Number of items: 31.
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
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
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
.
ISSN 0002-7863.
doi:10.1021/jacs.2c05403.
(In Press)
https://resolver.caltech.edu/CaltechAUTHORS:20220811-457444000
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(Unpublished)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:20220721-7698000
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
Greenaway, Ann L.
and
Ke, Sijia
and
Culman, Theodore
et al.
(2022)
Co-design of zinc titanium nitride semiconductor towards durable photoelectrochemical applications.
.
doi:10.26434/chemrxiv-2022-chbvt-v2.
(Unpublished)
https://resolver.caltech.edu/CaltechAUTHORS:20220414-25692000
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
This list was generated on Wed Aug 17 00:33:26 2022 UTC.