Displaying 151 - 200 of 557
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.
Directing Selectivity in Catalysis with Surface Area: Electrochemically Converting Carbon Monoxide to Liquid Fuels. . Nature Catalysis, 2, 702-708. 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.
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.
High-throughput calculations of catalytic properties of bimetallic alloy surfaces. . Scientific Data , 6, 76. 2019.
Catalysis-Hub.org, an open electronic structure database for surface reactions. . Nature Scientific Data, 6, 75. 2019.
Tungstenocene-grafted silica catalysts for the selective epoxidation of alkenes. . Applied Catalysis A: General, 581, 133-142. 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.
Low-Scaling Algorithm for Nudged Elastic Band Calculations Using a Surrogate Machine Learning Model. . Physical Review Letters, 122, 156001. 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.
A high-throughput energy-dispersive tender X-ray spectrometer for shot-to-shot sulfur measurements. . Journal of Synchrotron Radiation, 26, 629. 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.
Development of MoP catalysts for higher alcohol synthesis from syngas by exploiting support and promoter effects. . Energy Technology. 2019.
Identification of the active complex for CO oxidation over single-atom Ir-on-MgAl2O4 catalysts. . Nature Catalysis, 2, 149-156. 2019.
Role of Co2C in ZnO-promoted Co Catalysts for Alcohol Synthesis from Syngas. . ChemCatChem, 11, 799-809. 2018.
Noble metal supported hexagonal boron nitride for the oxygen reduction reaction: a DFT study. . Nanoscale Advances, 1, 132-139. 2019.
Probing Atomic Distributions in Mono- and Bimetallic Nanoparticles by Supervised Machine Learning. . Nano Letters, 19, 520-529. 2019.
pH effects on the electrochemical reduction of CO(2) towards C2 products on stepped copper. . Nature Communications, 10. 2019.
CaSnO3: An Electrocatalyst for Two-Electron Water Oxidation Reaction to Form H2O2. . ACS Energy Letters, 4, 352-357. 2019.
Prediction of stable and active (oxy-hydro) oxide nanoislands on noble metal supports for electrochemical oxygen reduction reaction. . ACS Applied Materials & Interfaces. 2018.
Gas-Diffusion Electrodes for Carbon Dioxide Reduction: A New Paradigm. . ACS Energy Letters, 4, 317-324. 2019.
An electronic structure descriptor for oxygen reactivity at metal and metal-oxide surfaces. . Surface Science, 681, 122. 2019.
Theoretical Approaches to Describing the Oxygen Reduction Reaction Activity of Single Atom Catalysts. . Journal of Physical Chemistry C, 122 , 29307. 2018.
Guiding Electrochemical Carbon Dioxide Reduction Toward Carbonyls Using Copper Silver Thin Films with Interphase Miscibility. . ACS Energy Letters, 3, 2947-2955. 2018.
Combining Experiment and Theory to Unravel the Mechanism of Two-Electron Oxygen Reduction at a Selective and Active Co-Catalyst. . ACS Catalysis. 2018.
Comparison of Sintering by Particle Migration and Ripening through First-Principles-Based Simulations. . The Journal of Physical Chemistry C, 122, 26563-26569. 2018.
In situ observation of phase changes of a silica-supported cobalt catalyst for the Fischer-Tropsch process by the development of a synchrotron-compatible in situ/operando powder X-ray diffraction cell. . Journal of Synchrotron Radiation, 25, 1673-1682. 2018.
Improved CO2 reduction activity towards C2+ alcohols on a tandem gold on copper electrocatalyst. . Nature Catalysis, 1, 764-771. 2018.
Theoretical and Experimental Studies of CoGa Catalysts for the Hydrogenation of CO2 to Methanol. . Catalysis Letters, 148, 3583-3591. 2018.
Strongly Modified Scaling of CO Hydrogenation in Metal Supported TiO Nanostripes. . ACS Catalysis, 8, 10555. 2018.
Synthesis of Colloidal Pd/Au Dilute Alloy Nanocrystals and Their Potential for Selective Catalytic Oxidations. . Journal of American Chemical Society, 140, 12930-12939. 2018.