-Doped Pt–Cu Porous Films in Alkaline Media journal August 2020
Structurally Disordered Phosphorus-Doped Pt as a Highly Active Electrocatalyst for an Oxygen Reduction Reaction journal December 2020
Phosphorus-Induced Activation of Ruthenium for Boosting Hydrogen Oxidation and Evolution Electrocatalysis journal September 2020
The Catalytic Mechanics of Dynamic Surfaces: Stimulating Methods for Promoting Catalytic Resonance journal September 2020
Operando X-ray Absorption Spectroscopy Investigation of Photocatalytic Hydrogen Evolution over Ultradispersed Pt/TiO 2 Catalysts journal October 2020
Self-Optimized Ligand Effect in L1 2 -PtPdFe Intermetallic for Efficient and Stable Alkaline Hydrogen Oxidation Reaction journal December 2020
Carbide-Supported PtRu Catalysts for Hydrogen Oxidation Reaction in Alkaline Electrolyte journal January 2021
Operando Methods in Electrocatalysis journal January 2021
Correlating Hydrogen Oxidation/Evolution Reaction Activity with the Minority Weak Hydrogen-Binding Sites on Ir/C Catalysts journal June 2015
Oxygen Reduction in Alkaline Media: From Mechanisms to Recent Advances of Catalysts journal July 2015
Huge Instability of Pt/C Catalysts in Alkaline Medium journal July 2015
Platinum and Palladium Overlayers Dramatically Enhance the Activity of Ruthenium Nanotubes for Alkaline Hydrogen Oxidation journal October 2015
Recent Insights into Manganese Oxides in Catalyzing Oxygen Reduction Kinetics journal September 2015
Charge-Transfer Effects in Ni–Fe and Ni–Fe–Co Mixed-Metal Oxides for the Alkaline Oxygen Evolution Reaction journal December 2015
Elucidating Hydrogen Oxidation/Evolution Kinetics in Base and Acid by Enhanced Activities at the Optimized Pt Shell Thickness on the Ru Core journal October 2015
Water as a Promoter and Catalyst for Dioxygen Electrochemistry in Aqueous and Organic Media journal October 2015
Significant Contribution of Intrinsic Carbon Defects to Oxygen Reduction Activity journal October 2015
Synchrotron-Based In Situ Characterization of Carbon-Supported Platinum and Platinum Monolayer Electrocatalysts journal December 2015
Achieving High-Power PEM Fuel Cell Performance with an Ultralow-Pt-Content Core–Shell Catalyst journal February 2016
Role of Chemical Composition in the Enhanced Catalytic Activity of Pt-Based Alloyed Ultrathin Nanowires for the Hydrogen Oxidation Reaction under Alkaline Conditions journal May 2016
Limitations and Improvement Strategies for Early-Transition-Metal Nitrides as Competitive Catalysts toward the Oxygen Reduction Reaction journal August 2016
The Degree of Rate Control: A Powerful Tool for Catalysis Research journal March 2017
Scaling-Relation-Based Analysis of Bifunctional Catalysis: The Case for Homogeneous Bimetallic Alloys journal May 2017
Fe/N/C Nanotubes with Atomic Fe Sites: A Highly Active Cathode Catalyst for Alkaline Polymer Electrolyte Fuel Cells journal August 2017
Adsorbed Hydroxide Does Not Participate in the Volmer Step of Alkaline Hydrogen Electrocatalysis journal November 2017
Effect of pH on the Activity of Platinum Group Metal-Free Catalysts in Oxygen Reduction Reaction journal March 2018
Electrocatalysts for Hydrogen Oxidation Reaction in Alkaline Electrolytes journal May 2018
Reaction Mechanism for Oxygen Reduction on Platinum: Existence of a Fast Initial Chemical Step and a Soluble Species Different from H 2 O 2 journal July 2018
Oxygen Reduction on Platinum Surfaces in Acid Media: Experimental Evidence of a CECE/DISP Initial Reaction Path journal January 2019
pH Effects on Hydrogen Evolution and Oxidation over Pt(111): Insights from First-Principles journal May 2019
Degradation of Carbon-Supported Platinum-Group-Metal Electrocatalysts in Alkaline Media Studied by in Situ Fourier Transform Infrared Spectroscopy and Identical-Location Transmission Electron Microscopy journal May 2019
Rh and Rh Alloy Nanoparticles as Highly Active H 2 Oxidation Catalysts for Alkaline Fuel Cells journal April 2019
Theoretical Resolution of the Exceptional Oxygen Reduction Activity of Au(100) in Alkaline Media journal May 2019
Stability Limits of Ni-Based Hydrogen Oxidation Electrocatalysts for Anion Exchange Membrane Fuel Cells journal June 2019
The Role of Ru in Improving the Activity of Pd toward Hydrogen Evolution and Oxidation Reactions in Alkaline Solutions journal September 2019
Transition Metal Atoms Embedded in Graphene: How Nitrogen Doping Increases CO Oxidation Activity journal June 2019
Understanding Active Sites in Pyrolyzed Fe–N–C Catalysts for Fuel Cell Cathodes by Bridging Density Functional Theory Calculations and 57 Fe Mössbauer Spectroscopy journal September 2019
A Challenge to the G ∼ 0 Interpretation of Hydrogen Evolution journal November 2019
Methanol Oxidation Using Ternary Ordered Intermetallic Electrocatalysts: A DEMS Study journal December 2019
Reaction Mechanism of Vapor-Phase Formic Acid Decomposition over Platinum Catalysts: DFT, Reaction Kinetics Experiments, and Microkinetic Modeling journal March 2020
Enhancing the Electrocatalytic Activity of Pd/M (M = Ni, Mn) Nanoparticles for the Oxygen Reduction Reaction in Alkaline Media through Electrochemical Dealloying journal April 2020
Multifunctional Electrocatalysts: Ru–M (M = Co, Ni, Fe) for Alkaline Fuel Cells and Electrolyzers journal March 2020
Orientation-Dependent Oxygen Evolution on RuO 2 without Lattice Exchange journal March 2017
Boosting Fuel Cell Performance with Accessible Carbon Mesopores journal February 2018
Atomically Dispersed Iron–Nitrogen Active Sites within Porphyrinic Triazine-Based Frameworks for Oxygen Reduction Reaction in Both Alkaline and Acidic Media journal March 2018
High-Loading Composition-Tolerant Co–Mn Spinel Oxides with Performance beyond 1 W/cm 2 in Alkaline Polymer Electrolyte Fuel Cells journal May 2019
Interfacial Sites between Cobalt Nitride and Cobalt Act as Bifunctional Catalysts for Hydrogen Electrochemistry journal June 2019
Protocol for the Quantitative Assessment of Organic Cation Stability for Polymer Electrolytes journal June 2019
Boosting Hydrogen Transfer during Volmer Reaction at Oxides/Metal Nanocomposites for Efficient Alkaline Hydrogen Evolution journal October 2019
Living Vinyl Addition Polymerization of Substituted Norbornenes by a t -Bu 3 P-Ligated Methylpalladium Complex journal February 2015
Fluorene-Based Hydroxide Ion Conducting Polymers for Chemically Stable Anion Exchange Membrane Fuel Cells journal April 2015
Robust Hydroxide Ion Conducting Poly(biphenyl alkylene)s for Alkaline Fuel Cell Membranes journal July 2015
Poly(terphenylene) Anion Exchange Membranes: The Effect of Backbone Structure on Morphology and Membrane Property journal April 2017
Cationic Polyelectrolytes, Stable in 10 M KOH aq at 100 °C journal September 2017
Practical ex-Situ Technique To Measure the Chemical Stability of Anion-Exchange Membranes under Conditions Simulating the Fuel Cell Environment journal January 2020
Synergistic Bimetallic Metallic Organic Framework-Derived Pt–Co Oxygen Reduction Electrocatalysts journal September 2020
Experimental Observation of Redox-Induced Fe–N Switching Behavior as a Determinant Role for Oxygen Reduction Activity journal October 2015
Brush-Like Cobalt Nitride Anchored Carbon Nanofiber Membrane: Current Collector-Catalyst Integrated Cathode for Long Cycle Li–O 2 Batteries journal December 2017
Two-Dimensional MoS 2 Confined Co(OH) 2 Electrocatalysts for Hydrogen Evolution in Alkaline Electrolytes journal April 2018
Golden Palladium Zinc Ordered Intermetallics as Oxygen Reduction Electrocatalysts journal April 2019
Present and Future of Surface-Enhanced Raman Scattering journal September 2019
Noble-Metal-Free Iron Nitride/Nitrogen-Doped Graphene Composite for the Oxygen Reduction Reaction journal January 2019
PEMFC Catalyst Layers: The Role of Micropores and Mesopores on Water Sorption and Fuel Cell Activity journal May 2011
Effects of Substituents and Substitution Positions on Alkaline Stability of Imidazolium Cations and Their Corresponding Anion-Exchange Membranes journal March 2014
Directly-Grown and Square-Patterned Arrays of Metal Oxide Nanowires for High-Performance Catalyst Support Platforms journal November 2014
Covalent Entrapment of Cobalt–Iron Sulfides in N-Doped Mesoporous Carbon: Extraordinary Bifunctional Electrocatalysts for Oxygen Reduction and Evolution Reactions journal January 2015
On the Micro-, Meso-, and Macroporous Structures of Polymer Electrolyte Membrane Fuel Cell Catalyst Layers journal January 2010
X-ray Standing Waves and Surface EXAFS Studies of Electrochemical Interfaces journal June 1995
Strong metal-support interactions journal November 1987
Structure and Dynamics of OH - (aq) journal February 2006
Computer Simulation of Proton Solvation and Transport in Aqueous and Biomolecular Systems journal February 2006
Designing Advanced Alkaline Polymer Electrolytes for Fuel Cell Applications journal October 2011
Recent Advances in First Principles Computational Research of Cathode Materials for Lithium-Ion Batteries journal April 2012
Hierarchical Nanostructured Carbons with Meso–Macroporosity: Design, Characterization, and Applications journal December 2012
A Universal Approach to Solvation Modeling journal June 2008
Mesoporous Chromium Nitride as High Performance Catalyst Support for Methanol Electrooxidation journal April 2013
Alkaline Stable C2-Substituted Imidazolium-Based Anion-Exchange Membranes journal April 2013
Fuel Cell Catalyst Layers: A Polymer Science Perspective journal July 2013
Mesoporous Ti 0.5 Nb 0.5 N Ternary Nitride as a Novel Noncarbon Support for Oxygen Reduction Reaction in Acid and Alkaline Electrolytes journal September 2013
Alkaline Stability of Benzyl Trimethyl Ammonium Functionalized Polyaromatics: A Computational and Experimental Study journal September 2014
MnO 2 -Based Nanostructures as Catalysts for Electrochemical Oxygen Reduction in Alkaline Media † journal February 2010
Chemical Vapor Deposition Based Synthesis of Carbon Nanotubes and Nanofibers Using a Template Method journal January 1998
Platinum and Palladium Films Obtained by Low-Temperature MOCVD for the Formation of Small Particles on Divided Supports as Catalytic Materials journal February 2000
Approximate density functional theory as a practical tool in molecular energetics and dynamics journal July 1991
Optical second harmonic generation as a probe of surface chemistry journal January 1994
Molecular Interactions in Solution: An Overview of Methods Based on Continuous Distributions of the Solvent journal November 1994
X-ray Absorption Spectroscopy of Low Temperature Fuel Cell Catalysts journal October 2004
Modeling Transport in Polymer-Electrolyte Fuel Cells journal October 2004
Scientific Aspects of Polymer Electrolyte Fuel Cell Durability and Degradation journal October 2007
Noncarbon Support Materials for Polymer Electrolyte Membrane Fuel Cell Electrocatalysts journal December 2011
Reactivity of Surface Species in Heterogeneous Catalysts Probed by In Situ X-ray Absorption Techniques journal February 2013
Metal-Free Catalysts for Oxygen Reduction Reaction journal May 2015
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Aqueous Basic Solutions: Hydroxide Solvation, Structural Diffusion, and Comparison to the Hydrated Proton journal April 2010
Quantum Mechanical Continuum Solvation Models journal August 2005
Electrocatalytic Activity and Stability of Titania-Supported Platinum–Palladium Electrocatalysts for Polymer Electrolyte Membrane Fuel Cell journal April 2012
Electrochemical Oxidation of Size-Selected Pt Nanoparticles Studied Using in Situ High-Energy-Resolution X-ray Absorption Spectroscopy journal September 2012
Theoretical Analysis of Transition-Metal Catalysts for Formic Acid Decomposition journal March 2014
Composite Electrode Boosts the Activity of Ba 0.5 Sr 0.5 Co 0.8 Fe 0.2 O 3-δ Perovskite and Carbon toward Oxygen Reduction in Alkaline Media journal March 2014
Effect of Transition Metals on the Structure and Performance of the Doped Carbon Catalysts Derived From Polyaniline and Melamine for ORR Application journal September 2014
First Principles Simulations of the Infrared Spectrum of Liquid Water Using Hybrid Density Functionals journal March 2011
Structural and Vibrational Properties of Liquid Water from van der Waals Density Functionals journal August 2011
Structure and Dynamics of Liquid Water from ab Initio Molecular Dynamics—Comparison of BLYP, PBE, and revPBE Density Functionals with and without van der Waals Corrections journal March 2012
Development of a “First Principles” Water Potential with Flexible Monomers: Dimer Potential Energy Surface, VRT Spectrum, and Second Virial Coefficient journal November 2013
Static and Dynamical Properties of Liquid Water from First Principles by a Novel Car−Parrinello-like Approach journal January 2009
AM05 Density Functional Applied to the Water Molecule, Dimer, and Bulk Liquid journal March 2009
Energy in the Age of Sustainability journal October 2013
Excellent Durability of Substoichiometric Titanium Oxide As a Catalyst Support for Pd in Alkaline Direct Ethanol Fuel Cells journal February 2012
Oxygen Reduction on Platinum Low-Index Single-Crystal Surfaces in Sulfuric Acid Solution: Rotating Ring-Pt(hkl) Disk Studies journal March 1995
Ab Initio Molecular Dynamics Simulation of the Solvation and Transport of H3O+ and OH- Ions in Water journal April 1995
Mechanism of oxygen evolution on perovskites journal July 1983
The missing term in effective pair potentials journal November 1987
Is there any beam yet? Uses of synchrotron radiation in the in situ study of electrochemical interfaces journal December 1988
Kinetic isotope effects in the hydrogen electrode reaction journal July 1968
The Role of Hydrogen Peroxide in the Reduction of Oxygen at Platinum Electrodes journal November 1966
Surface protonation and electrochemical activity of oxides in aqueous solution journal March 1990
A molecular orbital study of strong metal-support interaction between platinum and titanium dioxide journal May 1979
The Electronic Structures of Octahedral Metal Complexes. I. Metal Hexacarbonyls and Hexacyanides journal October 1963
Adsorption and Dissociation of O2 on Pt−Co and Pt−Fe Alloys journal March 2004
Water at a Hydrophilic Solid Surface Probed by Ab initio Molecular Dynamics:  Inhomogeneous Thin Layers of Dense Fluid journal May 2005
Oxygen Electroreduction through a Superoxide Intermediate on Bi-Modified Au Surfaces journal April 2005
Superoxide Anion is the Intermediate in the Oxygen Reduction Reaction on Platinum Electrodes journal June 2006
Evidence of Water Reorientation on Model Electrocatalytic Surfaces from Nanosecond-Laser-Pulsed Experiments journal March 2008
Truncated Octahedral Pt 3 Ni Oxygen Reduction Reaction Electrocatalysts journal April 2010
Structure and Valency of a Cobalt−Phosphate Water Oxidation Catalyst Determined by in Situ X-ray Spectroscopy journal October 2010
Promotion of the Oxidation of Carbon Monoxide at Stepped Platinum Single-Crystal Electrodes in Alkaline Media by Lithium and Beryllium Cations journal November 2010
Tuning the Activity of Pt(111) for Oxygen Electroreduction by Subsurface Alloying
  • Stephens, Ifan E. L.; Bondarenko, Alexander S.; Perez-Alonso, Francisco J.
  • Journal of the American Chemical Society, Vol. 133, Issue 14 https://doi.org/10.1021/ja111690g
journal April 2011
Enhanced Activity of Gold-Supported Cobalt Oxide for the Electrochemical Evolution of Oxygen journal April 2011
Nanostructured Ti 0.7 Mo 0.3 O 2 Support Enhances Electron Transfer to Pt: High-Performance Catalyst for Oxygen Reduction Reaction journal August 2011
Copper Nitride Nanocubes: Size-Controlled Synthesis and Application as Cathode Catalyst in Alkaline Fuel Cells journal October 2011
Carbon Dioxide Capture from the Air Using a Polyamine Based Regenerable Solid Adsorbent journal December 2011
In Situ Electrochemical X-ray Absorption Spectroscopy of Oxygen Reduction Electrocatalysis with High Oxygen Flux journal December 2011
Covalent Hybrid of Spinel Manganese–Cobalt Oxide and Graphene as Advanced Oxygen Reduction Electrocatalysts journal February 2012
Atomic Ensemble and Electronic Effects in Ag-Rich AgPd Nanoalloy Catalysts for Oxygen Reduction in Alkaline Media journal May 2012
Phosphonium-Functionalized Polyethylene: A New Class of Base-Stable Alkaline Anion Exchange Membranes journal October 2012
Nitrogen-Doped Colloidal Graphene Quantum Dots and Their Size-Dependent Electrocatalytic Activity for the Oxygen Reduction Reaction journal November 2012
In Situ X-ray Absorption Spectroscopy Investigation of a Bifunctional Manganese Oxide Catalyst with High Activity for Electrochemical Water Oxidation and Oxygen Reduction journal June 2013
Pseudo-Single-Crystal Electrochemistry on Polycrystalline Electrodes: Visualizing Activity at Grains and Grain Boundaries on Platinum for the Fe 2+ /Fe 3+ Redox Reaction journal February 2013
Size Specifically High Activity of Ru Nanoparticles for Hydrogen Oxidation Reaction in Alkaline Electrolyte journal May 2013
An Investigation of Thin-Film Ni–Fe Oxide Catalysts for the Electrochemical Evolution of Oxygen journal August 2013
Platinum-Coated Copper Nanowires with High Activity for Hydrogen Oxidation Reaction in Base journal August 2013
Dynamics of Soft Nanomaterials Captured by Transmission Electron Microscopy in Liquid Water journal January 2014
An Electrochemical Quartz Crystal Microbalance Study of a Prospective Alkaline Anion Exchange Membrane Material for Fuel Cells: Anion Exchange Dynamics and Membrane Swelling journal March 2014
Pt Skin on AuCu Intermetallic Substrate: A Strategy to Maximize Pt Utilization for Fuel Cells journal June 2014
Structure–Property Relationship of Bifunctional MnO 2 Nanostructures: Highly Efficient, Ultra-Stable Electrochemical Water Oxidation and Oxygen Reduction Reaction Catalysts Identified in Alkaline Media journal August 2014
Thermal Conversion of Core–Shell Metal–Organic Frameworks: A New Method for Selectively Functionalized Nanoporous Hybrid Carbon journal January 2015
Identification of Highly Active Fe Sites in (Ni,Fe)OOH for Electrocatalytic Water Splitting journal January 2015
Modeling Ethanol Decomposition on Transition Metals: A Combined Application of Scaling and Brønsted−Evans−Polanyi Relations journal April 2009
In Situ and Real-Time Monitoring of Oxide Growth in a Few Monolayers at Surfaces of Platinum Nanoparticles in Aqueous Media journal May 2009
Degree of Rate Control: How Much the Energies of Intermediates and Transition States Control Rates journal June 2009
Structure Sensitivity of Methanol Electrooxidation on Transition Metals journal October 2009
Development of a Titanium Dioxide-Supported Platinum Catalyst with Ultrahigh Stability for Polymer Electrolyte Membrane Fuel Cell Applications journal October 2009
A Ring-Opening Metathesis Polymerization Route to Alkaline Anion Exchange Membranes: Development of Hydroxide-Conducting Thin Films from an Ammonium-Functionalized Monomer journal September 2009
In Situ Characterization of the 5d Density of States of Pt Nanoparticles upon Adsorption of CO journal March 2010
Tunable High Performance Cross-Linked Alkaline Anion Exchange Membranes for Fuel Cell Applications journal March 2010
pH-Dependent Hydrogen and Water Binding Energies on Platinum Surfaces as Directly Probed through Surface-Enhanced Infrared Absorption Spectroscopy journal April 2020
Revisiting the Atomistic Structures at the Interface of Au(111) Electrode–Sulfuric Acid Solution journal April 2020
Imidazolium Cations with Exceptional Alkaline Stability: A Systematic Study of Structure–Stability Relationships journal July 2015
Propensity of Hydrated Excess Protons and Hydroxide Anions for the Air–Water Interface journal September 2015
Identical Location Transmission Electron Microscopy Imaging of Site-Selective Pt Nanocatalysts: Electrochemical Activation and Surface Disordering journal November 2015
Atomic Structure of Pt 3 Ni Nanoframe Electrocatalysts by in Situ X-ray Absorption Spectroscopy journal December 2015
Charge Transfer Stabilization of Late Transition Metal Oxide Nanoparticles on a Layered Niobate Support journal December 2015
Transition Metal Nitride Coated with Atomic Layers of Pt as a Low-Cost, Highly Stable Electrocatalyst for the Oxygen Reduction Reaction journal January 2016
Hydroxide Solvation and Transport in Anion Exchange Membranes journal January 2016
Structure of the Photo-catalytically Active Surface of SrTiO 3 journal June 2016
In Situ Coupling of Strung Co 4 N and Intertwined N–C Fibers toward Free-Standing Bifunctional Cathode for Robust, Efficient, and Flexible Zn–Air Batteries journal August 2016
Influence of Surface Adsorption on the Oxygen Evolution Reaction on IrO 2 (110) journal February 2017
Dynamic Stabilization of Metal Oxide–Water Interfaces journal February 2017
Investigating the Influences of the Adsorbed Species on Catalytic Activity for Hydrogen Oxidation Reaction in Alkaline Electrolyte journal March 2017
Surface Proton Transfer Promotes Four-Electron Oxygen Reduction on Gold Nanocrystal Surfaces in Alkaline Solution journal May 2017
IrPdRu/C as H 2 Oxidation Catalysts for Alkaline Fuel Cells journal May 2017
Single Atomic Iron Catalysts for Oxygen Reduction in Acidic Media: Particle Size Control and Thermal Activation journal September 2017
Thermodynamics of Counterion Release Is Critical for Anion Exchange Membrane Conductivity journal May 2018
Explanation of Dramatic pH-Dependence of Hydrogen Binding on Noble Metal Electrode: Greatly Weakened Water Adsorption at High pH journal May 2018
BCC-Phased PdCu Alloy as a Highly Active Electrocatalyst for Hydrogen Oxidation in Alkaline Electrolytes journal November 2018
Measurements of Oxygen Electroadsorption Energies and Oxygen Evolution Reaction on RuO 2 (110): A Discussion of the Sabatier Principle and Its Role in Electrocatalysis journal November 2018
Molecular-Scale Structure of Electrode–Electrolyte Interfaces: The Case of Platinum in Aqueous Sulfuric Acid journal October 2018
Proton Discharge on a Gold Electrode from Triethylammonium in Acetonitrile: Theoretical Modeling of Potential-Dependent Kinetic Isotope Effects journal December 2018
In Situ X-ray Absorption Spectroscopy of a Synergistic Co–Mn Oxide Catalyst for the Oxygen Reduction Reaction journal December 2018
Toward an Atomic-Scale Understanding of Electrochemical Interface Structure and Dynamics journal February 2019
Unifying the Hydrogen Evolution and Oxidation Reactions Kinetics in Base by Identifying the Catalytic Roles of Hydroxyl-Water-Cation Adducts journal January 2019
A Strategy for Increasing the Efficiency of the Oxygen Reduction Reaction in Mn-Doped Cobalt Ferrites journal February 2019
Gold Nanocrystal Etching as a Means of Probing the Dynamic Chemical Environment in Graphene Liquid Cell Electron Microscopy journal February 2019
Metal–Organic-Framework-Derived Co–Fe Bimetallic Oxygen Reduction Electrocatalysts for Alkaline Fuel Cells journal June 2019
Tracking Electrical Fields at the Pt/H 2 O Interface during Hydrogen Catalysis journal August 2019
Theoretical and Experimental Understanding of Hydrogen Evolution Reaction Kinetics in Alkaline Electrolytes with Pt-Based Core–Shell Nanocrystals journal October 2019
Cobalt-Based Nitride-Core Oxide-Shell Oxygen Reduction Electrocatalysts journal November 2019
Surface Composition Dependent Ligand Effect in Tuning the Activity of Nickel–Copper Bimetallic Electrocatalysts toward Hydrogen Evolution in Alkaline journal April 2020
Direct In Situ Raman Spectroscopic Evidence of Oxygen Reduction Reaction Intermediates at High-Index Pt( hkl ) Surfaces journal December 2019
Combinatorial Studies of Palladium-Based Oxygen Reduction Electrocatalysts for Alkaline Fuel Cells journal February 2020
Enhancing the Understanding of Hydrogen Evolution and Oxidation Reactions on Pt(111) through Ab Initio Simulation of Electrode/Electrolyte Kinetics journal March 2020
A Universal Organic Solvation Model journal January 1996
Electrochemical versus Gas-Phase Oxidation of Ru Single-Crystal Surfaces journal June 2000
Characterization of Various Oxygen Species on an Oxide Surface:  RuO 2 (110) † journal May 2001
ReaxFF:  A Reactive Force Field for Hydrocarbons journal October 2001
In-Situ XANES of Carbon-Supported Pt−Ru Anode Electrocatalyst for Reformate-Air Polymer Electrolyte Fuel Cells journal April 2002
Laser-Induced Potential Transients on a Au(111) Single-Crystal Electrode. Determination of the Potential of Maximum Entropy of Double-Layer Formation journal May 2002
Coulostatic Potential Transients Induced by Laser Heating of a Pt(111) Single-Crystal Electrode in Aqueous Acid Solutions. Rate of Hydrogen Adsorption and Potential of Maximum Entropy journal May 2002
Scanning Electrochemical Microscopy:  Investigation of Hydrogen Oxidation at Polycrystalline Noble Metal Electrodes journal June 2003
Effect of Temperature on Hydrogen Adsorption on Pt(111), Pt(110), and Pt(100) Electrodes in 0.1 M HClO 4 journal January 2004
The Reversible Hydrogen Electrode:  Potential-Dependent Activation Energies over Platinum from Quantum Theory journal July 2004
Electric Double Layer at the Rutile (110) Surface. 1. Structure of Surfaces and Interfacial Water from Molecular Dynamics by Use of ab Initio Potentials journal August 2004
Platinum Monolayer Electrocatalysts for O2 Reduction:  Pt Monolayer on Pd(111) and on Carbon-Supported Pd Nanoparticles journal July 2004
Joint Density-Functional Theory:  Ab Initio Study of Cr 2 O 3 Surface Chemistry in Solution journal August 2005
Origin of the Overpotential for Oxygen Reduction at a Fuel-Cell Cathode journal November 2004
Liquid Water from First Principles:  Investigation of Different Sampling Approaches journal August 2004
Electrocatalysis under Conditions of High Mass Transport:  Investigation of Hydrogen Oxidation on Single Submicron Pt Particles Supported on Carbon journal September 2004
The Impact of Geometric and Surface Electronic Properties of Pt-Catalysts on the Particle Size Effect in Electrocatalysis journal August 2005
Thermodynamic Analysis of the Temperature Dependence of OH Adsorption on Pt(111) and Pt(100) Electrodes in Acidic Media in the Absence of Specific Anion Adsorption journal June 2006
Molecular Dynamics Simulation of Liquid Water:  Hybrid Density Functionals † journal March 2006
Heat-Treated Fe/N/C Catalysts for O2 Electroreduction:  Are Active Sites Hosted in Micropores? journal March 2006
Polymer-Assisted Synthesis of Manganese Dioxide/Carbon Nanotube Nanocomposite with Excellent Electrocatalytic Activity toward Reduction of Oxygen journal February 2007
Identification of CO Adsorption Sites in Supported Pt Catalysts Using High-Energy-Resolution Fluorescence Detection X-ray Spectroscopy journal August 2006
Catalytic Activity−d-Band Center Correlation for the O 2 Reduction Reaction on Platinum in Alkaline Solutions journal January 2007
Hydrogen Oxidation and Evolution on Platinum Electrodes in Base:  Theoretical Study journal June 2007
Hydrogen Oxidation Reaction on Pt in Acidic Media:  Adsorption Isotherm and Activation Free Energies journal August 2007
Structure and Bonding of the Water−Hydroxyl Mixed Phase on Pt(111) journal September 2007
Increased Oxygen Coverage at Pt−Fe Alloy Cathode for the Enhanced Oxygen Reduction Reaction Studied by EC−XPS journal January 2008
Cooperativity in Surface Bonding and Hydrogen Bonding of Water and Hydroxyl at Metal Surfaces journal May 2010
The Mechanism of the Hydrogen Ion Conduction in Liquid Light and Heavy Water Derived from the Temperature Dependence of Their Limiting Conductivities journal December 2010
Modeling the Electrochemical Hydrogen Oxidation and Evolution Reactions on the Basis of Density Functional Theory Calculations journal October 2010
Spectroelectrochemical Studies of the Pt(111)/Nafion Interface Cast Electrode journal November 2010
Ab Initio van der Waals Interactions in Simulations of Water Alter Structure from Mainly Tetrahedral to High-Density-Like journal December 2011
Hydroxide Degradation Pathways for Substituted Trimethylammonium Cations: A DFT Study journal April 2012
Adsorption and Electroreduction of Oxygen on Gold in Acidic Media: In Situ Spectroscopic Identification of Adsorbed Molecular Oxygen and Hydrogen Superoxide journal June 2012
X-ray Photoemission and Density Functional Theory Study of the Interaction of Water Vapor with the Fe 3 O 4 (001) Surface at Near-Ambient Conditions journal February 2013
The Effect of Metal Catalyst on the Electrocatalytic Activity of Nitrogen-Doped Carbon Nanotubes journal November 2013
TiC, TiCN, and TiN Supported Pt Electrocatalysts for CO and Methanol Oxidation in Acidic and Alkaline Media journal September 2013
Structure of the Ionomer Film in Catalyst Layers of Proton Exchange Membrane Fuel Cells journal November 2013
Unifying Kinetic and Thermodynamic Analysis of 2 e – and 4 e – Reduction of Oxygen on Metal Surfaces journal March 2014
Elucidating Oxygen Reduction Active Sites in Pyrolyzed Metal–Nitrogen Coordinated Non-Precious-Metal Electrocatalyst Systems journal April 2014
Hydroxide Degradation Pathways for Imidazolium Cations: A DFT Study journal May 2014
Rate Enhancements in Structural Transformations of Pt–Co and Pt–Ni Bimetallic Cathode Catalysts in Polymer Electrolyte Fuel Cells Studied by in Situ Time-Resolved X-ray Absorption Fine Structure journal July 2014
In Situ Liquid Cell TEM Study of Morphological Evolution and Degradation of Pt–Fe Nanocatalysts During Potential Cycling journal September 2014
Electron–Water Interactions and Implications for Liquid Cell Electron Microscopy journal September 2014
Structure of Water at the Electrified Platinum−Water Interface:  A Study by Surface-Enhanced Infrared Absorption Spectroscopy journal February 2008
Mechanism of Tetraalkylammonium Headgroup Degradation in Alkaline Fuel Cell Membranes journal March 2008
A Model for Proton Transfer to Metal Electrodes journal June 2008
Theoretical Formulation of Nonadiabatic Electrochemical Proton-Coupled Electron Transfer at Metal−Solution Interfaces
  • Venkataraman, Charulatha; Soudackov, Alexander V.; Hammes-Schiffer, Sharon
  • The Journal of Physical Chemistry C, Vol. 112, Issue 32 https://doi.org/10.1021/jp802171y
journal July 2008
Proton-Coupled Electron Transfer in Solution, Proteins, and Electrochemistry † journal November 2008
A Study of the Catalytic Interface for O 2 Electroreduction on Pt: The Interaction between Carbon Support Meso/Microstructure and Ionomer (Nafion) Distribution journal December 2008
Importance of van der Waals Interactions in Liquid Water journal January 2009
Progress in Ab Initio QM/MM Free-Energy Simulations of Electrostatic Energies in Proteins: Accelerated QM/MM Studies of p K a , Redox Reactions and Solvation Free Energies † journal February 2009
Potential-Dependent Water Orientation on Pt(111), Pt(100), and Pt(110), As Inferred from Laser-Pulsed Experiments. Electrostatic and Chemical Effects journal May 2009
Classical Density-Functional Theory of Inhomogeneous Water Including Explicit Molecular Structure and Nonlinear Dielectric Response journal February 2010
Isobaric−Isothermal Molecular Dynamics Simulations Utilizing Density Functional Theory: An Assessment of the Structure and Density of Water at Near-Ambient Conditions journal September 2009
Highly Active Nitrogen-Doped Carbon Nanotubes for Oxygen Reduction Reaction in Fuel Cell Applications journal August 2009
Water Adsorption on α-Fe 2 O 3 (0001) at near Ambient Conditions journal January 2010
Density Functional Theory Study of Degradation of Tetraalkylammonium Hydroxides journal June 2010
Oxygen Reduction on Platinum Low-Index Single-Crystal Surfaces in Alkaline Solution:  Rotating Ring Disk Pt( hkl ) Studies journal April 1996
Potential-Dependent Reorientation of Water Molecules at an Electrode/Electrolyte Interface Studied by Surface-Enhanced Infrared Absorption Spectroscopy journal January 1996
Temperature-Dependent Hydrogen Electrochemistry on Platinum Low-Index Single-Crystal Surfaces in Acid Solutions journal July 1997
Multistate Empirical Valence Bond Model for Proton Transport in Water journal July 1998
Electrochemical and Spectroscopic Studies of Hydroxide Adsorption at the Au(111) Electrode journal January 1999
Dependence of the Potential of Zero Charge of Stepped Platinum (111) Electrodes on the Oriented Step-Edge Density:  Electrochemical Implications and Comparison with Work Function Behavior journal January 2000
In Search of the Active Site in Nitrogen-Doped Carbon Nanotube Electrodes for the Oxygen Reduction Reaction journal August 2010
Pt-Covered Multiwall Carbon Nanotubes for Oxygen Reduction in Fuel Cell Applications journal May 2011
Effects of Li + , K + , and Ba 2+ Cations on the ORR at Model and High Surface Area Pt and Au Surfaces in Alkaline Solutions journal October 2011
Bulk Liquid Water at Ambient Temperature and Pressure from MP2 Theory journal October 2013
Role of Strain and Conductivity in Oxygen Electrocatalysis on LaCoO 3 Thin Films journal January 2015
Preparation and Characterization of Platinum-Based Electrocatalysts on Multiwalled Carbon Nanotubes for Proton Exchange Membrane Fuel Cells journal May 2002
Palladium Monolayer and Palladium Alloy Electrocatalysts for Oxygen Reduction † journal December 2006
Carbon Nanotubes Contain Residual Metal Catalyst Nanoparticles even after Washing with Nitric Acid at Elevated Temperature Because These Metal Nanoparticles Are Sheathed by Several Graphene Sheets journal May 2007
Electrochemical Quartz Crystal Microbalance Analysis of the Oxygen Reduction Reaction on Pt-Based Electrodes. Part 1: Effect of Adsorbed Anions on the Oxygen Reduction Activities of Pt in HF, HClO 4 , and H 2 SO 4 Solutions journal May 2011
Identification and Quantification of Oxygen Species Adsorbed on Pt(111) Single-Crystal and Polycrystalline Pt Electrodes by Photoelectron Spectroscopy journal February 2009
Methanol Electrooxidation on PtRu Bulk Alloys and Carbon-Supported PtRu Nanoparticle Catalysts: A Quantitative DEMS Study journal July 2009
Growth Mode Transition Involving a Potential-Dependent Isotropic to Anisotropic Surface Atom Diffusion Change. Gold Electrodeposition on HOPG followed by STM journal January 1997
Metal-Nanocluster-Filled Carbon Nanotubes:  Catalytic Properties and Possible Applications in Electrochemical Energy Storage and Production journal January 1999
Characteristics of Self-Assembled Ultrathin Nafion Films journal April 2013
Highly Stable N3-Substituted Imidazolium-Based Alkaline Anion Exchange Membranes: Experimental Studies and Theoretical Calculations journal December 2013
Cationic Polymerization of Norbornene Derivatives in the Presence of Boranes journal August 2014
Quantitative 1 H NMR Analysis of Chemical Stabilities in Anion-Exchange Membranes journal December 2012
Relationships between Structure and Alkaline Stability of Imidazolium Cations for Fuel Cell Membrane Applications journal January 2014
Hydroxide-Stable Ionenes journal April 2014
Morphology of Hydrated As-Cast Nafion Revealed through Cryo Electron Tomography journal December 2014
Three-Dimensional Tracking and Visualization of Hundreds of Pt−Co Fuel Cell Nanocatalysts During Electrochemical Aging journal January 2012
Nanoscale Imaging of Lithium Ion Distribution During In Situ Operation of Battery Electrode and Electrolyte journal February 2014
Atomic Layer-by-Layer Deposition of Pt on Pd Nanocubes for Catalysts with Enhanced Activity and Durability toward Oxygen Reduction journal May 2014
Nanoscale Imaging of Fundamental Li Battery Chemistry: Solid-Electrolyte Interphase Formation and Preferential Growth of Lithium Metal Nanoclusters journal February 2015
Catalyst-Free Synthesis of Nitrogen-Doped Graphene via Thermal Annealing Graphite Oxide with Melamine and Its Excellent Electrocatalysis journal May 2011
Syntheses and Structures of Bulky Monophosphine-Ligated Methylpalladium Complexes:  Application to Homo- and Copolymerization of Norbornene and/or Methoxycarbonylnorbornene journal September 2006
Modelling the PEM fuel cell cathode journal March 1997
The protean proton in water journal February 1999
The nature of the hydrated excess proton in water journal February 1999
A New Fuel Cell Cathode Catalyst journal March 1964
Low-cost Oxygen Electrode Material journal May 1970
Anomalous H+ and D+ conductance in H2O–D2O mixtures journal August 1990
Ordered nanoporous arrays of carbon supporting high dispersions of platinum nanoparticles journal July 2001
Voltage-dependent ordering of water molecules at an electrode–electrolyte interface journal March 1994
Carbon-based metal-free catalysts journal September 2016
The nature and transport mechanism of hydrated hydroxide ions in aqueous solution journal June 2002
Soft X-ray microscopy at a spatial resolution better than 15 nm journal June 2005
A class of non-precious metal composite catalysts for fuel cells journal September 2006
Electrocatalyst approaches and challenges for automotive fuel cells journal June 2012
Design principles for oxygen-reduction activity on perovskite oxide catalysts for fuel cells and metal–air batteries journal June 2011
Improving the hydrogen oxidation reaction rate by promotion of hydroxyl adsorption journal February 2013
A basic solution journal March 2013
Accurate first-principles structures and energies of diversely bonded systems from an efficient density functional journal June 2016
Activating lattice oxygen redox reactions in metal oxides to catalyse oxygen evolution journal January 2017
Pt/Cu single-atom alloys as coke-resistant catalysts for efficient C–H activation journal January 2018
The role of non-covalent interactions in electrocatalytic fuel-cell reactions on platinum journal August 2009
Rapid room-temperature synthesis of nanocrystalline spinels as oxygen reduction and evolution electrocatalysts journal December 2010
Nickel supported on nitrogen-doped carbon nanotubes as hydrogen oxidation reaction catalyst in alkaline electrolyte journal January 2016
Water electrolysis on La1−xSrxCoO3−δ perovskite electrocatalysts journal March 2016
Unravelling the electrochemical double layer by direct probing of the solid/liquid interface journal August 2016
In situ electrochemical quantification of active sites in Fe–N/C non-precious metal catalysts journal October 2016
Iron-based cathode catalyst with enhanced power density in polymer electrolyte membrane fuel cells journal August 2011
Active and stable carbon nanotube/nanoparticle composite electrocatalyst for oxygen reduction journal May 2013
Double perovskites as a family of highly active catalysts for oxygen evolution in alkaline solution journal September 2013
Direct observation of the oxygenated species during oxygen reduction on a platinum fuel cell cathode journal December 2013
Functional links between stability and reactivity of strontium ruthenate single crystals during oxygen evolution journal June 2014
Concentration and chemical-state profiles at heterogeneous interfaces with sub-nm accuracy from standing-wave ambient-pressure photoemission journal November 2014
Correlating hydrogen oxidation and evolution activity on platinum at different pH with measured hydrogen binding energy journal January 2015
Highly active oxygen reduction non-platinum group metal electrocatalyst without direct metal–nitrogen coordination journal June 2015
Phase and composition controllable synthesis of cobalt manganese spinel nanoparticles towards efficient oxygen electrocatalysis journal June 2015
Palladium–platinum core-shell icosahedra with substantially enhanced activity and durability towards oxygen reduction journal July 2015
Rational design of redox mediators for advanced Li–O2 batteries journal May 2016
Interfacial water reorganization as a pH-dependent descriptor of the hydrogen evolution rate on platinum electrodes journal March 2017
Alloy catalysts designed from first principles journal October 2004
Computational high-throughput screening of electrocatalytic materials for hydrogen evolution journal October 2006
Structure and bonding at the atomic scale by scanning transmission electron microscopy journal April 2009
Coherent X-ray diffraction imaging of strain at the nanoscale journal April 2009
A one-dimensional ice structure built from pentagons journal March 2009
Co3O4 nanocrystals on graphene as a synergistic catalyst for oxygen reduction reaction journal August 2011
A molecular perspective of water at metal interfaces journal July 2012
Quantum many-body interactions in digital oxide superlattices journal August 2012
Structurally ordered intermetallic platinum–cobalt core–shell nanoparticles with enhanced activity and stability as oxygen reduction electrocatalysts journal October 2012
Enabling direct H2O2 production through rational electrocatalyst design journal November 2013
Three-dimensional imaging of dislocation propagation during crystal growth and dissolution journal June 2015
Identification of catalytic sites for oxygen reduction in iron- and nitrogen-doped graphene materials journal August 2015
Proton transfer dynamics control the mechanism of O2 reduction by a non-precious metal electrocatalyst journal May 2016
Energy and fuels from electrochemical interfaces journal December 2016
Dynamic microscopy of nanoscale cluster growth at the solid–liquid interface journal July 2003
Coherent lensless X-ray imaging journal November 2010
Nanoscale X-ray imaging journal December 2010
Designing solid-liquid interphases for sodium batteries journal October 2017
Identification of catalytic sites in cobalt-nitrogen-carbon materials for the oxygen reduction reaction journal October 2017
Tailoring manganese oxide with atomic precision to increase surface site availability for oxygen reduction catalysis journal October 2018
Interfacing nickel nitride and nickel boosts both electrocatalytic hydrogen evolution and oxidation reactions journal October 2018
Effect of hydrophobic cations on the oxygen reduction reaction on single‒crystal platinum electrodes journal November 2018
Synergistic Mn-Co catalyst outperforms Pt on high-rate oxygen reduction for alkaline polymer electrolyte fuel cells journal April 2019
Poly(bis-arylimidazoliums) possessing high hydroxide ion exchange capacity and high alkaline stability journal May 2019
Directly transforming copper (I) oxide bulk into isolated single-atom copper sites catalyst through gas-transport approach journal August 2019
Surpassing the single-atom catalytic activity limit through paired Pt-O-Pt ensemble built from isolated Pt1 atoms journal August 2019
Universal scaling relations for the rational design of molecular water oxidation catalysts with near-zero overpotential journal November 2019
Ultrastable Au nanoparticles on titania through an encapsulation strategy under oxidative atmosphere journal December 2019
Turning main-group element magnesium into a highly active electrocatalyst for oxygen reduction reaction journal February 2020
Imaging electrochemically synthesized Cu2O cubes and their morphological evolution under conditions relevant to CO2 electroreduction journal July 2020
Using operando techniques to understand and design high performance and stable alkaline membrane fuel cells journal July 2020
Bimetallic nickel-molybdenum/tungsten nanoalloys for high-efficiency hydrogen oxidation catalysis in alkaline electrolytes journal September 2020
A pyridinic Fe-N4 macrocycle models the active sites in Fe/N-doped carbon electrocatalysts journal October 2020
A highly-active, stable and low-cost platinum-free anode catalyst based on RuNi for hydroxide exchange membrane fuel cells journal November 2020
Plasticiser loss from plastic or rubber products through diffusion and evaporation journal April 2019
Hydroxide diffuses slower than hydronium in water because its solvated structure inhibits correlated proton transfer journal March 2018
Nucleation of dislocations and their dynamics in layered oxide cathode materials during battery charging journal July 2018
In situ Raman spectroscopic evidence for oxygen reduction reaction intermediates at platinum single-crystal surfaces journal December 2018
Poly(aryl piperidinium) membranes and ionomers for hydroxide exchange membrane fuel cells journal April 2019
Water balancing journal January 2020
The role of adsorbed hydroxide in hydrogen evolution reaction kinetics on modified platinum journal October 2020
In situ probing electrified interfacial water structures at atomically flat surfaces journal April 2019
Diffraction imaging of nanocrystalline structures in organic semiconductor molecular thin films journal June 2019
Ionomer distribution control in porous carbon-supported catalyst layers for high-power and low Pt-loaded proton exchange membrane fuel cells journal September 2019
Spatial and temporal exploration of heterogeneous catalysts with synchrotron radiation journal August 2018
Resolution and aberration correction in liquid cell transmission electron microscopy journal December 2018
Wetting Induced Oxidation of Pt-based Nano Catalysts Revealed by In Situ High Energy Resolution X-ray Absorption Spectroscopy journal May 2017
How strain can break the scaling relations of catalysis journal April 2018
A universal principle for a rational design of single-atom electrocatalysts journal April 2018
Atomically dispersed manganese catalysts for oxygen reduction in proton-exchange membrane fuel cells journal October 2018
Identification of the active complex for CO oxidation over single-atom Ir-on-MgAl2O4 catalysts journal December 2018
Catalysts for fuel cell transportation and hydrogen related uses journal July 2019
Strategies to break linear scaling relationships journal October 2019
Tracking the formation, fate and consequence for catalytic activity of Pt single sites on CeO2 journal September 2020
Lattice-confined Ru clusters with high CO tolerance and activity for the hydrogen oxidation reaction journal April 2020
Operando identification of site-dependent water oxidation activity on ruthenium dioxide single-crystal surfaces journal May 2020
Structure dependency of the atomic-scale mechanisms of platinum electro-oxidation and dissolution journal August 2020
Insight on Tafel slopes from a microkinetic analysis of aqueous electrocatalysis for energy conversion journal September 2015
Investigations of the ex situ ionic conductivities at 30 °C of metal-cation-free quaternary ammonium alkaline anion-exchange membranes in static atmospheres of different relative humidities journal January 2007
Super-washing does not leave single walled carbon nanotubes iron-free journal January 2007
Novel catalyst support materials for PEM fuel cells: current status and future prospects journal January 2009
In situATR-FTIR study of oxygenreduction at the Pt/Nafion interface journal January 2010
In situ X-ray probing reveals fingerprints of surface platinum oxide journal January 2011
Lithium and sodium battery cathode materials: computational insights into voltage, diffusion and nanostructural properties journal January 2014
Constructing ionic highway in alkaline polymer electrolytes journal January 2014
An overview of metal oxide materials as electrocatalysts and supports for polymer electrolyte fuel cells journal January 2014
Non-precious metal electrocatalysts with high activity for hydrogen oxidation reaction in alkaline electrolytes journal January 2014
Real-time imaging and local elemental analysis of nanostructures in liquids journal January 2014
Mechanistic and kinetic implications on the ORR on a Au(100) electrode: pH, temperature and H–D kinetic isotope effects journal January 2014
HERFD-XAS and valence-to-core-XES: new tools to push the limits in research with hard X-rays? journal January 2014
Nickel–silver alloy electrocatalysts for hydrogen evolution and oxidation in an alkaline electrolyte journal January 2014
New insights into the electrochemical hydrogen oxidation and evolution reaction mechanism journal January 2014
Anion-exchange membranes in electrochemical energy systems journal January 2014
Pt–Ru catalyzed hydrogen oxidation in alkaline media: oxophilic effect or electronic effect? journal January 2015
Toward the rational design of non-precious transition metal oxides for oxygen electrocatalysis journal January 2015
Highly graphitized nitrogen-doped porous carbon nanopolyhedra derived from ZIF-8 nanocrystals as efficient electrocatalysts for oxygen reduction reactions journal January 2014
Pt nanoparticles on tin oxide based support as a beneficial catalyst for oxygen reduction in alkaline solutions journal January 2015
Oxygen evolution on well-characterized mass-selected Ru and RuO 2 nanoparticles journal January 2015
A solvent evaporation plus hydrogen reduction method to synthesize IrNi/C catalysts for hydrogen oxidation journal January 2014
Unexplained transport resistances for low-loaded fuel-cell catalyst layers journal January 2014
Mechanistic analysis of ammonium cation stability for alkaline exchange membrane fuel cells journal January 2014
Structural snapshots of the SCR reaction mechanism on Cu-SSZ-13 journal January 2015
Electron beam induced chemistry of gold nanoparticles in saline solution journal January 2015
Low loadings of platinum on transition metal carbides for hydrogen oxidation and evolution reactions in alkaline electrolytes journal January 2016
Reactive force fields made simple journal January 2015
Transient study of the oxygen reduction reaction on reduced Pt and Pt alloys microelectrodes: evidence for the reduction of pre-adsorbed oxygen species linked to dissolved oxygen journal January 2015
The application of graphene and its composites in oxygen reduction electrocatalysis: a perspective and review of recent progress journal January 2016
The bifurcation point of the oxygen reduction reaction on Au–Pd nanoalloys journal January 2016
Carbon nanotubes-gold nanohybrid as potent electrocatalyst for oxygen reduction in alkaline media journal January 2015
Cobalt nitrides as a class of metallic electrocatalysts for the oxygen evolution reaction journal January 2016
A review on recent developments of anion exchange membranes for fuel cells and redox flow batteries journal January 2015
Enhanced electrocatalytic activity of nitrogen-doped multi-walled carbon nanotubes towards the oxygen reduction reaction in alkaline media journal January 2015
Quantum chemical approach for highly durable anion exchange groups in solid-state alkaline fuel cells journal January 2016
Iron oxide/oxyhydroxide decorated graphene oxides for oxygen reduction reaction catalysis: a comparison study journal January 2016
Linear scaling relationships and volcano plots in homogeneous catalysis – revisiting the Suzuki reaction journal January 2015
Highly stable anion exchange membranes based on quaternized polypropylene journal January 2015
Binary transition metal nitrides with enhanced activity and durability for the oxygen reduction reaction journal January 2015
Hyper-branched anion exchange membranes with high conductivity and chemical stability journal January 2016
CeO 2 -modified α-MoO 3 nanorods as a synergistic support for Pt nanoparticles with enhanced CO ads tolerance during methanol oxidation journal January 2017
Toward full simulation of the electrochemical oxygen reduction reaction on Pt using first-principles and kinetic calculations journal January 2017
An optimised synthesis of high performance radiation-grafted anion-exchange membranes journal January 2017
Cobaltocenium-containing polybenzimidazole polymers for alkaline anion exchange membrane applications journal January 2017
Effect of catalyst carbon supports on the oxygen reduction reaction in alkaline media: a comparative study journal January 2016
Spirocyclic quaternary ammonium cations for alkaline anion exchange membrane applications: an experimental and theoretical study journal January 2016
Why conclusions from platinum model surfaces do not necessarily lead to enhanced nanoparticle catalysts for the oxygen reduction reaction journal January 2017
ANI-1: an extensible neural network potential with DFT accuracy at force field computational cost journal January 2017
Highly stable poly(ethylene glycol)-grafted alkaline anion exchange membranes journal January 2016
Improved hydrogen oxidation reaction under alkaline conditions by ruthenium–iridium alloyed nanoparticles journal January 2016
The first anion-exchange membrane fuel cell to exceed 1 W cm −2 at 70 °C with a non-Pt-group (O 2 ) cathode journal January 2017
Probing the charge distribution at the electrochemical interface journal January 2017
How many surface atoms in Co 3 O 4 take part in oxygen evolution? Isotope labeling together with differential electrochemical mass spectrometry journal January 2017
Soft chemistry of ion-exchangeable layered metal oxides journal January 2018
Towards identifying the active sites on RuO 2 (110) in catalyzing oxygen evolution journal January 2017
A novel IrNi@PdIr/C core–shell electrocatalyst with enhanced activity and durability for the hydrogen oxidation reaction in alkaline anion exchange membrane fuel cells journal January 2018
Synthesis and characterization of anion-exchange membranes based on hydrogenated poly(norbornene) journal January 2017
A nickel nanocatalyst within a h-BN shell for enhanced hydrogen oxidation reactions journal January 2017
A comparative study of anion-exchange membranes tethered with different hetero-cycloaliphatic quaternary ammonium hydroxides journal January 2017
Platinum group metal-free NiMo hydrogen oxidation catalysts: high performance and durability in alkaline exchange membrane fuel cells journal January 2017
Robust anion conductive polymers containing perfluoroalkylene and pendant ammonium groups for high performance fuel cells journal January 2017
Radiation-induced grafting of a butyl-spacer styrenic monomer onto ETFE: the synthesis of the most alkali stable radiation-grafted anion-exchange membrane to date journal January 2018
Decoupling the roles of carbon and metal oxides on the electrocatalytic reduction of oxygen on La 1−x Sr x CoO 3−δ perovskite composite electrodes journal January 2019
Beyond catalysis and membranes: visualizing and solving the challenge of electrode water accumulation and flooding in AEMFCs journal January 2018
The Achilles' heel of iron-based catalysts during oxygen reduction in an acidic medium journal January 2018
Rational design of polyaromatic ionomers for alkaline membrane fuel cells with >1 W cm −2 power density journal January 2018
Enhanced water transport in AEMs based on poly(styrene–ethylene–butylene–styrene) triblock copolymer for high fuel cell performance journal January 2019
Relating alkaline stability to the structure of quaternary phosphonium cations journal January 2018
Electronic synergism of pyridinic- and graphitic-nitrogen on N-doped carbons for the oxygen reduction reaction journal January 2019
Nickel–copper supported on a carbon black hydrogen oxidation catalyst integrated into an anion-exchange membrane fuel cell journal January 2018
Tuning the electrocatalytic activity of Pt by structurally ordered PdFe/C for the hydrogen oxidation reaction in alkaline media journal January 2018
Poly(arylene alkylene)s with pendant N -spirocyclic quaternary ammonium cations for anion exchange membranes journal January 2018
A high conductivity ultrathin anion-exchange membrane with 500+ h alkali stability for use in alkaline membrane fuel cells that can achieve 2 W cm −2 at 80 °C journal January 2018
Chemical stability of poly(phenylene oxide)-based ionomers in an anion exchange-membrane fuel cell environment journal January 2018
Ultrathin IrRu nanowire networks with high performance and durability for the hydrogen oxidation reaction in alkaline anion exchange membrane fuel cells journal January 2018
Highly durable spirobifluorene-based aromatic anion conducting polymer for a solid ionomer of alkaline fuel cells and water electrolysis cells journal January 2019
Hydroxide transport and chemical degradation in anion exchange membranes: a combined reactive and non-reactive molecular simulation study journal January 2019
Uniform Pd 0.33 Ir 0.67 nanoparticles supported on nitrogen-doped carbon with remarkable activity toward the alkaline hydrogen oxidation reaction journal January 2019
Surface modification of Pt nanoparticles with other metals boosting the alkaline hydrogen oxidation reaction journal January 2019
Atomically dispersed metal–nitrogen–carbon catalysts for fuel cells: advances in catalyst design, electrode performance, and durability improvement journal January 2020
Radiation-grafted anion-exchange membranes: the switch from low- to high-density polyethylene leads to remarkably enhanced fuel cell performance journal January 2019
High-performance fuel cell cathodes exclusively containing atomically dispersed iron active sites journal January 2019
Real-time imaging of activation and degradation of carbon supported octahedral Pt–Ni alloy fuel cell catalysts at the nanoscale using in situ electrochemical liquid cell STEM journal January 2019
An alkaline polymer electrolyte CO 2 electrolyzer operated with pure water journal January 2019
Quantifying and elucidating the effect of CO 2 on the thermodynamics, kinetics and charge transport of AEMFCs journal January 2019
Weakening hydrogen adsorption on nickel via interstitial nitrogen doping promotes bifunctional hydrogen electrocatalysis in alkaline solution journal January 2019
Quantum proton tunneling in multi-electron/-proton transfer electrode processes journal January 2020
Improving the water management in anion-exchange membrane fuel cells via ultra-thin, directly deposited solid polymer electrolyte journal January 2020
Free energy of proton transfer at the water–TiO 2 interface from ab initio deep potential molecular dynamics journal January 2020
Fuel cell evaluation of anion exchange membranes based on poly(phenylene oxide) with different cationic group placement journal January 2020
Enhanced HOR catalytic activity of PGM-free catalysts in alkaline media: the electronic effect induced by different heteroatom doped carbon supports journal January 2019
Effects of the N -alicyclic cation and backbone structures on the performance of poly(terphenyl)-based hydroxide exchange membranes journal January 2019
Preparation of Fe–N–C catalysts with FeN x ( x = 1, 3, 4) active sites and comparison of their activities for the oxygen reduction reaction and performances in proton exchange membrane fuel cells journal January 2019
How does a small structural change of anode ionomer make a big difference in alkaline membrane fuel cell performance? journal January 2019
In situ X-ray emission and high-resolution X-ray absorption spectroscopy applied to Ni-based bimetallic dry methane reforming catalysts journal January 2020
Highly conductive mechanically robust high M w polyfluorene anion exchange membrane for alkaline fuel cell and water electrolysis application journal January 2020
Inter-regulated d-band centers of the Ni 3 B/Ni heterostructure for boosting hydrogen electrooxidation in alkaline media journal January 2020
Expeditious synthesis of aromatic-free piperidinium-functionalized polyethylene as alkaline anion exchange membranes journal January 2021
A long side chain imidazolium-based graft-type anion-exchange membrane: novel electrolyte and alkaline-durable properties and structural elucidation using SANS contrast variation journal January 2020
Asymmetric electrode ionomer for low relative humidity operation of anion exchange membrane fuel cells journal January 2020
Prototropic charge migration in water. Part 2.—Interpretation of nuclear magnetic resonance and conductivity data in terms of model mechanisms journal January 1983
Hydrogen electrochemistry on platinum low-index single-crystal surfaces in alkaline solution journal January 1996
Snapshots of a working catalyst: possibilities and limitations of in situ spectroscopy in the field of heterogeneous catalysis journal January 2002
Oxygen content analysis of functional perovskite-derived cobalt oxides journal April 2002
In-situ XAFS fuel cell measurements of a carbon-supported Pt–Ru anode electrocatalyst in hydrogen and direct methanol operation journal July 2002
Stoichiometry of “titanium suboxide” journal February 2003
Impedance spectroscopy of H and OH adsorption on stepped single-crystal platinum electrodes in alkaline and acidic media journal January 2010
Platinum particles supported on titanium nitride: an efficient electrode material for the oxidation of methanol in alkaline media journal January 2010
High Pt loading on functionalized multiwall carbon nanotubes as a highly efficient cathode electrocatalyst for proton exchange membrane fuel cells journal January 2011
Enhanced supercapacitors from hierarchical carbon nanotube and nanohorn architectures journal January 2011
A classical density functional theory for interfacial layering of ionic liquids journal January 2011
Theory of electrocatalysis: hydrogen evolution and more journal January 2012
Structure of the catalytic sites in Fe/N/C-catalysts for O2-reduction in PEM fuel cells journal January 2012
Understanding the electrocatalysis of oxygen reduction on platinum and its alloys journal January 2012
Exploration of the active center structure of nitrogen-doped graphene-based catalysts for oxygen reduction reaction journal January 2012
First implementation of alkaline polymer electrolyte water electrolysis working only with pure water journal January 2012
Electrocatalytic performance of fuel cell reactions at low catalyst loading and high mass transport journal January 2013
Estimation of electrode ionomer oxygen permeability and ionomer-phase oxygen transport resistance in polymer electrolyte fuel cells journal January 2013
Oxygen reduction reaction on stepped platinum surfaces in alkaline media journal January 2013
On the chemical state of Co oxide electrocatalysts during alkaline water splitting journal January 2013
A contact-corrected density functional theory for electrolytes at an interface journal January 2014
Alkaline polymer electrolyte membranes for fuel cell applications journal January 2013
Oxygen reduction reaction at Pt single crystals: a critical overview journal January 2014
Correlating the hydrogen evolution reaction activity in alkaline electrolytes with the hydrogen binding energy on monometallic surfaces journal January 2013
A facile approach for the synthesis of monolithic hierarchical porous carbons – high performance materials for amine based CO2 capture and supercapacitor electrode journal January 2013
Heterogeneous nanocarbon materials for oxygen reduction reaction journal January 2014
Theory of multiple proton–electron transfer reactions and its implications for electrocatalysis journal January 2013
A hierarchical heterostructure based on Pd nanoparticles/layered double hydroxide nanowalls for enhanced ethanol electrooxidation journal January 2013
Ultrathin composite membrane of alkaline polymer electrolyte for fuel cell applications journal January 2013
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Inertia and driving force of chemical reactions journal January 1938
The escaped charge problem in solvation continuum models journal October 2001
Solvation of hydroxyl ions in water journal September 2003
Towards an assessment of the accuracy of density functional theory for first principles simulations of water journal January 2004
Numerical Estimation of the Partition Function in Quantum Statistics journal November 1962
Effects of Dielectric Saturation upon the Diffuse Double Layer and the Free Energy of Hydration of Ions journal July 1950
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Network equilibration and first-principles liquid water journal January 2004
The influence of temperature and density functional models in ab initio molecular dynamics simulation of liquid water journal January 2005
Static and dynamical properties of heavy water at ambient conditions from first-principles molecular dynamics journal May 2005
A general purpose model for the condensed phases of water: TIP4P/2005 journal December 2005
Structure of liquid water at ambient temperature from ab initio molecular dynamics performed in the complete basis set limit journal October 2006
Dynamical properties of liquid water from ab initio molecular dynamics performed in the complete basis set limit journal April 2007
Ab initio molecular dynamics using hybrid density functionals journal June 2008
Model system-bath Hamiltonian and nonadiabatic rate constants for proton-coupled electron transfer at electrode-solution interfaces journal June 2008
The structure of mixed H2O–OH monolayer films on Ru(0001) journal October 2008
An efficient implementation for determining volume polarization in self-consistent reaction field theory journal November 2008
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Applications of Hard X‐ray Full‐Field Transmission X‐ray Microscopy at SSRL conference January 2011
Van der Waals effects in ab initio water at ambient and supercritical conditions journal October 2011
Revised self-consistent continuum solvation in electronic-structure calculations journal February 2012
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Rationale for mixing exact exchange with density functional approximations journal December 1996
Ab initio molecular dynamics study of water at constant pressure using converged basis sets and empirical dispersion corrections journal July 2012
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Perspective: Advances and challenges in treating van der Waals dispersion forces in density functional theory journal September 2012
An empirical valence bond model for proton transfer in water journal February 1998
Toward reliable density functional methods without adjustable parameters: The PBE0 model journal April 1999
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The individual and collective effects of exact exchange and dispersion interactions on the ab initio structure of liquid water journal August 2014
Weighted-density functionals for cavity formation and dispersion energies in continuum solvation models journal October 2014
Perspective: How good is DFT for water? journal April 2016
Grand canonical electronic density-functional theory: Algorithms and applications to electrochemistry journal March 2017
Note: Assessment of the SCAN+rVV10 functional for the structure of liquid water journal December 2017
Structural, electronic, and dynamical properties of liquid water by ab initio molecular dynamics based on SCAN functional within the canonical ensemble journal April 2018
Improving accuracy of electrochemical capacitance and solvation energetics in first-principles calculations journal April 2018
Enthalpy and entropy of oxygen electroadsorption on RuO 2 (110) in alkaline media journal March 2020
Oxygen evolution reaction: Bifunctional mechanism breaking the linear scaling relationship journal March 2020
Exceptional chemical and thermal stability of zeolitic imidazolate frameworks journal June 2006
Electron microscopy of whole cells in liquid with nanometer resolution journal January 2009
Alkaline polymer electrolyte fuel cells completely free from noble metal catalysts journal December 2008
Density functional theory in surface chemistry and catalysis journal January 2011
On the recombination of hydronium and hydroxide ions in water journal December 2011
Proton transfer through the water gossamer journal July 2013
Platinum supported on titanium-ruthenium oxide is a remarkably stable electrocatayst for hydrogen fuel cell vehicles journal December 2013
Highly efficient nonprecious metal catalyst prepared with metal–organic framework in a continuous carbon nanofibrous network journal August 2015
Ab initio molecular dynamics of solvation effects on reactivity at electrified interfaces journal August 2016
Ab initio theory and modeling of water journal September 2017
Unveiling the high-activity origin of single-atom iron catalysts for oxygen reduction reaction journal June 2018
Revealing the atomic ordering of binary intermetallics using in situ heating techniques at multilength scales journal January 2019
Highly conductive and chemically stable alkaline anion exchange membranes via ROMP of trans -cyclooctene derivatives journal April 2019
Octahedral spinel electrocatalysts for alkaline fuel cells journal November 2019
Electrochemically scrambled nanocrystals are catalytically active for CO 2 -to-multicarbons journal April 2020
Vapor–liquid equilibria of water from first principles: comparison of density functionals and basis sets journal November 2006
Isotope effects in liquid water via deep potential molecular dynamics journal October 2019
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Two exchange-correlation functionals compared for first-principles liquid water journal April 2005
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New developments in classical density functional theory journal April 2016
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The importance of nonlinear fluid response in joint density-functional theory studies of battery systems journal October 2013
Advanced capabilities for materials modelling with Quantum ESPRESSO journal October 2017
Machine learning of molecular electronic properties in chemical compound space journal September 2013
The preparation of nano-gold catalyst supported on iron doped titanium oxide journal June 2010
New design paradigm for heterogeneous catalysts journal April 2015
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Spectral sharpening of the Pt L edges by high-resolution x-ray emission journal November 2002
First-principles calculations of charged surfaces and interfaces: A plane-wave nonrepeated slab approach journal March 2006
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Electronic structure calculations of liquid-solid interfaces: Combination of density functional theory and modified Poisson-Boltzmann theory journal June 2008
Order- N implementation of exact exchange in extended insulating systems journal February 2009
Model for the electrocatalysis of hydrogen evolution journal June 2009
Angular dependence of core hole screening in LiCoO 2 : A DFT + U calculation of the oxygen and cobalt K -edge x-ray absorption spectra journal March 2010
Standard hydrogen electrode and potential of zero charge in density functional calculations journal September 2011
Joint density functional theory of the electrode-electrolyte interface: Application to fixed electrode potentials, interfacial capacitances, and potentials of zero charge journal August 2012
Machine-learning approach for one- and two-body corrections to density functional theory: Applications to molecular and condensed water journal August 2013
Free energy of liquid water on the basis of quasichemical theory and ab initio molecular dynamics journal October 2003
Final shape of a drying thin film journal August 2009
Accurate Molecular Van Der Waals Interactions from Ground-State Electron Density and Free-Atom Reference Data journal February 2009
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Role of Structural and Electronic Properties of Pt and Pt Alloys on Electrocatalysis of Oxygen Reduction
  • Mukerjee, Sanjeev; Srinivasan, Supramaniam; Soriaga, Manuel P.
  • Journal of The Electrochemical Society, Vol. 142, Issue 5, p. 1409-1422 https://doi.org/10.1149/1.2048590
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25 Years of Fuel Cell Development (1951–1976) journal March 1978
Dual-Pathway Kinetic Equation for the Hydrogen Oxidation Reaction on Pt Electrodes journal January 2006
The Mechanism of Oxygen Reduction at Platinum in Alkaline Solutions with Special Reference to H[sub 2]O[sub 2] journal January 1967
Study of the Exchange Current Density for the Hydrogen Oxidation and Evolution Reactions journal January 2007
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In-situ Observation of CO conference January 2009
Influence of Carbon Dioxide on the Performance of Anion-Exchange Membrane Fuel Cells conference January 2010
Electrocatalytic Measurement Methodology of Oxide Catalysts Using a Thin-Film Rotating Disk Electrode journal January 2010
Hydrogen Oxidation and Evolution Reaction Kinetics on Platinum: Acid vs Alkaline Electrolytes journal January 2010
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Hydroxide based Benzyltrimethylammonium Degradation: Quantification of Rates and Degradation Technique Development journal January 2015
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High-Performance Hydroxide Exchange Membrane Fuel Cells through Optimization of Relative Humidity, Backpressure and Catalyst Selection journal January 2019
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The Impact of Platinum Loading on Oxygen Transport Resistance journal January 2012
Size-Dependent Hydrogen Oxidation and Evolution Activities on Supported Palladium Nanoparticles in Acid and Base journal January 2016
Impact of Platinum Loading and Catalyst Layer Structure on PEMFC Performance journal January 2013
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Determination of Water Evaporation Rates in Gas Diffusion Layers of Fuel Cells journal January 2018
Perspective—Towards Establishing Apparent Hydrogen Binding Energy as the Descriptor for Hydrogen Oxidation/Evolution Reactions journal January 2018
Hydrogen Oxidation and Evolution Reaction Kinetics on Carbon Supported Pt, Ir, Rh, and Pd Electrocatalysts in Acidic Media journal November 2014
Rotating Disk Electrode Voltammetry of Thin Films of Novel Oxide Materials journal January 2017
Bulk-Palladium and Palladium-on-Gold Electrocatalysts for the Oxidation of Hydrogen in Alkaline Electrolyte journal November 2014
Ink Solvent Dependence of the Ionomer Distribution in the Catalyst Layer of a PEMFC journal January 2018
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Fundamental Mechanistic Understanding of Electrocatalysis of Oxygen Reduction on Pt and Non-Pt Surfaces: Acid versus Alkaline Media journal March 2012
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Statistical Mechanics of Dissipative Particle Dynamics journal May 1995
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Effects of Carbon Dioxide on the Performance of Anion-Exchange Membrane Fuel Cells journal January 2011
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Related Subjects

30 DIRECT ENERGY CONVERSION
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
alkaline fuel cells
alkaline media
alkaline-based energy technologies
electrocatalysis
water electrolyzers