Displaying 201 - 250 of 582
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.
Mechanistic Insights into the Synthesis of Higher Alcohols from Syngas on CuCo Alloys. . ACS Catalysis, 8, 10148-10155. 2018.
Tuning Methane Activation Chemistry on Alkaline Earth Metal Oxides by Doping. . The Journal of Physical Chemistry C, 122 , 22544-22548. 2018.
Discovery of a highly active molybdenum phosphide catalyst for methanol synthesis from CO and CO2. . Angewandte Chemie, 130, 15265-15270. 2018.
Low-Temperature Methane Partial Oxidation to Syngas with Modular Nanocrystal Catalysts. . ACS Applied Nano Materials, 1 , 5258-5267. 2018.
Understanding the apparent fractional charge of protons in the aqueous electrochemical double layer. . Nature Communications, 9, 3202 . 2018.
A Strong Support Effect in Selective Propane Dehydrogenation Catalyzed by Ga(i-Bu)3 Grafted onto γ-Alumina and Silica. . ACS Catalysis, 8, 7566-7577. 2018.
Direct Methane to Methanol: The Selectivity-Conversion Limit and Design Strategies. . ACS Catalysis, 8, 6894. 2018.
Theoretical investigation of methane oxidation on Pd (111) and other metallic surfaces. . The Journal of Physical Chemistry C, 122, 16023-16032. 2018.
The Role of Subsurface Oxygen on Cu Surfaces for CO2 Electrochemical Reduction. . Journal of Physical Chemistry C, 122 , 16209-16215. 2018.
Theoretical Investigations of Transition-Metal Surface Energies Under Lattice Strain and CO Environment. . The Journal of Physical Chemistry C, 122 , 14481-14487. 2018.
Designing Boron Nitride Islands in Carbon Materials for Efficient Electrochemical Synthesis of Hydrogen Peroxide. . Journal of the American Chemical Society, 140, 7851-7859. 2018.
On the Nature of Lone Pair–Surface Bonds and Their Scaling Relations. . Inorganic Chemistry, 57 , 7222-7238. 2018.
Standards and Protocols for Data Acquisition and Reporting for Studies of the Electrochemical Reduction of Carbon Dioxide. . ACS Catalysis, 8, 6560-6570. 2018.
The Predominance of Hydrogen Evolution on Transition Metal Sulfides and Phosphides under CO2 Reduction Conditions: An Experimental and Theoretical Study. . ACS Energy Letters, 3, 1450-1457. 2018.
Trends in adsorption of electrocatalytic water splitting intermediates on cubic ABO3 oxides. . Physical Chemistry Chemical Physics, 20, 3813-3818. 2018.
The Role of Sodium in Tuning Product Distribution in Syngas Conversion by Rh Catalysts. . Catalysis Letters, 148, 289
SBH10: A Benchmark Database of Barrier Heights on Transition Metal Surfaces. . The Journal of Physical Chemistry C, 121, 19807-19815. 2017.
Computational Design of Active Site Structures with Improved Transition-State Scaling for Ammonia Synthesis. . ACS Catalysis, 8, 4017-4024. 2018.
A theoretical study of the effect of a non-aqueous proton donor on electrochemical ammonia synthesis. . Physical Chemistry Chemical Physics, 20, 4982. 2018.
Spin Uncoupling in Chemisorbed OCCO and CO2–Two High-Energy Intermediates in Catalytic CO2 Reduction. . The Journal of Physical Chemistry C, 122, 12251-12258. 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.