@article{https://authors.library.caltech.edu/records/13wfy-k0t39, title = "A covalent molecular design enabling efficient CO₂ reduction in strong acids", journal = "Nature Synthesis", publisher = "Nature Publishing Group", url = "https://authors.library.caltech.edu/records/13wfy-k0t39", id = "record", issn = "2731-0582", doi = "10.1038/s44160-024-00588-4" } @article{https://authors.library.caltech.edu/records/j4cdp-9b942, title = "Prediction of Feasibility of Polaronic OER on (110) Surface of Rutile TiO₂", journal = "ChemPhysChem", publisher = "Wiley", url = "https://authors.library.caltech.edu/records/j4cdp-9b942", id = "record", issn = "1439-4235", doi = "10.1002/cphc.202400060", volume = "25", number = "11" } @article{https://authors.library.caltech.edu/records/bmj14-tyb04, title = "Accelerated screening of gas diffusion electrodes for carbon dioxide reduction", journal = "Digital Discovery", publisher = "Royal Society of Chemistry", url = "https://authors.library.caltech.edu/records/bmj14-tyb04", id = "record", issn = "2635-098X", doi = "10.1039/D4DD00061G", volume = "3", number = "6" } @article{https://authors.library.caltech.edu/records/6ngna-4d847, title = "Edge sites dominate the hydrogen evolution reaction on platinum nanocatalysts", journal = "Nature Catalysis", publisher = "Nature Publishing Group", url = "https://authors.library.caltech.edu/records/6ngna-4d847", id = "record", issn = "2520-1158", doi = "10.1038/s41929-024-01156-x" } @article{https://authors.library.caltech.edu/records/z55y2-m8t18, title = "Potassium ion modulation of the Cu electrode-electrolyte interface with ionomers enhances CO₂ reduction to C₂₊ products", journal = "Joule", publisher = "Cell Press", url = "https://authors.library.caltech.edu/records/z55y2-m8t18", id = "record", issn = "2542-4351", doi = "10.1016/j.joule.2024.03.019", volume = "8", number = "5" } @article{https://authors.library.caltech.edu/records/3nc5y-wq154, title = "Electrode Surface Heating with Organic Films Improves CO₂ Reduction Kinetics on Copper", journal = "ACS Energy Letters", publisher = "American Chemical Society", url = "https://authors.library.caltech.edu/records/3nc5y-wq154", id = "record", issn = "2380-8195", doi = "10.1021/acsenergylett.4c00204", volume = "9", number = "4", pmcid = "PMC11019637" } @article{https://authors.library.caltech.edu/records/5cg7f-40468, title = "Determining Quasi-Equilibrium Electron and Hole Distributions of Plasmonic Photocatalysts Using Photomodulated X-ray Absorption Spectroscopy", journal = "ACS Nano", publisher = "American Chemical Society", url = "https://authors.library.caltech.edu/records/5cg7f-40468", id = "record", issn = "1936-0851", doi = "10.1021/acsnano.3c08181", volume = "18", number = "13", pmcid = "PMC10993415" } @article{https://authors.library.caltech.edu/records/zfkbv-w7v86, title = "CO₂-Promoted Electrocatalytic Reduction of Chlorinated Hydrocarbons", journal = "Journal of the American Chemical Society", publisher = "American Chemical Society", url = "https://authors.library.caltech.edu/records/zfkbv-w7v86", id = "record", issn = "0002-7863", doi = "10.1021/jacs.3c14564", volume = "146", number = "12" } @article{https://authors.library.caltech.edu/records/x321j-1fp56, title = "Accelerated Characterization of Electrode‐Electrolyte Equilibration", journal = "ChemCatChem", publisher = "Wiley", url = "https://authors.library.caltech.edu/records/x321j-1fp56", id = "record", issn = "1867-3880", doi = "10.1002/cctc.202301300", volume = "16", number = "6" } @article{https://authors.library.caltech.edu/records/ahd8v-qry31, title = "Coherent charge hopping suppresses photoexcited small polarons in ErFeO₃ by antiadiabatic formation mechanism", journal = "Science Advances", publisher = "American Association for the Advancement of Science", url = "https://authors.library.caltech.edu/records/ahd8v-qry31", id = "record", issn = "2375-2548", doi = "10.1126/sciadv.adk4282", volume = "10", number = "12", pmcid = "PMC10954221" } @article{https://authors.library.caltech.edu/records/qxcsn-sds62, title = "Electrochemical Nitrate Reduction Catalyzed by Two-Dimensional Transition Metal Borides", journal = "Journal of Physical Chemistry Letters", publisher = "American Chemical Society", url = "https://authors.library.caltech.edu/records/qxcsn-sds62", id = "record", issn = "1948-7185", doi = "10.1021/acs.jpclett.4c00054", volume = "15", number = "7" } @article{https://authors.library.caltech.edu/records/y0dyj-gv779, title = "Event-driven data management with cloud computing for extensible materials acceleration platforms", journal = "Digital Discovery", publisher = "Royal Society of Chemistry", url = "https://authors.library.caltech.edu/records/y0dyj-gv779", id = "record", issn = "2635-098X", doi = "10.1039/d3dd00220a", volume = "3", number = "2" } @article{https://authors.library.caltech.edu/records/aprev-2xs06, title = "Molecular Additives Improve the Selectivity of CO₂ Photoelectrochemical Reduction over Gold Nanoparticles on Gallium Nitride", journal = "Nano Letters", publisher = "American Chemical Society", url = "https://authors.library.caltech.edu/records/aprev-2xs06", id = "record", issn = "1530-6984", doi = "10.1021/acs.nanolett.3c03590", volume = "24", number = "4" } @article{https://authors.library.caltech.edu/records/hy8bm-btb31, title = "Dual atom catalysts for rapid electrochemical reduction of CO to ethylene", journal = "Nano Energy", publisher = "Elsevier", url = "https://authors.library.caltech.edu/records/hy8bm-btb31", id = "record", issn = "2211-2855", doi = "10.1016/j.nanoen.2023.108966", volume = "118, Pt. A" } @other{https://authors.library.caltech.edu/records/3134j-2yq71, title = "Physically Informed Graph-Based Deep Reasoning Net for Efficient Combinatorial Phase Mapping", publisher = "IEEE", url = "https://authors.library.caltech.edu/records/3134j-2yq71", id = "record", isbn = "979-8-3503-4534-6", doi = "10.1109/icmla58977.2023.00061" } @article{https://authors.library.caltech.edu/records/c6455-b6n11, title = "Analysis of bipolar membranes for electrochemical CO₂ capture from air and oceanwater", journal = "Energy \& Environmental Science", publisher = "Royal Society of Chemistry", url = "https://authors.library.caltech.edu/records/c6455-b6n11", id = "record", issn = "1754-5692", doi = "10.1039/d3ee01606d", volume = "16", number = "11" } @article{https://authors.library.caltech.edu/records/eebq5-36z75, title = "Quantum mechanics based non-bonded force field functions for use in molecular dynamics simulations of materials and systems: The nitrogen and oxygen columns", journal = "Journal of Chemical Physics", publisher = "AIP Publishing", url = "https://authors.library.caltech.edu/records/eebq5-36z75", id = "record", issn = "0021-9606", doi = "10.1063/5.0174188", volume = "159", number = "16" } @article{https://authors.library.caltech.edu/records/am566-qz916, title = "CO₂ Reduction to Methane and Ethylene on a Single-Atom Catalyst: A Grand Canonical Quantum Mechanics Study", journal = "Journal of the American Chemical Society", publisher = "American Chemical Society", url = "https://authors.library.caltech.edu/records/am566-qz916", id = "record", issn = "0002-7863", doi = "10.1021/jacs.3c05650", volume = "145", number = "39", pmcid = "PMC10557142" } @article{https://authors.library.caltech.edu/records/xqcpz-vnh89, title = "Strain enhances the activity of molecular electrocatalysts via carbon nanotube supports", journal = "Nature Catalysis", publisher = "Nature Publishing Group", url = "https://authors.library.caltech.edu/records/xqcpz-vnh89", id = "record", issn = "2520-1158", doi = "10.1038/s41929-023-01005-3", volume = "6", number = "9" } @article{https://resolver.caltech.edu/CaltechAUTHORS:20230725-856998000.32, title = "Understanding hydrogen electrocatalysis by probing the hydrogen-bond network of water at the electrified Pt–solution interface", journal = "Nature Energy", publisher = "Nature Publishing Group", url = "https://resolver.caltech.edu/CaltechAUTHORS:20230725-856998000.32", id = "record", issn = "2058-7546", doi = "10.1038/s41560-023-01302-y" } @article{https://authors.library.caltech.edu/records/gtcgp-kp430, title = "ESAMP: event-sourced architecture for materials provenance management and application to accelerated materials discovery", journal = "Digital Discovery", publisher = "Royal Society of Chemistry", url = "https://authors.library.caltech.edu/records/gtcgp-kp430", id = "record", issn = "2635-098X", doi = "10.1039/d3dd00054k", volume = "2", number = "4" } @article{https://authors.library.caltech.edu/records/6fqp8-y9536, title = "The materials experiment knowledge graph", journal = "Digital Discovery", publisher = "Royal Society of Chemistry", url = "https://authors.library.caltech.edu/records/6fqp8-y9536", id = "record", issn = "2635-098X", doi = "10.1039/d3dd00067b", volume = "2", number = "4" } @article{https://resolver.caltech.edu/CaltechAUTHORS:20230725-47637000.1, title = "Assessing the Kinetics of Quinone–CO₂ Adduct Formation for Electrochemically Mediated Carbon Capture", journal = "ACS Sustainable Chemistry \& Engineering", publisher = "American Chemical Society", url = "https://resolver.caltech.edu/CaltechAUTHORS:20230725-47637000.1", id = "record", issn = "2168-0485", doi = "10.1021/acssuschemeng.3c03321", volume = "11", number = "30" } @article{https://resolver.caltech.edu/CaltechAUTHORS:20230615-812881000.20, title = "Local microenvironment tuning induces switching between electrochemical CO₂ reduction pathways", journal = "Journal of Materials Chemistry A", publisher = "Royal Society of Chemistry", url = "https://resolver.caltech.edu/CaltechAUTHORS:20230615-812881000.20", id = "record", issn = "2050-7488", doi = "10.1039/d3ta02558f", volume = "11", number = "25" } @article{https://authors.library.caltech.edu/records/fs031-ps690, title = "Coupling covariance matrix adaptation with continuum modeling for determination of kinetic parameters associated with electrochemical CO₂ reduction", journal = "Joule", publisher = "Cell Press", url = "https://authors.library.caltech.edu/records/fs031-ps690", id = "record", issn = "2542-4351", doi = "10.1016/j.joule.2023.05.007", volume = "7", number = "6" } @article{https://resolver.caltech.edu/CaltechAUTHORS:20230725-857124000.42, title = "Combinatorial synthesis for AI-driven materials discovery", journal = "Nature Synthesis", publisher = "Nature Publishing Group", url = "https://resolver.caltech.edu/CaltechAUTHORS:20230725-857124000.42", id = "record", issn = "2731-0582", doi = "10.1038/s44160-023-00251-4", volume = "2", number = "6" } @article{https://authors.library.caltech.edu/records/2v96x-s0579, title = "Tuning the Interfacial Electrical Field of Bipolar Membranes with Temperature and Electrolyte Concentration for Enhanced Water Dissociation", journal = "ACS Sustainable Chemistry \& Engineering", publisher = "American Chemical Society", url = "https://authors.library.caltech.edu/records/2v96x-s0579", id = "record", issn = "2168-0485", doi = "10.1021/acssuschemeng.3c00142", volume = "11", number = "21" } @other{https://resolver.caltech.edu/CaltechAUTHORS:20230524-373605000.1, title = "The Materials Experiment Knowledge Graph", url = "https://resolver.caltech.edu/CaltechAUTHORS:20230524-373605000.1", id = "record", doi = "10.26434/chemrxiv-2023-md55t" } @other{https://resolver.caltech.edu/CaltechAUTHORS:20230519-503348000.1, title = "Understanding hydrogen electrocatalysis by probing the hydrogen-bond network of water at the electrified Pt/solution interface", url = "https://resolver.caltech.edu/CaltechAUTHORS:20230519-503348000.1", id = "record", doi = "10.26434/chemrxiv-2021-gks2k" } @article{https://resolver.caltech.edu/CaltechAUTHORS:20230502-856709200.5, title = "Hydrodynamics Change Tafel Slopes in Electrochemical CO₂ Reduction on Copper", journal = "ACS Energy Letters", publisher = "American Chemical Society", url = "https://resolver.caltech.edu/CaltechAUTHORS:20230502-856709200.5", id = "record", issn = "2380-8195", doi = "10.1021/acsenergylett.3c00442", volume = "8", number = "5" } @article{https://resolver.caltech.edu/CaltechAUTHORS:20230524-374119000.15, title = "Partial Oxidation of Methane Enabled by Decatungstate Photocatalysis Coupled to Free Radical Chemistry", journal = "ACS Catalysis", publisher = "American Chemical Society", url = "https://resolver.caltech.edu/CaltechAUTHORS:20230524-374119000.15", id = "record", issn = "2155-5435", doi = "10.1021/acscatal.3c00750", volume = "13", number = "9" } @article{https://resolver.caltech.edu/CaltechAUTHORS:20230328-708572000.62, title = "Grand Canonical Quantum Mechanics with Applications to Mechanisms and Rates for Electrocatalysis", journal = "Topics in Catalysis", publisher = "Springer", url = "https://resolver.caltech.edu/CaltechAUTHORS:20230328-708572000.62", id = "record", issn = "1022-5528", doi = "10.1007/s11244-023-01794-8" } @article{https://resolver.caltech.edu/CaltechAUTHORS:20230425-441449400.4, title = "Topology induced crossover between Langevin, subdiffusion, and Brownian diffusion regimes in supercooled water", journal = "Physical Chemistry Chemical Physics", publisher = "Royal Society of Chemistry", url = "https://resolver.caltech.edu/CaltechAUTHORS:20230425-441449400.4", id = "record", issn = "1463-9076", doi = "10.1039/D2CP04645H", volume = "25", number = "15" } @article{https://resolver.caltech.edu/CaltechAUTHORS:20230328-709086800.69, title = "Single and dual metal atom catalysts for enhanced singlet oxygen generation and oxygen reduction reaction", journal = "Journal of Materials Chemistry A", publisher = "Royal Society of Chemistry", url = "https://resolver.caltech.edu/CaltechAUTHORS:20230328-709086800.69", id = "record", issn = "2050-7488", doi = "10.1039/D2TA08240C", volume = "11", number = "14" } @article{https://resolver.caltech.edu/CaltechAUTHORS:20230519-1502000.6, title = "The Materials Provenance Store", journal = "Scientific Data", publisher = "Nature Publishing Group", url = "https://resolver.caltech.edu/CaltechAUTHORS:20230519-1502000.6", id = "record", issn = "2052-4463", doi = "10.1038/s41597-023-02107-0", volume = "10", pmcid = "PMC10079965" } @article{https://resolver.caltech.edu/CaltechAUTHORS:20230404-448520900.3, title = "Direct observation of the local microenvironment in inhomogeneous CO₂ reduction gas diffusion electrodes via versatile pOH imaging", journal = "Energy and Environmental Science", publisher = "Royal Society of Chemistry", url = "https://resolver.caltech.edu/CaltechAUTHORS:20230404-448520900.3", id = "record", issn = "1754-5692", doi = "10.1039/D2EE02607D", volume = "16", number = "4" } @other{https://resolver.caltech.edu/CaltechAUTHORS:20230324-457152000.11, title = "Improving Molecular Catalyst Activity using Strain-Inducing Carbon Nanotube Supports", url = "https://resolver.caltech.edu/CaltechAUTHORS:20230324-457152000.11", id = "record", doi = "10.26434/chemrxiv-2022-r9r22" } @other{https://resolver.caltech.edu/CaltechAUTHORS:20230324-864199000.4, title = "Hydrodynamics Determine Tafel Slopes in Electrochemical CO₂ Reduction on Copper", url = "https://resolver.caltech.edu/CaltechAUTHORS:20230324-864199000.4", id = "record", doi = "10.26434/chemrxiv-2023-npdmn" } @article{https://resolver.caltech.edu/CaltechAUTHORS:20230420-698969800.6, title = "Correction: Single and dual metal atom catalysts for enhanced singlet oxygen generation and oxygen reduction reaction", journal = "Journal of Materials Chemistry A", publisher = "Royal Society of Chemistry", url = "https://resolver.caltech.edu/CaltechAUTHORS:20230420-698969800.6", id = "record", issn = "2050-7488", doi = "10.1039/d3ta90058d", volume = "11", number = "14" } @article{https://resolver.caltech.edu/CaltechAUTHORS:20230214-87246900.12, title = "Resolving atomistic structure and oxygen evolution activity in nickel antimonates", journal = "Journal of Materials Chemistry A", publisher = "Royal Society of Chemistry", url = "https://resolver.caltech.edu/CaltechAUTHORS:20230214-87246900.12", id = "record", issn = "2050-7488", doi = "10.1039/d2ta08854a", volume = "11", number = "10" } @article{https://resolver.caltech.edu/CaltechAUTHORS:20230307-207211000.41, title = "Organic Additive-derived Films on Cu Electrodes Promote Electrochemical CO₂ Reduction to C₂₊ Products Under Strongly Acidic Conditions", journal = "Angewandte Chemie International Edition", publisher = "Wiley", url = "https://resolver.caltech.edu/CaltechAUTHORS:20230307-207211000.41", id = "record", issn = "1433-7851", doi = "10.1002/anie.202216102", volume = "62", number = "12" } @article{https://resolver.caltech.edu/CaltechAUTHORS:20230314-846094500.85, title = "Measuring Photoexcited Electron and Hole Dynamics in ZnTe and Modeling Excited State Core-Valence Effects in Transient Extreme Ultraviolet Reflection Spectroscopy", journal = "Journal of Physical Chemistry Letters", publisher = "American Chemical Society", url = "https://resolver.caltech.edu/CaltechAUTHORS:20230314-846094500.85", id = "record", issn = "1948-7185", doi = "10.1021/acs.jpclett.2c03894", volume = "14", number = "8" } @article{https://resolver.caltech.edu/CaltechAUTHORS:20230420-614686900.9, title = "Reports From The Frontier-Heterogeneous Electrocatalysts for Sustainable Electrochemical Synthesis", journal = "Interface", publisher = "Electrochemical Society", url = "https://resolver.caltech.edu/CaltechAUTHORS:20230420-614686900.9", id = "record", issn = "1064-8208", doi = "10.1149/2.f05231if", volume = "32", number = "1" } @article{https://resolver.caltech.edu/CaltechAUTHORS:20230314-845495900.31, title = "In situ x-ray absorption investigations of a heterogenized molecular catalyst and its interaction with a carbon nanotube support", journal = "Journal of Chemical Physics", publisher = "American Institute of Physics", url = "https://resolver.caltech.edu/CaltechAUTHORS:20230314-845495900.31", id = "record", issn = "0021-9606", doi = "10.1063/5.0129724", volume = "158", number = "7" } @article{https://authors.library.caltech.edu/records/qp56h-g4b02, title = "Atomistic mechanisms for catalytic transformations of NO to NH₃, N₂O, and N₂ by Pd", journal = "Chinese Journal of Chemical Physics", publisher = "American Institute of Physics", url = "https://authors.library.caltech.edu/records/qp56h-g4b02", id = "record", issn = "1674-0068", doi = "10.1063/1674-0068/cjcp2109153", volume = "36", number = "1" } @article{https://resolver.caltech.edu/CaltechAUTHORS:20230201-520563200.1, title = "Behavior of Hydrogarnet‐Type Defects in Hydrous Stishovite at Various Temperatures and Pressures", journal = "Journal of Geophysical Research. Solid Earth", publisher = "American Geophysical Union", url = "https://resolver.caltech.edu/CaltechAUTHORS:20230201-520563200.1", id = "record", issn = "2169-9313", doi = "10.1029/2022jb024980", volume = "128", number = "2" } @article{https://resolver.caltech.edu/CaltechAUTHORS:20221222-210402258, title = "Efficient electrocatalytic valorization of chlorinated organic water pollutant to ethylene", journal = "Nature Nanotechnology", publisher = "Nature Publishing Group", url = "https://resolver.caltech.edu/CaltechAUTHORS:20221222-210402258", id = "record", issn = "1748-3395", doi = "10.1038/s41565-022-01277-z", volume = "18", number = "2" } @article{https://resolver.caltech.edu/CaltechAUTHORS:20230301-701033500.9, title = "The kinetics and potential dependence of the hydrogen evolution reaction optimized for the basal-plane Te vacancy site of MoTe₂", journal = "Chem Catalysis", publisher = "Cell Press", url = "https://resolver.caltech.edu/CaltechAUTHORS:20230301-701033500.9", id = "record", issn = "2667-1093", doi = "10.1016/j.checat.2022.100489", volume = "3", number = "1" } @article{https://resolver.caltech.edu/CaltechAUTHORS:20221209-478595000.6, title = "In Situ Deposited Polyaromatic Layer Generates Robust Copper Catalyst for Selective Electrochemical CO₂ Reduction at Variable pH", journal = "ACS Energy Letters", publisher = "American Chemical Society", url = "https://resolver.caltech.edu/CaltechAUTHORS:20221209-478595000.6", id = "record", issn = "2380-8195", doi = "10.1021/acsenergylett.2c02002", volume = "8", number = "1" } @article{https://resolver.caltech.edu/CaltechAUTHORS:20230123-451320900.13, title = "Fe Substitutions Improve Spectral Response of Bi₂WO₆-Based Photoanodes", journal = "ACS Applied Energy Materials", publisher = "American Chemical Society", url = "https://resolver.caltech.edu/CaltechAUTHORS:20230123-451320900.13", id = "record", issn = "2574-0962", doi = "10.1021/acsaem.2c02964", volume = "5", number = "12" } @article{https://resolver.caltech.edu/CaltechAUTHORS:20230125-514949300.25, title = "μ-Oxo Dimerization Effects on Ground- and Excited-State Properties of a Water-Soluble Iron Porphyrin CO₂ Reduction Catalyst", journal = "Inorganic Chemistry", publisher = "American Chemical Society", url = "https://resolver.caltech.edu/CaltechAUTHORS:20230125-514949300.25", id = "record", issn = "0020-1669", doi = "10.1021/acs.inorgchem.2c03215", volume = "61", number = "50" } @article{https://resolver.caltech.edu/CaltechAUTHORS:20221216-550380000.5, title = "Phosphine Modulation for Enhanced CO₂ Capture: Quantum Mechanics Predictions of New Materials", journal = "Journal of Physical Chemistry Letters", publisher = "American Chemical Society", url = "https://resolver.caltech.edu/CaltechAUTHORS:20221216-550380000.5", id = "record", issn = "1948-7185", doi = "10.1021/acs.jpclett.2c03145", volume = "13", number = "48" } @article{https://resolver.caltech.edu/CaltechAUTHORS:20221212-796684400.33, title = "Surveying Metal Antimonate Photoanodes for Solar Fuel Generation", journal = "ACS Sustainable Chemistry \& Engineering", publisher = "American Chemical Society", url = "https://resolver.caltech.edu/CaltechAUTHORS:20221212-796684400.33", id = "record", issn = "2168-0485", doi = "10.1021/acssuschemeng.2c05239", volume = "10", number = "48" } @article{https://resolver.caltech.edu/CaltechAUTHORS:20221011-984640000.3, title = "High-throughput screening to predict highly active dual-atom catalysts for electrocatalytic reduction of nitrate to ammonia", journal = "Nano Energy", publisher = "Elsevier", url = "https://resolver.caltech.edu/CaltechAUTHORS:20221011-984640000.3", id = "record", issn = "2211-2855", doi = "10.1016/j.nanoen.2022.107866", volume = "103", number = "Part B" } @article{https://resolver.caltech.edu/CaltechAUTHORS:20230221-18908700.35, title = "High-throughput screening to predict highly active dual-atom catalysts for electrocatalytic reduction of nitrate to ammonia", journal = "Nano Energy", publisher = "Elsevier", url = "https://resolver.caltech.edu/CaltechAUTHORS:20230221-18908700.35", id = "record", issn = "2211-2855", doi = "10.1016/j.nanoen.2022.107866", volume = "103", number = "Pt. B" } @article{https://resolver.caltech.edu/CaltechAUTHORS:20230118-50417000.1, title = "First-principles ultrafast exciton dynamics and time-domain spectroscopies: Dark-exciton mediated valley depolarization in monolayer WSe₂", journal = "Physical Review Research", publisher = "American Physical Society", url = "https://resolver.caltech.edu/CaltechAUTHORS:20230118-50417000.1", id = "record", issn = "2643-1564", doi = "10.1103/physrevresearch.4.043203", volume = "4", number = "4" } @other{https://resolver.caltech.edu/CaltechAUTHORS:20230324-7219000.2, title = "Beyond Tafel Analysis for Electrochemical CO₂ Reduction", url = "https://resolver.caltech.edu/CaltechAUTHORS:20230324-7219000.2", id = "record", doi = "10.26434/chemrxiv-2022-9rx0m" } @article{https://resolver.caltech.edu/CaltechAUTHORS:20221103-652750400.32, title = "Reaction mechanism and kinetics for N₂ reduction to ammonia on the Fe-Ru based dual-atom catalyst", journal = "Journal of Materials Chemistry A", publisher = "Royal Society of Chemistry", url = "https://resolver.caltech.edu/CaltechAUTHORS:20221103-652750400.32", id = "record", issn = "2050-7488", doi = "10.1039/d2ta06826e", volume = "10", number = "43" } @article{https://resolver.caltech.edu/CaltechAUTHORS:20221031-575730600.41, title = "Comparative Study on Electrochemical and Thermochemical Pathways for Carbonaceous Fuel Generation Using Sunlight and Air", journal = "ACS Sustainable Chemistry \& Engineering", publisher = "American Chemical Society", url = "https://resolver.caltech.edu/CaltechAUTHORS:20221031-575730600.41", id = "record", issn = "2168-0485", doi = "10.1021/acssuschemeng.2c03230", volume = "10", number = "42" } @article{https://resolver.caltech.edu/CaltechAUTHORS:20220727-38126000, title = "High throughput discovery of enhanced visible photoactivity in Fe–Cr vanadate solar fuels photoanodes", journal = "Journal of Physics: Energy", publisher = "IOP Publishing", url = "https://resolver.caltech.edu/CaltechAUTHORS:20220727-38126000", id = "record", issn = "2515-7655", doi = "10.1088/2515-7655/ac817e", volume = "4", number = "4" } @article{https://resolver.caltech.edu/CaltechAUTHORS:20221011-984569000.2, title = "Determining the hydronium pKα at platinum surfaces and the effect on pH-dependent hydrogen evolution reaction kinetics", journal = "Proceedings of the National Academy of Sciences of the United States of America", publisher = "National Academy of Sciences", url = "https://resolver.caltech.edu/CaltechAUTHORS:20221011-984569000.2", id = "record", issn = "0027-8424", doi = "10.1073/pnas.2208187119", volume = "119", number = "39", pmcid = "PMC9522355" } @other{https://resolver.caltech.edu/CaltechAUTHORS:20230324-7248000.5, title = "Understanding pH within a nanoscopic water pool", url = "https://resolver.caltech.edu/CaltechAUTHORS:20230324-7248000.5", id = "record", doi = "10.26434/chemrxiv-2022-bjdlh" } @article{https://resolver.caltech.edu/CaltechAUTHORS:20220811-457444000, title = "Highly Selective Electrocatalytic Oxidation of Amines to Nitriles Assisted by Water Oxidation on Metal-Doped α-Ni(OH)₂", journal = "Journal of the American Chemical Society", publisher = "American Chemical Society", url = "https://resolver.caltech.edu/CaltechAUTHORS:20220811-457444000", id = "record", issn = "0002-7863", doi = "10.1021/jacs.2c05403", volume = "144", number = "33" } @other{https://resolver.caltech.edu/CaltechAUTHORS:20220816-192448471, title = "Element-specific electronic and structural dynamics using transient X-ray spectroscopy", publisher = "arXiv", url = "https://resolver.caltech.edu/CaltechAUTHORS:20220816-192448471", id = "record", doi = "10.48550/arXiv.2106.04793" } @article{https://resolver.caltech.edu/CaltechAUTHORS:20220811-935557000, title = "Integrated Solar‐Driven Device with a Front Surface Semitransparent Catalysts for Unassisted CO₂ Reduction", journal = "Advanced Energy Materials", publisher = "Wiley", url = "https://resolver.caltech.edu/CaltechAUTHORS:20220811-935557000", id = "record", issn = "1614-6832", doi = "10.1002/aenm.202201062" } @article{https://resolver.caltech.edu/CaltechAUTHORS:20220608-849360000, title = "The 2022 solar fuels roadmap", journal = "Journal of Physics D: Applied Physics", publisher = "IOP", url = "https://resolver.caltech.edu/CaltechAUTHORS:20220608-849360000", id = "record", issn = "0022-3727", doi = "10.1088/1361-6463/ac6f97", volume = "55", number = "32" } @other{https://resolver.caltech.edu/CaltechAUTHORS:20220805-540001000, title = "Behavior of hydrogarnet-type defects in hydrous stishovite at various temperatures and pressures", url = "https://resolver.caltech.edu/CaltechAUTHORS:20220805-540001000", id = "record", doi = "10.1002/essoar.10512070.1" } @article{https://resolver.caltech.edu/CaltechAUTHORS:20220722-769329000, title = "Machine learning for design principles for single atom catalysts towards electrochemical reactions", journal = "Journal of Materials Chemistry A", publisher = "Royal Society of Chemistry", url = "https://resolver.caltech.edu/CaltechAUTHORS:20220722-769329000", id = "record", issn = "2050-7488", doi = "10.1039/d2ta02039d", volume = "10", number = "29" } @article{https://resolver.caltech.edu/CaltechAUTHORS:20220414-25692000, title = "Zinc Titanium Nitride Semiconductor toward Durable Photoelectrochemical Applications", journal = "Journal of the American Chemical Society", publisher = "American Chemical Society", url = "https://resolver.caltech.edu/CaltechAUTHORS:20220414-25692000", id = "record", issn = "0002-7863", doi = "10.1021/jacs.2c04241", volume = "144", number = "30", pmcid = "PMC9354241" } @article{https://resolver.caltech.edu/CaltechAUTHORS:20220712-372197000, title = "Ab Initio Prediction of Excited-State and Polaron Effects in Transient XUV Measurements of α-Fe₂O₃", journal = "Journal of the American Chemical Society", publisher = "American Chemical Society", url = "https://resolver.caltech.edu/CaltechAUTHORS:20220712-372197000", id = "record", issn = "0002-7863", doi = "10.1021/jacs.2c03994", volume = "144", number = "28" } @article{https://resolver.caltech.edu/CaltechAUTHORS:20220705-346693000, title = "Addressing solar photochemistry durability with an amorphous nickel antimonate photoanode", journal = "Cell Reports Physical Science", publisher = "Cell Press", url = "https://resolver.caltech.edu/CaltechAUTHORS:20220705-346693000", id = "record", issn = "2666-3864", doi = "10.1016/j.xcrp.2022.100959", volume = "3", number = "7" } @article{https://resolver.caltech.edu/CaltechAUTHORS:20220329-173615663, title = "Comparison of the canonical transformation and energy functional formalisms for ab initio calculations of self-localized polarons", journal = "Physical Review B", publisher = "American Physical Society", url = "https://resolver.caltech.edu/CaltechAUTHORS:20220329-173615663", id = "record", issn = "2469-9950", doi = "10.1103/PhysRevB.105.155132", volume = "105", number = "15" } @article{https://resolver.caltech.edu/CaltechAUTHORS:20220406-727178868, title = "Materials structure–property factorization for identification of synergistic phase interactions in complex solar fuels photoanodes", journal = "npj Computational Materials", publisher = "Springer Science and Business Media LLC", url = "https://resolver.caltech.edu/CaltechAUTHORS:20220406-727178868", id = "record", issn = "2057-3960", doi = "10.1038/s41524-022-00747-1", volume = "8" } @article{https://resolver.caltech.edu/CaltechAUTHORS:20211015-162629818, title = "Enabling Modular Autonomous Feedback-Loops in Materials Science through Hierarchical Experimental Laboratory Automation and Orchestration", journal = "Advanced Materials Interfaces", publisher = "Wiley", url = "https://resolver.caltech.edu/CaltechAUTHORS:20211015-162629818", id = "record", issn = "2196-7350", doi = "10.1002/admi.202101987", volume = "9", number = "8" } @article{https://resolver.caltech.edu/CaltechAUTHORS:20220301-900116000, title = "Molecular Coatings Improve the Selectivity and Durability of CO₂ Reduction Chalcogenide Photocathodes", journal = "ACS Energy Letters", publisher = "American Chemical Society", url = "https://resolver.caltech.edu/CaltechAUTHORS:20220301-900116000", id = "record", issn = "2380-8195", doi = "10.1021/acsenergylett.1c02762", volume = "7", number = "3" } @article{https://resolver.caltech.edu/CaltechAUTHORS:20220216-289231016, title = "Experimental and Theoretical Comparison of Potential-dependent Methylation on Chemically Exfoliated WS₂ and MoS₂", journal = "ACS Applied Materials \& Interfaces", publisher = "American Chemical Society", url = "https://resolver.caltech.edu/CaltechAUTHORS:20220216-289231016", id = "record", issn = "1944-8244", doi = "10.1021/acsami.1c20949", volume = "14", number = "7" } @article{https://resolver.caltech.edu/CaltechAUTHORS:20220202-544247000, title = "Probing the Catalytically Active Region in a Nanoporous Gold Gas Diffusion Electrode for Highly Selective Carbon Dioxide Reduction", journal = "ACS Energy Letters", publisher = "American Chemical Society", url = "https://resolver.caltech.edu/CaltechAUTHORS:20220202-544247000", id = "record", issn = "2380-8195", doi = "10.1021/acsenergylett.1c02267", volume = "7", number = "2" } @article{https://resolver.caltech.edu/CaltechAUTHORS:20220124-215443000, title = "Overcoming Hurdles in Oxygen Evolution Catalyst Discovery via Codesign", journal = "Chemistry of Materials", publisher = "American Chemical Society", url = "https://resolver.caltech.edu/CaltechAUTHORS:20220124-215443000", id = "record", issn = "0897-4756", doi = "10.1021/acs.chemmater.1c04120", volume = "34", number = "3" } @article{https://resolver.caltech.edu/CaltechAUTHORS:20220117-233617954, title = "Au-activated N motifs in non-coherent cupric porphyrin metal organic frameworks for promoting and stabilizing ethylene production", journal = "Nature Communications", publisher = "SpringerNature", url = "https://resolver.caltech.edu/CaltechAUTHORS:20220117-233617954", id = "record", issn = "2041-1723", doi = "10.1038/s41467-021-27768-6", volume = "13", pmcid = "PMC8763919" } @article{https://resolver.caltech.edu/CaltechAUTHORS:20211208-560288000, title = "First-Principles Molecular Dynamics in Metal-Halide Perovskites: Contrasting Generalized Gradient Approximation and Hybrid Functionals", journal = "Journal of Physical Chemistry Letters", publisher = "American Chemical Society", url = "https://resolver.caltech.edu/CaltechAUTHORS:20211208-560288000", id = "record", issn = "1948-7185", doi = "10.1021/acs.jpclett.1c03428", volume = "12", number = "49" } @article{https://resolver.caltech.edu/CaltechAUTHORS:20211115-181201722, title = "Reaction Mechanism and Strategy for Optimizing the Hydrogen Evolution Reaction on Single-Layer 1T′ WSe₂ and WTe₂ Based on Grand Canonical Potential Kinetics", journal = "ACS Applied Materials \& Interfaces", publisher = "American Chemical Society", url = "https://resolver.caltech.edu/CaltechAUTHORS:20211115-181201722", id = "record", issn = "1944-8252", doi = "10.1021/acsami.1c14234", volume = "13", number = "46" } @article{https://resolver.caltech.edu/CaltechAUTHORS:20211122-153022306, title = "Coupling electrochemical CO₂ conversion with CO₂ capture", journal = "Nature Catalysis", publisher = "Nature Publishing Group", url = "https://resolver.caltech.edu/CaltechAUTHORS:20211122-153022306", id = "record", issn = "2520-1158", doi = "10.1038/s41929-021-00699-7", volume = "4", number = "11" } @article{https://resolver.caltech.edu/CaltechAUTHORS:20210610-080047277, title = "Breaking Scaling Relationships in CO₂ Reduction on Copper Alloys with Organic Additives", journal = "ACS Central Science", publisher = "American Chemical Society", url = "https://resolver.caltech.edu/CaltechAUTHORS:20210610-080047277", id = "record", issn = "2374-7951", doi = "10.1021/acscentsci.1c00860", volume = "7", number = "10", pmcid = "PMC8554824" } @article{https://resolver.caltech.edu/CaltechAUTHORS:20211015-191354505, title = "Structure, Energetics, and Spectra for the Oxygen Vacancy in Rutile: Prominence of the Ti–Hₒ–Ti Bond", journal = "Journal of Physical Chemistry Letters", publisher = "American Chemical Society", url = "https://resolver.caltech.edu/CaltechAUTHORS:20211015-191354505", id = "record", issn = "1948-7185", doi = "10.1021/acs.jpclett.1c02850", volume = "12", number = "41" } @article{https://resolver.caltech.edu/CaltechAUTHORS:20210917-215618128, title = "Dramatic Change in the Step Edges of the Cu(100) Electrocatalyst upon Exposure to CO: Operando Observations by Electrochemical STM and Explanation Using Quantum Mechanical Calculations", journal = "ACS Catalysis", publisher = "American Chemical Society", url = "https://resolver.caltech.edu/CaltechAUTHORS:20210917-215618128", id = "record", issn = "2155-5435", doi = "10.1021/acscatal.1c02844", volume = "11", number = "19" } @article{https://resolver.caltech.edu/CaltechAUTHORS:20210608-130600287, title = "Sulfur-doped graphene anchoring of ultrafine Au₂₅ nanoclusters for electrocatalysis", journal = "Nano Research", publisher = "Springer", url = "https://resolver.caltech.edu/CaltechAUTHORS:20210608-130600287", id = "record", issn = "1998-0124", doi = "10.1007/s12274-021-3561-2", volume = "14", number = "10" } @article{https://resolver.caltech.edu/CaltechAUTHORS:20210917-215610705, title = "Operando Local pH Measurement within Gas Diffusion Electrodes Performing Electrochemical Carbon Dioxide Reduction", journal = "Journal of Physical Chemistry C", publisher = "American Chemical Society", url = "https://resolver.caltech.edu/CaltechAUTHORS:20210917-215610705", id = "record", issn = "1932-7447", doi = "10.1021/acs.jpcc.1c06265", volume = "125", number = "38" } @article{https://resolver.caltech.edu/CaltechAUTHORS:20210917-215611668, title = "Band Edge Energy Tuning through Electronic Character Hybridization in Ternary Metal Vanadates", journal = "Chemistry of Materials", publisher = "American Chemical Society", url = "https://resolver.caltech.edu/CaltechAUTHORS:20210917-215611668", id = "record", issn = "0897-4756", doi = "10.1021/acs.chemmater.1c01415", volume = "33", number = "18" } @article{https://resolver.caltech.edu/CaltechAUTHORS:20210830-230028535, title = "Hydrogen from Sunlight and Water: A Side-by-Side Comparison between Photoelectrochemical and Solar Thermochemical Water-Splitting", journal = "ACS Energy Letters", publisher = "American Chemical Society", url = "https://resolver.caltech.edu/CaltechAUTHORS:20210830-230028535", id = "record", issn = "2380-8195", doi = "10.1021/acsenergylett.1c00758", volume = "6", number = "9" } @article{https://resolver.caltech.edu/CaltechAUTHORS:20210907-203710677, title = "Ab initio electron dynamics in high electric fields: Accurate prediction of velocity-field curves", journal = "Physical Review B", publisher = "American Physical Society", url = "https://resolver.caltech.edu/CaltechAUTHORS:20210907-203710677", id = "record", issn = "2469-9950", doi = "10.1103/PhysRevB.104.L100303", volume = "104", number = "10" } @article{https://resolver.caltech.edu/CaltechAUTHORS:20210917-144224516, title = "Automating crystal-structure phase mapping by combining deep learning with constraint reasoning", journal = "Nature Machine Intelligence", publisher = "Nature Publishing Group", url = "https://resolver.caltech.edu/CaltechAUTHORS:20210917-144224516", id = "record", issn = "2522-5839", doi = "10.1038/s42256-021-00384-1", volume = "3", number = "9" }