SUNCAT Publications
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Number of sites-based solver for determining coverages from steady-state mean-field micro-kinetic models. . Journal of Computational Chemistry. 2023.
Protocol for assembling and operating bipolar membrane water electrolyzers. . STAR Protocols, 4. 2023.
Calcium-mediated nitrogen reduction for electrochemical ammonia synthesis. . Nature Materials. 2023.
Classification of Adsorbed Hydrocarbons Based on Bonding Configurations of the Adsorbates and Surface Site Stabilities. . ACS Catalysis. 2023.
Quantifying Influence of the Solid-Electrolyte Interphase in Ammonia Electrosynthesis. . ACS Energy Letters, 4024-4032. 2023.
Synergistic Effects of Mixing and Strain in High Entropy Spinel Oxides for Oxygen Evolution Reaction. . Nature Communications. 2023.
A Comparative Study of Electrical Double Layer Effects for CO Reduction Reaction Kinetics. . Journal of Physical Chemistry C. 2023.
Development of a versatile electrochemical cell for in situ grazing-incidence X-ray diffraction during non-aqueous electrochemical nitrogen reduction. . Journal of Synchrotron Radiation, 30. 2023.
Dynamic and reversible transformations of subnanometre-sized palladium on ceria for efficient methane removal. . Nature Catalysis, 6, 618-627. 2023.
Combined, Time-Resolved, in Situ Neutron Reflectometry and X-Ray Diffraction Analysis of Dynamic SEI Formation during Electrochemical N2 Reduction. . Energy and Environmental Science. 2023.
Tracking the Dynamics of a Ag-MnOx Oxygen Reduction Catalyst Using In Situ and Operando X-ray Absorption Near-Edge Spectroscopy. . ACS Energy Letters, 2962-2969. 2023.
A Framework for Understanding Efficient Diurnal CO2 Reduction Using Si and GaAs Photocathodes. . Chem Catalysis. 2023.
Assessing catalytic rates of bimetallic nanoparticles with active-site specificity: A case study using NO decomposition. . Chem Catalysis, 3. 2023.
FEFOS: A method to derive oxide formation energies from oxidation states. . Catalysis Science & Technology. 2023.
Ferricyanide photo-aquation pathway revealed by combined femtosecond Kβ main line and valence-to-core x-ray emission spectroscopy. . Nature Communications, 14. 2023.
Co-Designing Electrocatalytic Systems with Separations To Improve the Sustainability of Reactive Nitrogen Management. . ACS Catalysis, 13, 6268-6279. 2023.
Toward Carbon Monoxide Methanation at Mild Conditions on Dual-Site Catalysts. . Journal of the American Chemical Society, 145, 8726-8733. 2023.
Insights into Active Sites and Mechanisms of Benzyl Alcohol Oxidation on Nickel–Iron Oxyhydroxide Electrodes. . ACS Catalysis
Reliable reporting of Faradaic efficiencies for electrocatalysis research. . Nature Communications, 14. 2023.
X-ray free electron laser studies of electron and phonon dynamics of graphene adsorbed on copper. . Phys. Rev. Materials, 7, 024005. 2023.
Interpretable design of Ir-free trimetallic electrocatalysts for ammonia oxidation with graph neural networks. . Nature Communication, 14, 792. 2023.
Material Changes in Electrocatalysis: An In Situ/Operando Focus on the Dynamics of Cobalt-Based Oxygen Reduction and Evolution Catalysts. . ChemElectroChem. 2022.
Studying, Promoting, Exploiting, and Predicting Catalyst Dynamics: the Next Frontier in Heterogeneous Catalysis. . Journal of Physical Chemistry C, 127, 2127-2146. 2023.
Colloidally Engineered Pd and Pt Catalysts Distinguish Surface-and Vapor-Mediated Deactivation Mechanisms. . ACS Catalysis, 13, 1812-1822. 2023.
Atom-Specific Probing of Electron Dynamics in an Atomic Adsorbate by Time-Resolved X-Ray Spectroscopy. . Phys. Rev. Lett., 129, 276001. 2022.
Resolving Atomistic Structure and Oxygen Evolution Activity in Nickel Antimonates. . Journal of Materials Chemistry A , 11 , 5166-5178. 2023.
Selectivity of Electrochemical Ion Insertion into Manganese Dioxide Polymorphs. . ACS Applied Materials & Interfaces , 15 , 1513-1524. 2022.
Understanding the Stability of Manganese Chromium Antimonate Electrocatalysts through Multimodal In Situ and Operando Measurements. . Journal of the American Chemical Society, 144, 22549-22561. 2022.
A Versatile Li0.5FePO4 Reference Electrode for Nonaqueous Electrochemical Conversion Technologies. . ACS Energy Letters, 8, 230-235. 2022.
Symmetry-resolved CO desorption and oxidation dynamics on O/Ru(0001) probed at the C K-edge by ultrafast X-ray spectroscopy. . J. Chem. Phys.. 2022.
Strategies for Modulating the Catalytic Activity and Selectivity of Manganese Antimonates for the Oxygen Reduction Reaction. . ACS Catalysis, 12, 10826-10840. 2022.
Acid anion electrolyte effects on platinum for oxygen and hydrogen electrocatalysis. . Communications Chemistry, 5. 2022.
Electronic structure factors and the importance of adsorbate effects in chemisorption on surface alloys. . npj Computational Materials, 8, 163. 2022.
New challenges in oxygen reduction catalysis: a consortium retrospective to inform future research. . Energy & Environmental Science, 15, 3775-3794. 2022.
Screening binary alloys for electrochemical CO 2 reduction towards multi-carbon products. . Journal of Materials Chemistry A, 10, 16171-16181. 2022.
Addressing solar photochemistry durability with an amorphous nickel antimonate photoanode. . Cell Reports Physical Science. 2022.
Efficient and Stable Acidic Water Oxidation Enabled by Low-Concentration, High-Valence Iridium Sites. . ACS Energy Letters. 2022.
Origins of Wear-Induced Tungsten Corrosion Defects in Semiconductor Manufacturing during Tungsten Chemical Mechanical Polishing. . Applied Surface Science, 598, 153767. 2022.
Enhancing the connection between computation and experiments in electrocatalysis. . Nature Catalysis, 5, 374-381. 2022.
Lithium-Mediated Electrochemical Nitrogen Reduction: Tracking Electrode–Electrolyte Interfaces via Time-Resolved Neutron Reflectometry. . ACS Energy Letters, 7, 1939-1946. 2022.
Data-driven and constrained optimization of semi-local exchange and nonlocal correlation functionals for materials and surface chemistry. . J. Comput. Chem.. 2022.
Unraveling Electronic Trends in O* and OH* Surface Adsorption in the MO2 Transition-Metal Oxide Series. . Journal of Physical Chemistry C, 126, 7903-7909. 2022.
First-Row Transition Metal Antimonates for the Oxygen Reduction Reaction. . ACS Nano, 16, 6334-6348. 2022.
Hubbard-corrected oxide formation enthalpies without adjustable parameters. . J. Phys. Commun.. 2022.
Catalytic Performance and Near-Surface X-ray Characterization of Titanium Hydride Electrodes for the Electrochemical Nitrate Reduction Reaction. . Journal of the American Chemical Society, 144, 5739-5744. 2022.