Items where Research Group Name is "Liquid Sunlight Alliance"

Palfey, William R. and Rossman, George R. and Goddard, William A., III (2023) Behavior of Hydrogarnet‐Type Defects in Hydrous Stishovite at Various Temperatures and Pressures. Journal of Geophysical Research. Solid Earth, 128 (2). Art. No. e2022JB024980. ISSN 2169-9313. doi:10.1029/2022jb024980. https://resolver.caltech.edu/CaltechAUTHORS:20230201-520563200.1

Watkins, Nicholas B. and Wu, Yueshen and Nie, Weixuan et al. (2023) In Situ Deposited Polyaromatic Layer Generates Robust Copper Catalyst for Selective Electrochemical CO₂ Reduction at Variable pH. ACS Energy Letters, 8 (1). pp. 189-195. ISSN 2380-8195. doi:10.1021/acsenergylett.2c02002. https://resolver.caltech.edu/CaltechAUTHORS:20221209-478595000.6

Zhou, Lan and Peterson, Elizabeth A. and Richter, Matthias H. et al. (2022) Fe Substitutions Improve Spectral Response of Bi₂WO₆-Based Photoanodes. ACS Applied Energy Materials, 5 (12). pp. 15333-15344. ISSN 2574-0962. doi:10.1021/acsaem.2c02964. https://resolver.caltech.edu/CaltechAUTHORS:20230123-451320900.13

Choi, Chungseok and Wang, Xiaoxiao and Kwon, Soonho et al. (2022) Efficient electrocatalytic valorization of chlorinated organic water pollutant to ethylene. Nature Nanotechnology . ISSN 1748-3395. doi:10.1038/s41565-022-01277-z. (In Press) https://resolver.caltech.edu/CaltechAUTHORS:20221222-210402258

Follmer, Alec H. and Luedecke, Kaitlin M. and Hadt, Ryan G. (2022) μ-Oxo Dimerization Effects on Ground- and Excited-State Properties of a Water-Soluble Iron Porphyrin CO₂ Reduction Catalyst. Inorganic Chemistry, 61 (50). pp. 20493-20500. ISSN 0020-1669. doi:10.1021/acs.inorgchem.2c03215. https://resolver.caltech.edu/CaltechAUTHORS:20230125-514949300.25

Musgrave, Charles B., III and Prokofjevs, Aleksandrs and Goddard III, William A. (2022) Phosphine Modulation for Enhanced CO₂ Capture: Quantum Mechanics Predictions of New Materials. Journal of Physical Chemistry Letters, 13 (48). pp. 11183-11190. ISSN 1948-7185. doi:10.1021/acs.jpclett.2c03145. https://resolver.caltech.edu/CaltechAUTHORS:20221216-550380000.5

Zhou, Lan and Wang, Yu and Kan, Kevin et al. (2022) Surveying Metal Antimonate Photoanodes for Solar Fuel Generation. ACS Sustainable Chemistry & Engineering, 10 (48). pp. 15898-15908. ISSN 2168-0485. doi:10.1021/acssuschemeng.2c05239. https://resolver.caltech.edu/CaltechAUTHORS:20221212-796684400.33

Rehman, Faisal and Kwon, Soonho and Musgrave, Charles B., III et al. (2022) High-throughput screening to predict highly active dual-atom catalysts for electrocatalytic reduction of nitrate to ammonia. Nano Energy, 103 (Part B). Art. No. 107866. ISSN 2211-2855. doi:10.1016/j.nanoen.2022.107866. https://resolver.caltech.edu/CaltechAUTHORS:20221011-984640000.3

Chen, Hsiao-Yi and Sangalli, Davide and Bernardi, Marco (2022) First-principles ultrafast exciton dynamics and time-domain spectroscopies: Dark-exciton mediated valley depolarization in monolayer WSe₂. Physical Review Research, 4 (4). Art. No. 043203. ISSN 2643-1564. doi:10.1103/physrevresearch.4.043203. https://resolver.caltech.edu/CaltechAUTHORS:20230118-50417000.1

Rehman, Faisal and Kwon, Soonho and Hossain, Md Delowar et al. (2022) Reaction mechanism and kinetics for N₂ reduction to ammonia on the Fe-Ru based dual-atom catalyst. Journal of Materials Chemistry A, 10 (43). pp. 23323-23331. ISSN 2050-7488. doi:10.1039/d2ta06826e. https://resolver.caltech.edu/CaltechAUTHORS:20221103-652750400.32

Xu, Da and Sullivan, Ian and Xiang, Chengxiang et al. (2022) Comparative Study on Electrochemical and Thermochemical Pathways for Carbonaceous Fuel Generation Using Sunlight and Air. ACS Sustainable Chemistry & Engineering, 10 (42). pp. 13945-13954. ISSN 2168-0485. doi:10.1021/acssuschemeng.2c03230. https://resolver.caltech.edu/CaltechAUTHORS:20221031-575730600.41

Zhou, Lan and Guevarra, Dan and Gregoire, John M. (2022) High throughput discovery of enhanced visible photoactivity in Fe–Cr vanadate solar fuels photoanodes. Journal of Physics: Energy, 4 (4). Art. No. 044001. ISSN 2515-7655. doi:10.1088/2515-7655/ac817e. https://resolver.caltech.edu/CaltechAUTHORS:20220727-38126000

Zhong, Guangyan and Cheng, Tao and Shah, Aamir Hassan et al. (2022) Determining the hydronium pKα at platinum surfaces and the effect on pH-dependent hydrogen evolution reaction kinetics. Proceedings of the National Academy of Sciences of the United States of America, 119 (39). Art. No. e2208187119. ISSN 0027-8424. doi:10.1073/pnas.2208187119. https://resolver.caltech.edu/CaltechAUTHORS:20221011-984569000.2

Sun, Yuxia and Shin, Hyeyoung and Wang, Fangyuan et al. (2022) Highly Selective Electrocatalytic Oxidation of Amines to Nitriles Assisted by Water Oxidation on Metal-Doped α-Ni(OH)₂. Journal of the American Chemical Society, 144 (33). pp. 15185-15192. ISSN 0002-7863. doi:10.1021/jacs.2c05403. https://resolver.caltech.edu/CaltechAUTHORS:20220811-457444000

Segev, Gideon and Kibsgaard, Jakob and Hahn, Christopher et al. (2022) The 2022 solar fuels roadmap. Journal of Physics D: Applied Physics, 55 (32). Art. No. 323003. ISSN 0022-3727. doi:10.1088/1361-6463/ac6f97. https://resolver.caltech.edu/CaltechAUTHORS:20220608-849360000

Cheng, Wen-Hui and Richter, Matthias H. and Müller, Ralph et al. (2022) Integrated Solar‐Driven Device with a Front Surface Semitransparent Catalysts for Unassisted CO₂ Reduction. Advanced Energy Materials . Art. No. 2201062. ISSN 1614-6832. doi:10.1002/aenm.202201062. (In Press) https://resolver.caltech.edu/CaltechAUTHORS:20220811-935557000

Tamtaji, Mohsen and Gao, Hanyu and Hossain, Md Delowar et al. (2022) Machine learning for design principles for single atom catalysts towards electrochemical reactions. Journal of Materials Chemistry A, 10 (29). pp. 15309-15331. ISSN 2050-7488. doi:10.1039/d2ta02039d. https://resolver.caltech.edu/CaltechAUTHORS:20220722-769329000

Palfey, William R. and Rossman, George R. and Goddard III, William A. (2022) Behavior of hydrogarnet-type defects in hydrous stishovite at various temperatures and pressures. . doi:10.1002/essoar.10512070.1. (Unpublished) https://resolver.caltech.edu/CaltechAUTHORS:20220805-540001000

Greenaway, Ann L. and Ke, Sijia and Culman, Theodore et al. (2022) Zinc Titanium Nitride Semiconductor toward Durable Photoelectrochemical Applications. Journal of the American Chemical Society, 144 (30). pp. 13673-13687. ISSN 0002-7863. PMCID PMC9354241. doi:10.1021/jacs.2c04241. https://resolver.caltech.edu/CaltechAUTHORS:20220414-25692000

Klein, Isabel M. and Liu, Hanzhe and Nimlos, Danika et al. (2022) Ab Initio Prediction of Excited-State and Polaron Effects in Transient XUV Measurements of α-Fe₂O₃. Journal of the American Chemical Society, 144 (28). pp. 12834-12841. ISSN 0002-7863. doi:10.1021/jacs.2c03994. https://resolver.caltech.edu/CaltechAUTHORS:20220712-372197000

Zhou, Lan and Peterson, Elizabeth A. and Rao, Karun K. et al. (2022) Addressing solar photochemistry durability with an amorphous nickel antimonate photoanode. Cell Reports Physical Science, 3 (7). Art. No. 100959. ISSN 2666-3864. doi:10.1016/j.xcrp.2022.100959. https://resolver.caltech.edu/CaltechAUTHORS:20220705-346693000

Luo, Yao and Chang, Benjamin K. and Bernardi, Marco (2022) Comparison of the canonical transformation and energy functional formalisms for ab initio calculations of self-localized polarons. Physical Review B, 105 (15). Art. No. 155132. ISSN 2469-9950. doi:10.1103/PhysRevB.105.155132. https://resolver.caltech.edu/CaltechAUTHORS:20220329-173615663

Rahmanian, Fuzhan and Flowers, Jackson and Guevarra, Dan et al. (2022) Enabling Modular Autonomous Feedback-Loops in Materials Science through Hierarchical Experimental Laboratory Automation and Orchestration. Advanced Materials Interfaces, 9 (8). Art. No. 2101987. ISSN 2196-7350. doi:10.1002/admi.202101987. https://resolver.caltech.edu/CaltechAUTHORS:20211015-162629818

Lai, Yungchieh and Watkins, Nicholas B. and Muzzillo, Christopher et al. (2022) Molecular Coatings Improve the Selectivity and Durability of CO₂ Reduction Chalcogenide Photocathodes. ACS Energy Letters, 7 (3). pp. 1195-1201. ISSN 2380-8195. doi:10.1021/acsenergylett.1c02762. https://resolver.caltech.edu/CaltechAUTHORS:20220301-900116000

Fenwick, Aidan Q. and Welch, Alex J. and Li, Xueqian et al. (2022) Probing the Catalytically Active Region in a Nanoporous Gold Gas Diffusion Electrode for Highly Selective Carbon Dioxide Reduction. ACS Energy Letters, 7 (2). pp. 871-879. ISSN 2380-8195. doi:10.1021/acsenergylett.1c02267. https://resolver.caltech.edu/CaltechAUTHORS:20220202-544247000

Rao, Karun K. and Lai, Yungchieh and Zhou, Lan et al. (2022) Overcoming Hurdles in Oxygen Evolution Catalyst Discovery via Codesign. Chemistry of Materials, 34 (3). pp. 899-910. ISSN 0897-4756. doi:10.1021/acs.chemmater.1c04120. https://resolver.caltech.edu/CaltechAUTHORS:20220124-215443000

Xie, Xulan and Zhang, Xiang and Xie, Miao et al. (2022) Au-activated N motifs in non-coherent cupric porphyrin metal organic frameworks for promoting and stabilizing ethylene production. Nature Communications, 13 . Art. No. 63. ISSN 2041-1723. PMCID PMC8763919. doi:10.1038/s41467-021-27768-6. https://resolver.caltech.edu/CaltechAUTHORS:20220117-233617954

Kaiser, Waldemar and Carignano, Marcelo and Alothman, Asma A. et al. (2021) First-Principles Molecular Dynamics in Metal-Halide Perovskites: Contrasting Generalized Gradient Approximation and Hybrid Functionals. Journal of Physical Chemistry Letters, 12 (49). pp. 11886-11893. ISSN 1948-7185. doi:10.1021/acs.jpclett.1c03428. https://resolver.caltech.edu/CaltechAUTHORS:20211208-560288000

Song, Jie and Kwon, Soonho and Hossain, Md Delowar et al. (2021) Reaction Mechanism and Strategy for Optimizing the Hydrogen Evolution Reaction on Single-Layer 1T′ WSe₂ and WTe₂ Based on Grand Canonical Potential Kinetics. ACS Applied Materials & Interfaces, 13 (46). pp. 55611-55620. ISSN 1944-8252. doi:10.1021/acsami.1c14234. https://resolver.caltech.edu/CaltechAUTHORS:20211115-181201722

Sullivan, Ian and Goryachev, Andrey and Digdaya, Ibadillah A. et al. (2021) Coupling electrochemical CO₂ conversion with CO₂ capture. Nature Catalysis, 4 (11). pp. 952-958. ISSN 2520-1158. doi:10.1038/s41929-021-00699-7. https://resolver.caltech.edu/CaltechAUTHORS:20211122-153022306

Lai, Yunchieh and Watkins, Nicholas B. and Rosas-Hernández, Alonso et al. (2021) Breaking Scaling Relationships in CO₂ Reduction on Copper Alloys with Organic Additives. ACS Central Science, 7 (10). pp. 1756-1762. ISSN 2374-7951. PMCID PMC8554824. doi:10.1021/acscentsci.1c00860. https://resolver.caltech.edu/CaltechAUTHORS:20210610-080047277

Palfey, William R. and Rossman, George R. and Goddard, William A., III (2021) Structure, Energetics, and Spectra for the Oxygen Vacancy in Rutile: Prominence of the Ti–Hₒ–Ti Bond. Journal of Physical Chemistry Letters, 12 (41). pp. 10175-10181. ISSN 1948-7185. doi:10.1021/acs.jpclett.1c02850. https://resolver.caltech.edu/CaltechAUTHORS:20211015-191354505

Kwon, Soonho and Kim, Youn-Geun and Baricuatro, Jack H. et al. (2021) 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. ACS Catalysis, 11 (19). pp. 12068-12074. ISSN 2155-5435. doi:10.1021/acscatal.1c02844. https://resolver.caltech.edu/CaltechAUTHORS:20210917-215618128

Li, Mufan and Zhang, Bei and Cheng, Tao et al. (2021) Sulfur-doped graphene anchoring of ultrafine Au₂₅ nanoclusters for electrocatalysis. Nano Research, 14 (10). pp. 3509-3513. ISSN 1998-0124. doi:10.1007/s12274-021-3561-2. https://resolver.caltech.edu/CaltechAUTHORS:20210608-130600287

Welch, Alex J. and Fenwick, Aidan Q. and Böhme, Annette et al. (2021) Operando Local pH Measurement within Gas Diffusion Electrodes Performing Electrochemical Carbon Dioxide Reduction. Journal of Physical Chemistry C, 125 (38). pp. 20896-20904. ISSN 1932-7447. doi:10.1021/acs.jpcc.1c06265. https://resolver.caltech.edu/CaltechAUTHORS:20210917-215610705

Richter, Matthias H. and Peterson, Elizabeth A. and Zhou, Lan et al. (2021) Band Edge Energy Tuning through Electronic Character Hybridization in Ternary Metal Vanadates. Chemistry of Materials, 33 (18). pp. 7242-7253. ISSN 0897-4756. doi:10.1021/acs.chemmater.1c01415. https://resolver.caltech.edu/CaltechAUTHORS:20210917-215611668

Cheng, Wen-Hui and de la Calle, Alberto and Atwater, Harry A. et al. (2021) Hydrogen from Sunlight and Water: A Side-by-Side Comparison between Photoelectrochemical and Solar Thermochemical Water-Splitting. ACS Energy Letters, 6 (9). pp. 3096-3113. ISSN 2380-8195. doi:10.1021/acsenergylett.1c00758. https://resolver.caltech.edu/CaltechAUTHORS:20210830-230028535

Maliyov, Ivan and Park, Jinsoo and Bernardi, Marco (2021) Ab initio electron dynamics in high electric fields: Accurate prediction of velocity-field curves. Physical Review B, 104 (10). Art. No. L100303. ISSN 2469-9950. doi:10.1103/PhysRevB.104.L100303. https://resolver.caltech.edu/CaltechAUTHORS:20210907-203710677

Chen, Di and Bai, Yiwei and Ament, Sebastian et al. (2021) Automating crystal-structure phase mapping by combining deep learning with constraint reasoning. Nature Machine Intelligence, 3 (9). pp. 812-822. ISSN 2522-5839. doi:10.1038/s42256-021-00384-1. https://resolver.caltech.edu/CaltechAUTHORS:20210917-144224516

Liu, Hanzhe and Klein, Isabel M. and Michelsen, Jonathan M. et al. (2021) Element-specific electronic and structural dynamics using transient X-ray spectroscopy. . (Unpublished) https://resolver.caltech.edu/CaltechAUTHORS:20220816-192448471

Guevarra, Dan and Zhou, Lan and Richter, Matthias H. et al. (2022) Materials structure–property factorization for identification of synergistic phase interactions in complex solar fuels photoanodes. npj Computational Materials, 8 . Art. No. 57. ISSN 2057-3960. doi:10.1038/s41524-022-00747-1. https://resolver.caltech.edu/CaltechAUTHORS:20220406-727178868

Yan, Ellen and Balgley, Renata and Morla, Maureen B. et al. (2022) Experimental and Theoretical Comparison of Potential-dependent Methylation on Chemically Exfoliated WS₂ and MoS₂. ACS Applied Materials & Interfaces, 14 (7). pp. 9744-9753. ISSN 1944-8244. doi:10.1021/acsami.1c20949. https://resolver.caltech.edu/CaltechAUTHORS:20220216-289231016