Displaying 1 - 50 of 345
Direct Methane to Methanol: The Selectivity-Conversion Limit and Design Strategies. . ACS Catalysis, 8, 6894. 2018.
Theoretical Investigations of Transition-Metal Surface Energies Under Lattice Strain and CO Environment. . The Journal of Physical Chemistry C. 2018.
The Role of Subsurface Oxygen on Cu Surfaces for CO2 Electrochemical Reduction. . Journal of Physical Chemistry C. 2018.
Designing Boron Nitride Islands in Carbon Materials for Efficient Electrochemical Synthesis of Hydrogen Peroxide. . Journal of the American Chemical Society. 2018.
On the Nature of Lone Pair–Surface Bonds and Their Scaling Relations. . Inorganic Chemistry, 57 , 7222-7238. 2018.
SBH10: A Benchmark Database of Barrier Heights on Transition Metal Surfaces. . Journal of Physical Chemistry C, 121, 19807. 2017.
Computational Design of Active Site Structures with Improved Transition-State Scaling for Ammonia Synthesis. . ACS Catalysis, 8, 4017-4024. 2018.
Trends in adsorption of electrocatalytic water splitting intermediates on cubic ABO3 oxides. . Physical Chemistry Chemical Physics, 20, 3813-3818. 2018.
A theoretical study of the effect of a non-aqueous proton donor on electrochemical ammonia synthesis. . Physical Chemistry Chemical Physics, 20, 4982. 2018.
The Role of Sodium in Tuning Product Distribution in Syngas Conversion by Rh Catalysts. . Catalysis Letters, 148, 289
Understanding the apparent fractional charge of protons in the aqueous electrochemical double layer. . Nature Communications. 2018.
Spin Uncoupling in Chemisorbed OCCO and CO2 – Two High-Energy Intermediates in Catalytic CO2 Reduction. . The Journal of Physical Chemistry C. 2018.
Copper Silver Thin Films with Metastable Miscibility for Oxygen Reduction Electrocatalysis in Alkaline Electrolytes. . ACS Applied Energy Materials, 1, 1990-1999. 2018.
Theoretical Investigations of the Electrochemical Reduction of CO on Single Metal Atoms Embedded in Graphene. . ACS Central Science, 3, 1286-1293. 2017.
Structure‐Sensitive Scaling Relations: Adsorption Energies from Surface Site Stability. . ChemCatChem, 10, 1643-1650. 2018.
Single Metal Atoms Anchored in Two-Dimensional Materials: Bifunctional Catalysts for Fuel Cell Applications. . Chem Cat Chem, 10, 1-7. 2018.
Selectivity of synthesis gas conversion to C2+ oxygenates on fcc (111) transition metal surfaces. . ACS Catalysis, 8, 3447-3453. 2018.
Trends in the Catalytic Activity of Hydrogen Evolution during CO2 Electroreduction on Transition Metals. . ACS Catalysis, 8, 3035-3040. 2018.
Generic approach to access barriers in dehydrogenation reactions. . Communications Chemistry, 1, 2. 2018.
Ultrathin Cobalt Oxide Overlayer Promotes Catalytic Activity of Cobalt Nitride for the Oxygen Reduction Reaction. . The Journal of Physical Chemistry C, 122, 4783-4791. 2018.
High-efficiency oxygen reduction to hydrogen peroxide catalysed by oxidized carbon materials. . Nature Catalysis, 156-162. 2018.
Metal ion cycling of Cu foil for selective C–C coupling in electrochemical CO2 reduction. . Nature Catalysis, 1, 111-119. 2018.
Engineering Ru@Pt Core-Shell Catalysts for Enhanced Electrochemical Oxygen Reduction Mass Activity and Stability. . Nanomaterials, 8, 38. 2018.
Defective Carbon-Based Materials for the Electrochemical Synthesis of Hydrogen Peroxide. . ACS Sustainable Chemistry & Engineering, 6, 311-317. 2018.
Formic Acid Dissociative Adsorption on NiO(111): Energetics and Structure of Adsorbed Formate. . The Journal of Physical Chemistry C, 121, 28001-28006. 2017.
Cation-exchanged zeolites for the selective oxidation of methane to methanol . . Catalysis Science & Technology. 2017.
High-efficiency Oxygen Reduction to Hydrogen Peroxide Catalyzed by Oxidized Carbon Materials . . Nature Catalysis. 2017.
Impact of Nanostructuring on the Photoelectrochemical Performance of Si-Ta3N5 Nanowire Photoanodes. . Journal of Physical Chemistry C, 27295-27302. 2017.
Highly Stable Molybdenum Disulfide Protected Silicon Photocathodes for Photoelectrochemical Water Splitting. . Applied Materials & Interfaces. 2017.
Theoretical Investigations into Defected Graphene for electrochemical Reduction of CO2. . ACS Sustainable Chemistry and Engineering. 2017.
Systematic Structure–Property Relationship Studies in Palladium-Catalyzed Methane Complete Combustion. . ACS Catalysis, 7, 7810-7821. 2017.
Electrochemical CO2 Reduction over Compressively Strained CuAg Surface Alloys with Enhanced Multi-Carbon Oxygenate Selectivity. . Journal of the American Chemical Society. 2017.
Effects of Ta3N5 Morphology and Composition on the Performance of Si-Ta3N5 Photoanodes. . Solar RRL. 2017.
Configurational Energies of Nanoparticles Based on Metal–Metal Coordination. . The Journal of Physical Chemistry C, 121, 23002-23010. 2017.
Building upon the Koutecky-Levich Equation for Evaluation of Next-Generation Oxygen Reduction Reaction Catalysts. . Electrochimica Acta, 255, 99-108. 2017.
Core–Shell Au@Metal-Oxide Nanoparticle Electrocatalysts for Enhanced Oxygen Evolution. . Nano Letters. 2017.
Effects of redox-active interlayer anions on the oxygen evolution reactivity of NiFe-layered double hydroxide nanosheets. . Nano Research. 2017.
Trends in Adsorption Energies of the Oxygenated Species on Single Platinum Atom Embedded in Carbon Nanotubes. . Catalysis Letters, 147, 2689-2696. 2017.
Understanding Activity Trends in Electrochemical Water Oxidation to form Hydrogen Peroxide. . Nature Communications. 2017.
Transition metal atoms in a graphene shell as active centers for highly efficient artificial photosynthesis. . Chem. 2017.
Investigating Catalyst–Support Interactions To Improve the Hydrogen Evolution Reaction Activity of Thiomolybdate [Mo3S13]2– Nanoclusters. . ACS Catalysis, 7, 7126-7130. 2017.
Ammonia synthesis from N2 and H2O using a lithium cycling electrification strategy at atmospheric pressure. . Energy and Environmental Science, 10, 1621-1630. 2017.
A Theoretical Investigation into the Role of Surface Defects for Oxygen Evolution on RuO2. . Journal of Physical Chemistry C, 121, 18516-18524. 2017.
Real-time elucidation of catalytic pathways in CO hydrogenation on Ru. . The journal of physical chemistry letters, 8, 3820-3825. 2017.
Machine-Learning Methods Enable Exhaustive Searches for Active Bimetallic Facets and Reveal Active Site Motifs for CO2 Reduction. . ACS Catalysis, 7, 6600. 2017.
Promoter effects of alkali metal cations on the electrochemical reduction of carbon dioxide. . Journal of the American Chemical Society, 139, 11277-11287. 2017.
Polyol Synthesis of Cobalt–Copper Alloy Catalysts for Higher Alcohol Synthesis from Syngas. . Catalysis Letters, 147, 5399-5409. 2017.
Effects of Gold Substrates on the Intrinsic and Extrinsic Activity of High-Loading Nickel-Based Oxyhydroxide Oxygen Evolution Catalysts. . ACS Catalysis, 7, 5399-5409. 2017.
Theoretical Insights into Methane C–H Bond Activation on Alkaline Metal Oxides. . Journal of Physical Chemistry C, 121, 16440-16446. 2017.
Rh-MnO Interface Sites Formed by Atomic Layer Deposition Promote Syngas Conversion to Higher Oxygenates. . ACS Catalysis, 7, 5746-5757. 2017.