Displaying 1 - 50 of 424
Implications of the Fractional Charge of Hydroxide at the Electro-Chemical Interface. . Physical Chemistry Chemical Physics
Micro-Kinetic Model of Electrochemical Carbon Dioxide Reduction over Platinum in Non-Aqueous Solvents. . Physical Chemistry Chemical Physics. 2020.
Selective reduction of CO to acetaldehyde with CuAg electrocatalysts. . Proceedings of the National Academy of Sciences. 2020.
Interpreting Tafel Behavior of Consecutive Electrochemical Reactions through Combined Thermodynamic and Steady State Microkinetic Approaches. . Energy & Environmental Science. 2020.
Understanding the Origin of Highly Selective CO2 Electroreduction to CO on Ni, N-doped Carbon Catalysts. . Angewandte Chemie International Edition. 2020.
Mechanisms of two-electron and four-electron electrochemical oxygen reduction reactions at nitrogen-doped reduced graphene oxide. . ACS Catalysis, 10, 852-863. 2020.
Double layer charging driven carbon dioxide adsorption limits the rate of electrochemical carbon dioxide reduction on Gold. . Nature Communications, 11, 33. 2020.
Understanding Structure-Property Relationships of MoO3-Promoted Rh Catalysts for Syngas Conversion to Alcohols. . Journal of American Chemical Society. 2019.
Improved Oxygen Reduction Reaction Activity of Nanostructured CoS2 through Electrochemical Tuning. . ACS Aplied Energy Materials. 2019.
Accessing the C–C transition state energy on transition metals. . Physical Chemistry Chemical Physics. 2019.
A non-precious metal hydrogen catalyst in a commercial polymer electrolyte membrane electrolyser. . Nature Nanotechnology, 14, 1071-1074. 2019.
Surface Engineering of 3D Gas Diffusion Electrodes for High‐Performance H2 Production with Nonprecious Metal Catalysts . . Advanced Energy Materials, 1901824. 2019.
Selective high-temperature CO2 electrolysis enabled by oxidized carbon intermediates. . Nature Energy. 2019.
A Two-Dimensional MoS2 Catalysis Transistor by Solid-State Ion Gating Manipulation and Adjustment (SIGMA). . Nano Letters. 2019.
ZnO As an Active and Selective Catalyst for Electrochemical Water Oxidation to Hydrogen Peroxide. . ACS Catalysis, 9, 4593-4599. 2019.
Aqueous Electrochemical Reduction of Carbon Dioxide and Carbon Monoxide into Methanol with Cobalt Phthalocyanine. . Angewandte Chemie International Edition, 58. 2019.
Highly selective oxygen reduction to hydrogen peroxide on transition metal single atom coordination. . Nature Communications, 10, 3997. 2019.
Systematic Investigation of Iridium-Based Bimetallic Thin Film Catalysts for the Oxygen Evolution Reaction in Acidic Media Authors. . ACS Applied Materials and Interfaces. 2019.
Catalyst deactivation via decomposition into single atoms and the role of metal loading. . Nature Catalysis, 2, 748-755. 2019.
Understanding cation effects in electrochemical CO2 reduction. . Energy and Environmental Science. 2019.
Adsorption on transition metal surfaces: Transferability and accuracy of DFT using the ADS41 dataset. . Physical Review B, 100, 035439. 2019.
Electro-Oxidation of Methane on Platinum under Ambient Conditions. . ACS Catalysis, 98, 7578-7587. 2019.
Practical Considerations for Continuum Models Applied to Surface Electrochemistry. . ChemPhysChem, 20, 1-8. 2019.
Precious Metal-Free Nickel Nitride Catalyst for the Oxygen Reduction Reaction. . ACS Applied Materials Interfaces, 11, 26863-26871. 2019.
Insights into the Electrochemical Oxygen Evolution Reaction with ab Initio Calculations and Microkinetic Modeling: Beyond the Limiting Potential Volcano. . Journal of Physical Chemistry C, 123, 18960-18977. 2019.
High-throughput screening of solid-state Li-ion conductors using lattice-dynamics descriptors. . iScience, 16, 270-282. 2019.
Specific Reaction Parameter Density Functional Based on the Meta-Generalized Gradient Approximation: Application to H2 + Cu(111) and H2 + Ag(111). . Journal of Physical Chemistry A. 2019.
Directing Selectivity in Catalysis with Surface Area: Electrochemically Converting Carbon Monoxide to Liquid Fuels. . Nature Catalysis, 2, 702-708. 2019.
pH effects on hydrogen evolution and oxidation over Pt(111): Insights from first principles. . ACS Catalysis. 2019.
Trends in Oxygen Electrocatalysis of 3d-Layered (Oxy)(Hydro)Oxides. . ChemCatChem. 2019.
Stabilization of reactive Co4O4 cubane oxygen-evolution catalysts within porous frameworks. . Proceedings of the national academy of sciences. 2019.
Catalysis-Hub.org, an open electronic structure database for surface reactions. . Nature Scientific Data, 6, 75. 2019.
High-throughput calculations of catalytic properties of bimetallic alloy surfaces. . Scientific Data , 6, 76. 2019.
Self-Selective Catalyst Synthesis for CO2 Reduction. . Joule, 3, 1927-1936. 2019.
Progress and Perspectives of Electrochemical CO2 Reduction on Copper in Aqueous Electrolyte. . Chemical Reviews, 119, 7610-7672. 2019.
Electrolyte Effects on the Stability of Ni-Mo Cathodes for the Hydrogen Evolution Reaction.. . ChemSusChem, 12, 3491-3500. 2019.
Machine Learning for Computational Heterogeneous Catalysis. . ChemCatChem, 11, 3581-3601. 2019.
What would it take for renewably-powered electrosynthesis to displace petrochemical processes?. . Science, 364, eaav3506. 2019.
Multi-ion Conduction in Li3OCl Glass Electrolytes. . Journal of Physical Chemistry Letters, 10, 2264-2269. 2019.
The Role of Aluminum in Promoting Ni–Fe–OOH Electrocatalysts for the Oxygen Evolution Reaction. . ACS Applied Energy Materials, 2, 3488. 2019.
Predicting Adsorption Properties of Catalytic Descriptors on Bimetallic Nanoalloys with Site-Specific Precision. . The Journal of Physical Chemistry Letters, 10, 1852-1859. 2019.
Influence of Atomic Surface Structure on the Activity of Ag for the Electrochemical Reduction of CO2 to CO. . ACS Catalysis, 9, 4006-4014. 2019.
Revealing the synergy between oxide and alloy phases on the performance of bimetallic In-Pd catalysts for CO2 hydrogenation to methanol. . ACS Catalysis, 9, 3399-3412. 2019.
Electrochemical flow cell enabling operando probing of electrocatalyst surfaces by X-ray spectroscopy and diffraction. . Physical Chemistry Chemical Physics, 21, 5402-5408. 2019.
Graph Theory Approach to High-Throughput Surface Adsorption Structure Generation. . Journal of Physical Chemistry A, 123, 2281-2285. 2019.
Absence of Oxidized Phases in Cu under CO Reduction Conditions. . ACS Energy Letters, 4, 803-804. 2019.
A coordination-based model for transition metal alloy nanoparticles. . Nanoscale, 11, 4438-4452. 2019.
Enhancing Electrocatalytic Water Splitting by Strain Engineering. . Advanced Materials, 31, 1807001. 2019.
Selective and Efficient Gd-Doped BiVO4 Photoanode for Two-Electron Water Oxidation to H2O2. . ACS Energy Letters, 4, 720-728. 2019.