SUNCAT Publications
Displaying 1 - 50 of 605
Electrodialysis and nitrate reduction (EDNR) to enable distributed ammonia manufacturing from wastewaters. . Energy and Environmental Science. 2024.
Addressing challenges for operating electrochemical solar fuels technologies under variable and diurnal conditions. . Frontiers in Energy Research, 12. 2024.
In situ formation of liquid crystal interphase in electrolytes with soft templating effects for aqueous dual-electrode-free batteries. . Nature Energy. 2024.
CO2 Conversion to Butene via a Tandem Photovoltaic–Electrochemical/Photothermocatalytic Process: A Co-Design Approach to Coupled Microenvironments. . ACS Energy Letters, 4369-4377. 2024.
Density Functional Tight-Binding Models for Band Structures of Transition-Metal Alloys and Surfaces across the d-Block. . Journal of Chemical Theory and Computation. 2024.
Alkali Cation-Induced Cathodic Corrosion in Cu Electrocatalysts. . Nature Communications , 15, 5080. 2024.
Application of machine learning to discover new intermetallic catalysts for the hydrogen evolution and the oxygen reduction reactions. . Catalysis Science and Technology, 14, 3784-3799. 2024.
Sub-Volt Conversion of Activated Biochar and Water for H2 Production near Equilibrium via Biochar-Assisted Water Electrolysis. . Cell Reports Physical Science, 5, 102013. 2024.
Coverage, repulsion, and reactivity of hydrogen on High-Entropy alloys. . Journal of Catalysis, 435, 115570. 2024.
Machine learning for accuracy in density functional approximations. . Journal of Computational Chemistry. 2024.
Interpretable Machine Learning Models for Practical Antimonate Electrocatalyst Performance. . ChemPhysChem. 2024.
Prediction of O and OH Adsorption on Transition Metal Oxide Surfaces from Bulk Descriptors. . ACS Catalysis, 14,, 5286-5296. 2024.
Factors affecting the electron conductivity in single crystal Li7La3Zr2O12 and Li7P3S11. . ACS Appl. Energy Mater.. 2024.
Revealing Local and Directional Aspects of Catalytic Active Sites by the Nuclear and Surface Electrostatic Potential. . The Journal of Physical Chemistry C, 128, 4544-4558. 2024.
A Ce-CuZn catalyst with abundant Cu/Zn-OV-Ce active sites for CO2 hydrogenation to methanol. . Nature Communications
Modeling diurnal and annual ethylene generation from solar-driven electrochemical CO2 reduction devices. . Energy and Environmental Science. 2024.
Understanding the Electronic and Structural Effects in ORR Intermediate Binding on Anion-Substituted Zirconia Surfaces. . ChemPhysChem, e202300865. 2024.
Multi-scale physics of bipolar membranes in electrochemical processes. . Nature Chemical Engineering, 1, 45-60. 2024.
A first principles approach to modeling surface site stabilities on multi-metallic catalysts. . ACS Catalysis, 14, 874-885. 2024.
Controlling Mass Transport in Direct Carbon Dioxide Zero-Gap Electrolyzers via Cell Compression. . ACS Sustainable Chemistry & Engineering, 11, 16661-16668. 2023.
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.
Studying, Promoting, Exploiting, and Predicting Catalyst Dynamics: the Next Frontier in Heterogeneous Catalysis. . Journal of Physical Chemistry C, 127, 2127-2146. 2023.
Material Changes in Electrocatalysis: An In Situ/Operando Focus on the Dynamics of Cobalt-Based Oxygen Reduction and Evolution Catalysts. . ChemElectroChem. 2022.
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.