Interfacial Active Sites for CO2 Assisted Selective Cleavage of C–C/C–H Bonds in Ethane
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journal
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October 2020 |
Enhancing Activity and Reducing Cost for Electrochemical Reduction of CO 2 by Supporting Palladium on Metal Carbides
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journal
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April 2019 |
Kinetics-Based Computational Catalyst Design Strategy for the Oxygen Evolution Reaction on Transition-Metal Oxide Surfaces
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journal
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October 2018 |
Density functional study on the mechanism for the highly active palladium monolayer supported on titanium carbide for the oxygen reduction reaction
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journal
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May 2016 |
Electrochemical CO 2 Reduction to C 1 Products on Single Nickel/Cobalt/Iron‐Doped Graphitic Carbon Nitride: A DFT Study
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journal
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November 2019 |
Catalytic Activity and Product Selectivity Trends for Carbon Dioxide Electroreduction on Transition Metal-Coated Tungsten Carbides
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journal
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September 2017 |
Computational high-throughput screening of electrocatalytic materials for hydrogen evolution
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journal
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October 2006 |
Molecular-level descriptions of surface chemistry in kinetic models using density functional theory
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journal
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November 2004 |
Turning main-group element magnesium into a highly active electrocatalyst for oxygen reduction reaction
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journal
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February 2020 |
Computational Screening of Efficient Single‐Atom Catalysts Based on Graphitic Carbon Nitride (g‐C 3 N 4 ) for Nitrogen Electroreduction
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journal
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October 2018 |
Achieving Efficient Alkaline Hydrogen Evolution Reaction over a Ni 5 P 4 Catalyst Incorporating Single‐Atomic Ru Sites
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journal
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January 2020 |
A DFT study of the ORR on M–N3 (M = Mn, Fe, Co, Ni, or Cu) co-doped graphene with moiety-patched defects
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journal
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December 2019 |
Mechanistic Insights into Electrochemical Nitrogen Reduction Reaction on Vanadium Nitride Nanoparticles
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September 2018 |
Fluorine-Doped and Partially Oxidized Tantalum Carbides as Nonprecious Metal Electrocatalysts for Methanol Oxidation Reaction in Acidic Media
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journal
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January 2016 |
Structural Design and Electronic Modulation of Transition-Metal-Carbide Electrocatalysts toward Efficient Hydrogen Evolution
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journal
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August 2018 |
Theoretical and Experimental Studies of Ethanol Decomposition and Electrooxidation over Pt-Modified Tungsten Carbide
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journal
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January 2014 |
Deciphering Iron‐Dependent Activity in Oxygen Evolution Catalyzed by Nickel–Iron Layered Double Hydroxide
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journal
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March 2020 |
A First-Principles Study of O 2 Dissociation on Platinum Modified Titanium Carbide: A Possible Efficient Catalyst for the Oxygen Reduction Reaction
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September 2017 |
Tunable Schottky barriers and electronic properties in van der Waals heterostructures of semiconducting monolayer gold sulfides and graphene
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July 2021 |
Metallic Nickel Nitride Nanosheets Realizing Enhanced Electrochemical Water Oxidation
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journal
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March 2015 |
Molybdenum Carbide Nanodots Enable Efficient Electrocatalytic Nitrogen Fixation under Ambient Conditions
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journal
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October 2018 |
Low-Electronegativity Vanadium Substitution in Cobalt Carbide Induced Enhanced Electron Transfer for Efficient Overall Water Splitting
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journal
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October 2019 |
Atomic-level insight into super-efficient electrocatalytic oxygen evolution on iron and vanadium co-doped nickel (oxy)hydroxide
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journal
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July 2018 |
Using nature’s blueprint to expand catalysis with Earth-abundant metals
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journal
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August 2020 |
Molybdenum carbide on hierarchical porous carbon synthesized from Cu-MoO2 as efficient electrocatalysts for electrochemical hydrogen generation
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journal
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November 2017 |
Palladium-Modified Tungsten Carbide for Ethanol Electrooxidation: From Surface Science Studies to Electrochemical Evaluation
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journal
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January 2018 |
The adsorption and dissociation of O2 on Pd and Pt modified TaC (1 0 0) surface: A first principles study
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journal
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May 2018 |
Performance of DFT+ U Approaches in the Study of Catalytic Materials
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journal
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November 2016 |
Nonequivalence of the generalized gradient approximations PBE and PW91
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journal
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May 2006 |
Trends in the Exchange Current for Hydrogen Evolution
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journal
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January 2005 |
Exploring Pretreatment-Morphology Relationships: Ab Initio Wulff Construction for RuO 2 Nanoparticles under Oxidising Conditions
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journal
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July 2013 |
Electroreduction of N 2 to Ammonia at Ambient Conditions on Mononitrides of Zr, Nb, Cr, and V: A DFT Guide for Experiments
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journal
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December 2015 |
A DFT study of the structural, electronic and optical properties of transition metal doped fluorite oxides: Ce0.75M0.25O2 (M=Fe, Co, Ni)
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journal
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April 2016 |
Reducing Iridium Loading in Oxygen Evolution Reaction Electrocatalysts Using Core–Shell Particles with Nitride Cores
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journal
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January 2018 |
Density functional theory in surface chemistry and catalysis
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journal
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January 2011 |
Constant Electrode Potential Quantum Mechanical Study of CO 2 Electrochemical Reduction Catalyzed by N-Doped Graphene
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journal
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July 2019 |
Galvanic-replacement mediated synthesis of copper–nickel nitrides as electrocatalyst for hydrogen evolution reaction
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journal
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January 2017 |
Hydrogen adsorption on model tungsten carbide surfaces
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journal
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August 2009 |
Exclusive Ni–N 4 Sites Realize Near-Unity CO Selectivity for Electrochemical CO 2 Reduction
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journal
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October 2017 |
A universal principle for a rational design of single-atom electrocatalysts
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journal
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April 2018 |
Highly efficient and durable MoNiNC catalyst for hydrogen evolution reaction
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journal
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July 2017 |
Highly efficient N 2 fixation catalysts: transition-metal carbides M 2 C (MXenes)
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journal
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January 2020 |
Aqueous and Surface Redox Potentials from Self-Consistently Determined Gibbs Energies
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journal
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May 2008 |
Single transition metal atom catalysts on Ti2CN2 for efficient CO2 reduction reaction
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journal
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April 2021 |
Catalytic activity of Co–N x /C electrocatalysts for oxygen reduction reaction: a density functional theory study
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journal
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January 2013 |
First-row transition metals and nitrogen co-doped carbon nanotubes: The exact origin of the enhanced activity for oxygen reduction reaction
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journal
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March 2019 |
Metal-free graphitic carbon nitride as mechano-catalyst for hydrogen evolution reaction
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journal
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December 2015 |
Tungsten Carbide Supports for Single-Atom Platinum-Based Fuel-Cell Catalysts: First-Principles Study on the Metal–Support Interactions and O 2 Dissociation on W x C Low-Index Surfaces
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journal
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June 2014 |
Assessment of Constant-Potential Implicit Solvation Calculations of Electrochemical Energy Barriers for H 2 Evolution on Pt
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journal
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January 2019 |
Defect Engineering Metal-Free Polymeric Carbon Nitride Electrocatalyst for Effective Nitrogen Fixation under Ambient Conditions
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journal
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July 2018 |
Trends in the chemical properties of early transition metal carbide surfaces: A density functional study
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journal
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July 2005 |
Theoretical prediction and experimental verification of low loading of platinum on titanium carbide as low-cost and stable electrocatalysts
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journal
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April 2014 |
Metallic Co 4 N Porous Nanowire Arrays Activated by Surface Oxidation as Electrocatalysts for the Oxygen Evolution Reaction
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journal
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October 2015 |
Metal-modified niobium carbides as low-cost and impurity-resistant electrocatalysts for hydrogen evolution in acidic and alkaline electrolytes
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journal
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April 2016 |
Density Functional Theory (DFT) Calculations for Oxygen Reduction Reaction Mechanisms on Metal-, Nitrogen- co-doped Graphene (M-N2-G (M = Ti, Cu, Mo, Nb and Ru)) Electrocatalysts
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journal
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February 2017 |
O2 dissociation on the side wall of aluminum nitride nanotube: a DFT investigation
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journal
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July 2015 |
Carbide and Nitride Overlayers on Early Transition Metal Surfaces: Preparation, Characterization, and Reactivities
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journal
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January 1996 |
Unravelling the electrochemical mechanisms for nitrogen fixation on single transition metal atoms embedded in defective graphitic carbon nitride
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journal
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January 2018 |
Grand Canonical Quantum Mechanical Study of the Effect of the Electrode Potential on N-Heterocyclic Carbene Adsorption on Au Surfaces
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journal
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October 2017 |
Hydrogen Evolution Reaction Catalyzed by Transition-Metal Nitrides
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journal
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October 2017 |
Ni-Fe Nitride Nanoplates on Nitrogen-Doped Graphene as a Synergistic Catalyst for Reversible Oxygen Evolution Reaction and Rechargeable Zn-Air Battery
|
journal
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May 2017 |
Identifying the Key Role of Pyridinic-N-Co Bonding in Synergistic Electrocatalysis for Reversible ORR/OER
|
journal
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April 2018 |
Pressure-driven catalyst synthesis of Co-doped Fe C@Carbon nano-onions for efficient oxygen evolution reaction
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journal
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July 2020 |
Engineering Transition-Metal-Coated Tungsten Carbides for Efficient and Selective Electrochemical Reduction of CO 2 to Methane
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journal
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July 2015 |
Conversion of Dinitrogen to Ammonia by FeN 3 -Embedded Graphene
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journal
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July 2016 |
Single Mo Atom Supported on Defective Boron Nitride Monolayer as an Efficient Electrocatalyst for Nitrogen Fixation: A Computational Study
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journal
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August 2017 |
Effect of transition metal Fe adsorption on CeO 2 (110) surface in the methane activation and oxygen vacancy formation: A density functional theory study
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journal
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September 2017 |
Ultrathin Cobalt Oxide Overlayer Promotes Catalytic Activity of Cobalt Nitride for the Oxygen Reduction Reaction
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journal
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January 2018 |
Universal Descriptor for Large-Scale Screening of High-Performance MXene-Based Materials for Energy Storage and Conversion
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journal
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March 2018 |
Highly active and durable non-precious-metal catalysts encapsulated in carbon nanotubes for hydrogen evolution reaction
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journal
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January 2014 |
Revised self-consistent continuum solvation in electronic-structure calculations
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journal
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February 2012 |
Establishing new scaling relations on two-dimensional MXenes for CO 2 electroreduction
|
journal
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January 2018 |
Hydrogen evolution reaction catalyzed by ruthenium ion-complexed graphitic carbon nitride nanosheets
|
journal
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January 2017 |
Composition-Graded Cu–Pd Nanospheres with Ir-Doped Surfaces on N-Doped Porous Graphene for Highly Efficient Ethanol Electro-Oxidation in Alkaline Media
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journal
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December 2019 |
Electrochemical synthesis of ammonia via Mars-van Krevelen mechanism on the (111) facets of group III–VII transition metal mononitrides
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journal
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May 2017 |
Transition Metal Nitride Catalysts for Electrochemical Reduction of Nitrogen to Ammonia at Ambient Conditions
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journal
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January 2015 |
Alloys of platinum and early transition metals as oxygen reduction electrocatalysts
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journal
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September 2009 |
Quantification of Active Sites and Elucidation of the Reaction Mechanism of the Electrochemical Nitrogen Reduction Reaction on Vanadium Nitride
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journal
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September 2019 |
Is iron nitride or carbide highly active for oxygen reduction reaction in acidic medium?
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journal
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January 2017 |
Graphitic carbon nitride supported single-atom catalysts for efficient oxygen evolution reaction
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journal
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January 2016 |
Trends in Hydrogen Evolution Activity of Metal-Modified Molybdenum Carbides in Alkaline and Acid Electrolytes
|
journal
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May 2016 |
Challenges and Opportunities in Utilizing MXenes of Carbides and Nitrides as Electrocatalysts
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journal
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December 2020 |
TiC- and TiN-Supported Single-Atom Catalysts for Dramatic Improvements in CO 2 Electrochemical Reduction to CH 4
|
journal
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April 2017 |
DFT study of platinum and palladium overlayers on tungsten carbide: Structure and electrocatalytic activity toward hydrogen oxidation/evolution reaction
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journal
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April 2013 |
Atomic Layer Deposition of Pt on Tungsten Monocarbide (WC) for the Oxygen Reduction Reaction
|
journal
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February 2011 |
Density Functional Theory (DFT) Computation of the Oxygen Reduction Reaction (ORR) on Titanium Nitride (TiN) Surface
|
journal
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September 2014 |
Synergistic cerium doping and MXene coupling in layered double hydroxides as efficient electrocatalysts for oxygen evolution
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journal
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January 2021 |
Universality in Heterogeneous Catalysis
|
journal
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July 2002 |
Molecule-Level g-C 3 N 4 Coordinated Transition Metals as a New Class of Electrocatalysts for Oxygen Electrode Reactions
|
journal
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February 2017 |
Novel 2D Transition‐Metal Carbides: Ultrahigh Performance Electrocatalysts for Overall Water Splitting and Oxygen Reduction
|
journal
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April 2020 |
A comparison study of oxygen reduction on the supported Pt, Pd, Au monolayer on WC(0001)
|
journal
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July 2016 |
Atomically-thin molybdenum nitride nanosheets with exposed active surface sites for efficient hydrogen evolution
|
journal
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January 2014 |
Trends in the Hydrogen Evolution Activity of Metal Carbide Catalysts
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journal
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March 2014 |
MXene Materials for the Electrochemical Nitrogen Reduction—Functionalized or Not?
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journal
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November 2019 |
Low-Cost Hydrogen-Evolution Catalysts Based on Monolayer Platinum on Tungsten Monocarbide Substrates
|
journal
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September 2010 |
Theoretical Screening of Single Transition Metal Atoms Embedded in MXene Defects as Superior Electrocatalyst of Nitrogen Reduction Reaction
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journal
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May 2019 |
Biomass-Derived Porous Fe 3 C/Tungsten Carbide/Graphitic Carbon Nanocomposite for Efficient Electrocatalysis of Oxygen Reduction
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journal
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November 2016 |
Nitrogen electroreduction and hydrogen evolution on cubic molybdenum carbide: a density functional study
|
journal
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January 2018 |
Monolayer platinum supported on tungsten carbides as low-cost electrocatalysts: opportunities and limitations
|
journal
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January 2011 |
Methanol Oxidation Reaction on α-Tungsten Carbide Versus Platinum (1 1 1) Surfaces: A DFT Electrochemical Study
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journal
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September 2015 |
Ab Initio Thermodynamics Insight into the Structural Evolution of Working IrO 2 Catalysts in Proton-Exchange Membrane Electrolyzers
|
journal
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April 2019 |
Trends and Descriptors of Metal-Modified Transition Metal Carbides for Hydrogen Evolution in Alkaline Electrolyte
|
journal
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February 2019 |
Solvation Effects for Oxygen Evolution Reaction Catalysis on IrO 2 (110)
|
journal
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May 2017 |
Electrochemical CO 2 Reduction with Atomic Iron-Dispersed on Nitrogen-Doped Graphene
|
journal
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March 2018 |
A New Class of Electrocatalysts for Hydrogen Production from Water Electrolysis: Metal Monolayers Supported on Low-Cost Transition Metal Carbides
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journal
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February 2012 |
The Role of Intrinsic Defects in Electrocatalytic Activity of Monolayer VS 2 Basal Planes for the Hydrogen Evolution Reaction
|
journal
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January 2017 |
Exploring electrocatalytic stability and activity of unmodified and platinum-modified tungsten and niobium nitrides
|
journal
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September 2020 |
Electro-reduction of nitrogen on molybdenum nitride: structure, energetics, and vibrational spectra from DFT
|
journal
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January 2014 |
Iron-embedded boron nitride nanosheet as a promising electrocatalyst for the oxygen reduction reaction (ORR): A density functional theory (DFT) study
|
journal
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August 2015 |
Promotion of electrochemical oxygen evolution reaction by chemical coupling of cobalt to molybdenum carbide
|
journal
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July 2018 |
Metal-Free Single Atom Catalyst for N 2 Fixation Driven by Visible Light
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journal
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October 2018 |
DFT insights into oxygen vacancy formation and CH 4 activation over CeO 2 surfaces modified by transition metals (Fe, Co and Ni)
|
journal
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January 2018 |
Interface-coupling of CoFe-LDH on MXene as high-performance oxygen evolution catalyst
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journal
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June 2019 |
Boron Nitride Nanosheet on Gold as an Electrocatalyst for Oxygen Reduction Reaction: Theoretical Suggestion and Experimental Proof
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journal
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April 2014 |
Activity origin and catalyst design principles for electrocatalytic hydrogen evolution on heteroatom-doped graphene
|
journal
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September 2016 |
Methanol electro-oxidation on platinum modified tungsten carbides in direct methanol fuel cells: a DFT study
|
journal
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January 2015 |
Opportunities and Challenges in Utilizing Metal-Modified Transition Metal Carbides as Low-Cost Electrocatalysts
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journal
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October 2017 |
Platinum–carbide interactions: core–shells for catalytic use
|
journal
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January 2015 |
Uncovering the electrochemical mechanisms for hydrogen evolution reaction of heteroatom doped M2C MXene (M = Ti, Mo)
|
journal
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January 2020 |
First-principles study of vanadium carbides as electrocatalysts for hydrogen and oxygen evolution reactions
|
journal
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January 2019 |
Electrocatalytic CO 2 reduction on earth abundant 2D Mo 2 C and Ti 3 C 2 MXenes
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journal
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January 2021 |
Replacing bulk Pt in Pt–Ni–Pt bimetallic structures with tungsten monocarbide (WC): Hydrogen adsorption and cyclohexene hydrogenation on Pt–Ni–WC
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journal
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April 2010 |
Trends in Electrochemical Stability of Transition Metal Carbides and Their Potential Use As Supports for Low-Cost Electrocatalysts
|
journal
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April 2014 |
Linear response approach to the calculation of the effective interaction parameters in the method
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journal
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January 2005 |
Atomic site electrocatalysts for water splitting, oxygen reduction and selective oxidation
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journal
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January 2020 |
High throughput screening of M 3 C 2 MXenes for efficient CO 2 reduction conversion into hydrocarbon fuels
|
journal
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January 2020 |
Pt-modified TaC as an efficient electrocatalyst for ethanol oxidation in acid and alkaline electrolytes
|
journal
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October 2018 |
Computational Predictions of Catalytic Activity of Zincblende (110) Surfaces of Metal Nitrides for Electrochemical Ammonia Synthesis
|
journal
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March 2017 |
Environmentally‐Friendly Exfoliate and Active Site Self‐Assembly: Thin 2D/2D Heterostructure Amorphous Nickel–Iron Alloy on 2D Materials for Efficient Oxygen Evolution Reaction
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journal
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March 2019 |
First principles mechanistic study of borohydride oxidation over the Pt(111) surface
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journal
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January 2010 |
Catalytic Aminohalogenation of Alkenes and Alkynes
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journal
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April 2013 |
Tuning the activity and selectivity of electroreduction of CO2 to synthesis gas using bimetallic catalysts
|
journal
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August 2019 |
2D carbide nanomeshes and their assembling into 3D microflowers for efficient water splitting
|
journal
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April 2019 |
3D Hierarchically Porous Graphitic Carbon Nitride Modified Graphene-Pt Hybrid as Efficient Methanol Oxidation Catalysts
|
journal
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March 2017 |
Pd-Modified Tungsten Carbide for Methanol Electro-oxidation: From Surface Science Studies to Electrochemical Evaluation
|
journal
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April 2012 |
Exploring single atom catalysts of transition-metal doped phosphorus carbide monolayer for HER: A first-principles study
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journal
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January 2021 |
Single atom-supported MXene: how single-atomic-site catalysts tune the high activity and selectivity of electrochemical nitrogen fixation
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journal
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January 2019 |
Performance of cubic ZrO2 doped CeO2: First-principles investigation on elastic, electronic and optical properties of Ce1− Zr O2
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journal
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June 2016 |
Novel catalytic activity for oxygen reduction reaction on MnN4 embedded graphene: A dispersion-corrected density functional theory study
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journal
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April 2015 |
Molybdenum Carbide-Embedded Nitrogen-Doped Porous Carbon Nanosheets as Electrocatalysts for Water Splitting in Alkaline Media
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journal
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March 2017 |
Metal-Free Boron Nitride Nanoribbon Catalysts for Electrochemical CO 2 Reduction: Combining High Activity and Selectivity
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journal
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December 2018 |
Coupled molybdenum carbide and reduced graphene oxide electrocatalysts for efficient hydrogen evolution
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journal
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April 2016 |
Adsorption and energetics of H2O molecules and O atoms on the χ-Fe5C2 (111), (−411) and (001) surfaces from DFT
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journal
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April 2014 |
Fluorination-enabled Reconstruction of NiFe Electrocatalysts for Efficient Water Oxidation
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journal
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December 2020 |
Phosphorus and Fluorine Co-Doping Induced Enhancement of Oxygen Evolution Reaction in Bimetallic Nitride Nanorods Arrays: Ionic Liquid-Driven and Mechanism Clarification
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journal
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November 2017 |
Vanadium nitride nanofiber membrane as a highly stable support for Pt-catalyzed oxygen reduction reaction
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journal
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February 2017 |
Reactions of water and C1 molecules on carbide and metal-modified carbide surfaces
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journal
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January 2017 |
Electrochemical and Computational Study of Oxygen Reduction Reaction on Nonprecious Transition Metal/Nitrogen Doped Carbon Nanofibers in Acid Medium
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journal
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January 2016 |
Defect Engineering in MoSe 2 for the Hydrogen Evolution Reaction: From Point Defects to Edges
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journal
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November 2017 |
Tungsten carbide as supports for Pt electrocatalysts with improved CO tolerance in methanol oxidation
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journal
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August 2011 |
Tailoring the d-Band Centers Enables Co 4 N Nanosheets To Be Highly Active for Hydrogen Evolution Catalysis
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journal
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March 2018 |
Reaction Pathway for Oxygen Reduction on FeN 4 Embedded Graphene
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journal
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January 2014 |
Highly effective sites and selectivity of nitrogen-doped graphene/CNT catalysts for CO 2 electrochemical reduction
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journal
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January 2016 |
Active-Site Computational Screening: Role of Structural and Compositional Diversity for the Electrochemical CO 2 Reduction at Mo Carbide Catalysts
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journal
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September 2020 |
DFT Study of the Oxygen Reduction Reaction on Carbon-Coated Iron and Iron Carbide
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journal
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October 2018 |
Reactions of oxygen-containing molecules on transition metal carbides: Surface science insight into potential applications in catalysis and electrocatalysis
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journal
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September 2012 |
Thin Nickel Layer with Embedded WC Nanoparticles for Efficient Oxygen Evolution
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journal
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April 2019 |
Nitrogen-doped tungsten carbide nanoarray as an efficient bifunctional electrocatalyst for water splitting in acid
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journal
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March 2018 |
Origin of the Overpotential for Oxygen Reduction at a Fuel-Cell Cathode
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journal
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November 2004 |
Ni‐Activated Transition Metal Carbides for Efficient Hydrogen Evolution in Acidic and Alkaline Solutions
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journal
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August 2020 |
Two-Dimensional Titanium and Molybdenum Carbide MXenes as Electrocatalysts for CO2 Reduction
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journal
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June 2020 |
Oxidation energies of transition metal oxides within the framework
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journal
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May 2006 |
Platinum-Like Behavior of Tungsten Carbide in Surface Catalysis
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journal
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August 1973 |
Is platinum necessary for efficient hydrogen evolution? – DFT study of metal monolayers on tungsten carbide
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journal
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December 2013 |
Transition metal oxynitride catalysts for electrochemical reduction of nitrogen to ammonia
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journal
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January 2021 |
Understanding of Electrochemical Mechanisms for CO 2 Capture and Conversion into Hydrocarbon Fuels in Transition-Metal Carbides (MXenes)
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journal
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September 2017 |
Combining theory and experiment in electrocatalysis: Insights into materials design
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journal
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January 2017 |
Preparation and catalytic properties of transition metal carbides and nitrides
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journal
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June 1992 |
Interactions of H with tungsten carbide surfaces: An ab initio study
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journal
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January 2007 |