|
Impacts of electrode potentials and solvents on the electroreduction of CO 2 : a comparison of theoretical approaches
|
journal
|
January 2015 |
|
Improving Platinum Catalyst Durability with a Doped Graphene Support
|
journal
|
May 2012 |
|
High resolution transmission electron microscopy and electronic structure theory investigation of platinum nanoparticles on carbon black
|
journal
|
November 2018 |
|
Enhanced activity and stability of Pt catalysts on functionalized graphene sheets for electrocatalytic oxygen reduction
|
journal
|
May 2009 |
|
Strategies to Break the Scaling Relation toward Enhanced Oxygen Electrocatalysis
|
journal
|
December 2019 |
|
The Reaction Mechanism with Free Energy Barriers at Constant Potentials for the Oxygen Evolution Reaction at the IrO 2 (110) Surface
|
journal
|
December 2016 |
|
Fluxionality of Catalytic Clusters: When It Matters and How to Address It
|
journal
|
February 2017 |
|
Modelling electrified interfaces in quantum chemistry: constant charge vs. constant potential
|
journal
|
January 2013 |
|
What is the Real Origin of the Activity of Fe–N–C Electrocatalysts in the O2 Reduction Reaction? Critical Roles of Coordinating Pyrrolic N and Axially Adsorbing Species
|
journal
|
September 2022 |
|
Atomic-Scale Mechanisms of Electrochemical Pt Dissolution
|
journal
|
November 2021 |
|
Kinetics of hydrogen underpotential deposition at polycrystalline platinum in acidic solutions
|
journal
|
October 2012 |
|
Size-dependent electronic structure controls activity for ethanol electro-oxidation at Pt n /indium tin oxide (n = 1 to 14)
|
journal
|
January 2015 |
|
Ensemble representation of catalytic interfaces: soloists, orchestras, and everything in-between
|
journal
|
January 2022 |
|
When Fluxionality Beats Size Selection: Acceleration of Ostwald Ripening of Sub‐Nano Clusters
|
journal
|
April 2021 |
|
Mononuclear Fe in N-doped carbon: computational elucidation of active sites for electrochemical oxygen reduction and oxygen evolution reactions
|
journal
|
January 2020 |
|
Interaction of Platinum Nanoparticles with Graphitic Carbon Structures: A Computational Study
|
journal
|
July 2013 |
|
Water-Splitting Catalysis and Solar Fuel Devices: Artificial Leaves on the Move
|
journal
|
August 2013 |
|
Challenges in Modeling Electrochemical Reaction Energetics with Polarizable Continuum Models
|
journal
|
November 2018 |
|
Atomistic modeling of electrocatalysis: Are we there yet?
|
journal
|
August 2020 |
|
Electronic interaction between platinum nanoparticles and nitrogen-doped reduced graphene oxide: effect on the oxygen reduction reaction
|
journal
|
January 2015 |
|
Density-functional calculations of icosahedral M13 (M=Pt and Au) clusters on graphene sheets and flakes
|
journal
|
March 2006 |
|
Identification of Possible Pathways for C–C Bond Formation during Electrochemical Reduction of CO 2 : New Theoretical Insights from an Improved Electrochemical Model
|
journal
|
April 2016 |
|
Opportunities and challenges for a sustainable energy future
|
journal
|
August 2012 |
|
Origin of the Overpotential for Oxygen Reduction at a Fuel-Cell Cathode
|
journal
|
November 2004 |
|
Atomic Structural Evolution of Single‐Layer Pt Clusters as Efficient Electrocatalysts
|
journal
|
June 2021 |
|
Electrochemical deposition of hydrogen on platinum single crystals studied by infrared‐visible sum‐frequency generation
|
journal
|
October 1995 |
|
Strategies to break linear scaling relationships
|
journal
|
October 2019 |
|
Unifying Kinetic and Thermodynamic Analysis of 2 e – and 4 e – Reduction of Oxygen on Metal Surfaces
|
journal
|
March 2014 |
|
Electrocatalyst approaches and challenges for automotive fuel cells
|
journal
|
June 2012 |
|
Cluster Size Controls Branching between Water and Hydrogen Peroxide Production in Electrochemical Oxygen Reduction at Pt n /ITO
|
journal
|
January 2015 |
|
Hybrid solvation models for bulk, interface, and membrane: Reference interaction site methods coupled with density functional theory
|
journal
|
September 2017 |
|
Origin of the overpotentials for HCOO − and CO formation in the electroreduction of CO 2 on Cu(211): the reductive desorption processes decide
|
journal
|
January 2018 |
|
Multilevel Computational Studies Reveal the Importance of Axial Ligand for Oxygen Reduction Reaction on Fe–N–C Materials
|
journal
|
August 2022 |
|
Assessing a First-Principles Model of an Electrochemical Interface by Comparison with Experiment
|
journal
|
January 2016 |
|
Local Fluxionality of Surface-Deposited Cluster Catalysts: The Case of Pt 7 on Al 2 O 3
|
journal
|
March 2018 |
|
Promotion of Pt surfaces for ethanol electro-oxidation by the addition of small SnO2 nanoparticles: Activity and mechanism
|
journal
|
June 2014 |
|
Dynamics of Subnanometer Pt Clusters Can Break the Scaling Relationships in Catalysis
|
journal
|
January 2019 |
|
Advances and challenges in modeling solvated reaction mechanisms for renewable fuels and chemicals
|
journal
|
August 2019 |
|
Influence of sp3–sp2 Carbon Nanodomains on Metal/Support Interaction, Catalyst Durability, and Catalytic Activity for the Oxygen Reduction Reaction
|
journal
|
August 2016 |
|
Constant Electrode Potential Quantum Mechanical Study of CO 2 Electrochemical Reduction Catalyzed by N-Doped Graphene
|
journal
|
July 2019 |
|
Insight into the correlation of Pt–support interactions with electrocatalytic activity and durability in fuel cells
|
journal
|
January 2020 |
|
Fluxionality of Subnano Clusters Reshapes the Activity Volcano of Electrocatalysis
|
journal
|
June 2022 |
|
Ensemble-Average Representation of Pt Clusters in Conditions of Catalysis Accessed through GPU Accelerated Deep Neural Network Fitting Global Optimization
|
journal
|
November 2016 |
|
Grand-canonical approach to density functional theory of electrocatalytic systems: Thermodynamics of solid-liquid interfaces at constant ion and electrode potentials
|
journal
|
January 2019 |
|
Curvature-Induced Metal–Support Interaction of an Islands-by-Islands Composite of Platinum Catalyst and Carbon Nano-onion for Durable Oxygen Reduction
|
journal
|
July 2017 |
|
Theoretical investigation on the interaction of subnano platinum clusters with graphene using DFT methods
|
journal
|
January 2015 |
|
Enhanced oxygen reduction activity of size-selected platinum subnanocluster catalysts: Pt n ( n = 3–9)
|
journal
|
January 2022 |
|
Understanding Catalytic Activity Trends in the Oxygen Reduction Reaction
|
journal
|
December 2017 |
|
Perspective: Size selected clusters for catalysis and electrochemistry
|
journal
|
March 2018 |
|
Interactions of platinum clusters with a graphite substrate
|
journal
|
January 2013 |
|
First-principles Green's-function method for surface calculations: A pseudopotential localized basis set approach
|
journal
|
November 2017 |
|
The Oxygen Reduction Reaction on Pt: Why Particle Size and Interparticle Distance Matter
|
journal
|
June 2021 |
|
Pure and Zn-doped Pt clusters go flat and upright on MgO(100)
|
journal
|
January 2014 |
|
Enhanced oxygen reduction activity of platinum subnanocluster catalysts through charge redistribution
|
journal
|
January 2019 |
|
Ab Initio Thermodynamics Insight into the Structural Evolution of Working IrO 2 Catalysts in Proton-Exchange Membrane Electrolyzers
|
journal
|
April 2019 |
|
Comparative study of different fuel cell technologies
|
journal
|
January 2012 |
|
OH formation and H 2 adsorption at the liquid water–Pt(111) interface
|
journal
|
January 2018 |
|
Electrocatalytically Active Graphene-Platinum Nanocomposites. Role of 2-D Carbon Support in PEM Fuel Cells
|
journal
|
April 2009 |
|
Strong Effects of Cluster Size and Air Exposure on Oxygen Reduction and Carbon Oxidation Electrocatalysis by Size-Selected Pt n ( n ≤ 11) on Glassy Carbon Electrodes
|
journal
|
February 2013 |
|
Iodide-mediated Cu catalyst restructuring during CO2electroreduction
|
journal
|
January 2022 |
|
Powering the planet: Chemical challenges in solar energy utilization
|
journal
|
October 2006 |
|
Ethylene Dehydrogenation on Pt 4,7,8 Clusters on Al 2 O 3 : Strong Cluster Size Dependence Linked to Preferred Catalyst Morphologies
|
journal
|
April 2017 |
|
Electrocatalysis by Mass-Selected Pt n Clusters
|
journal
|
October 2016 |
|
A computational study on the electrified Pt(111) surface by the cluster model
|
journal
|
January 2019 |
|
Isomerizations of a Pt 4 cluster revealed by spatiotemporal microscopic analysis
|
journal
|
January 2019 |
|
Hydrogen Evolution on Restructured B-Rich WB: Metastable Surface States and Isolated Active Sites
|
journal
|
November 2020 |
|
Implicit solvation model for density-functional study of nanocrystal surfaces and reaction pathways
|
journal
|
February 2014 |
|
First-Principles Molecular Dynamics at a Constant Electrode Potential
|
journal
|
December 2012 |
|
Grand canonical electronic density-functional theory: Algorithms and applications to electrochemistry
|
journal
|
March 2017 |
|
DFT-Based Study on Oxygen Adsorption on Defective Graphene-Supported Pt Nanoparticles
|
journal
|
October 2011 |
|
Ensembles of Metastable States Govern Heterogeneous Catalysis on Dynamic Interfaces
|
journal
|
January 2020 |