Hao Li - Publications

2015-1019 Chemistry University of Texas at Austin, Austin, Texas, U.S.A. 

30 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2024 Troutman JP, Mantha JSP, Li H, Henkelman G, Humphrey SM, Werth CJ. Tuning the Selectivity of Nitrate Reduction via Fine Composition Control of RuPdNP Catalysts. Small (Weinheim An Der Bergstrasse, Germany). e2308593. PMID 38326100 DOI: 10.1002/smll.202308593  0.536
2021 Zheng H, Li H, Luo L, Zhao Z, Henkelman G. Factors that influence hydrogen binding at metal-atop sites. The Journal of Chemical Physics. 155: 024703. PMID 34266273 DOI: 10.1063/5.0056774  0.479
2021 Liu C, Li H, Chen J, Yu Z, Ru Q, Li S, Henkelman G, Wei L, Chen Y. 3d Transition-Metal-Mediated Columbite Nanocatalysts for Decentralized Electrosynthesis of Hydrogen Peroxide. Small (Weinheim An Der Bergstrasse, Germany). e2007249. PMID 33690976 DOI: 10.1002/smll.202007249  0.493
2021 Chen Q, Li H, Meyerson ML, Rodriguez R, Kawashima K, Weeks JA, Sun H, Xie Q, Lin J, Henkelman G, Heller A, Peng DL, Mullins CB. Li-Zn Overlayer to Facilitate Uniform Lithium Deposition for Lithium Metal Batteries. Acs Applied Materials & Interfaces. PMID 33591714 DOI: 10.1021/acsami.0c21195  0.474
2021 Cao Z, Li H, Lowry GV, Shi X, Pan X, Xu X, Henkelman G, Xu J. Unveiling the Role of Sulfur in Rapid Defluorination of Florfenicol by Sulfidized Nanoscale Zero-Valent Iron in Water under Ambient Conditions. Environmental Science & Technology. PMID 33529528 DOI: 10.1021/acs.est.0c07319  0.485
2021 Liu C, Liu F, Li H, Chen J, Fei J, Yu Z, Yuan Z, Wang C, Zheng H, Liu Z, Xu M, Henkelman G, Wei L, Chen Y. One-Dimensional van der Waals Heterostructures as Efficient Metal-Free Oxygen Electrocatalysts. Acs Nano. PMID 33491450 DOI: 10.1021/acsnano.0c10242  0.495
2020 Liu C, Li H, Liu F, Chen J, Yu Z, Yuan Z, Wang C, Zheng H, Henkelman G, Wei L, Chen Y. Intrinsic Activity of Metal Centers in Metal-Nitrogen-Carbon Single-Atom Catalysts for Hydrogen Peroxide Synthesis. Journal of the American Chemical Society. PMID 33332110 DOI: 10.1021/jacs.0c10636  0.504
2020 Huang ZH, Li H, Li WH, Henkelman G, Jia B, Ma T. Electrical and Structural Dual Function of Oxygen Vacancies for Promoting Electrochemical Capacitance in Tungsten Oxide. Small (Weinheim An Der Bergstrasse, Germany). e2004709. PMID 33289327 DOI: 10.1002/smll.202004709  0.435
2020 Xu J, Avellan A, Li H, Clark E, Henkelman G, Kaegi R, Lowry GV. Iron and Sulfur Precursors Affect Crystalline Structure, Speciation, and Reactivity of Sulfidized Nanoscale Zerovalent Iron. Environmental Science & Technology. PMID 32966049 DOI: 10.1021/acs.est.0c03879  0.423
2020 Zeng Y, Li H, Xia Y, Wang L, Yin K, Wei Y, Liu X, Luo S. Co3O4 Nanocrystals with Oxygen Vacancy-Rich and Highly Reactive (222) Facet on Carbon Nitride Scaffolds for Efficient Photocatalytic Oxygen Evolution. Acs Applied Materials & Interfaces. PMID 32921050 DOI: 10.1021/Acsami.0C09761  0.317
2020 Li L, Li H, Seymour ID, Koziol L, Henkelman G. Pair-distribution-function guided optimization of fingerprints for atom-centered neural network potentials. The Journal of Chemical Physics. 152: 224102. PMID 32534535 DOI: 10.1063/5.0007391  0.685
2020 Xu J, Avellan A, Li H, Liu X, Noël V, Lou Z, Wang Y, Kaegi R, Henkelman G, Lowry GV. Sulfur Loading and Speciation Control the Hydrophobicity, Electron Transfer, Reactivity, and Selectivity of Sulfidized Nanoscale Zerovalent Iron. Advanced Materials (Deerfield Beach, Fla.). e1906910. PMID 32162726 DOI: 10.1002/Adma.201906910  0.461
2019 Guo H, Fang Z, Li H, Fernandez D, Henkelman G, Humphrey SM, Yu G. Rational Design of Rhodium-Iridium Alloy Nanoparticles as Highly Active Catalysts for Acidic Oxygen Evolution. Acs Nano. PMID 31668069 DOI: 10.1021/Acsnano.9B06244  0.589
2019 Zhou Z, Yuan Z, Li S, Li H, Chen J, Wang Y, Huang Q, Wang C, Karahan HE, Henkelman G, Liao X, Wei L, Chen Y. Big to Small: Ultrafine Mo C Particles Derived from Giant Polyoxomolybdate Clusters for Hydrogen Evolution Reaction. Small (Weinheim An Der Bergstrasse, Germany). e1900358. PMID 30735307 DOI: 10.1002/Smll.201900358  0.55
2019 Li H, Chai W, Henkelman G. Selectivity for ethanol partial oxidation: the unique chemistry of single-atom alloy catalysts on Au, Ag, and Cu(111) Journal of Materials Chemistry. 7: 23868-23877. DOI: 10.1039/C9Ta04572D  0.71
2019 Li H, Guo S, Shin K, Wong MS, Henkelman G. Design of a Pd–Au Nitrite Reduction Catalyst by Identifying and Optimizing Active Ensembles Acs Catalysis. 9: 7957-7966. DOI: 10.1021/Acscatal.9B02182  0.603
2019 Evans EJ, Li H, Han S, Henkelman G, Mullins CB. Oxidative Cross-Esterification and Related Pathways of Co-Adsorbed Oxygen and Ethanol on Pd–Au Acs Catalysis. 9: 4516-4525. DOI: 10.1021/Acscatal.8B04820  0.542
2019 Guo H, Li H, Fernandez D, Willis S, Jarvis K, Henkelman G, Humphrey SM. Stabilizer-Free CuIr Alloy Nanoparticle Catalysts† Chemistry of Materials. 31: 10225-10235. DOI: 10.1021/Acs.Chemmater.9B04138  0.575
2018 Li H, Shin K, Henkelman G. Effects of ensembles, ligand, and strain on adsorbate binding to alloy surfaces. The Journal of Chemical Physics. 149: 174705. PMID 30408989 DOI: 10.1063/1.5053894  0.577
2018 Liu Y, Li H, Cen W, Li J, Wang Z, Henkelman G. A computational study of supported Cu-based bimetallic nanoclusters for CO oxidation. Physical Chemistry Chemical Physics : Pccp. PMID 29488520 DOI: 10.1039/C7Cp08578H  0.561
2018 Guo H, Li H, Jarvis K, Wan H, Kunal P, Dunning SG, Liu Y, Henkelman G, Humphrey SM. Microwave-Assisted Synthesis of Classically Immiscible Ag–Ir Alloy Nanoparticle Catalysts Acs Catalysis. 8: 11386-11397. DOI: 10.1021/Acscatal.8B02103  0.602
2018 Li H, Evans EJ, Mullins CB, Henkelman G. Ethanol Decomposition on Pd–Au Alloy Catalysts The Journal of Physical Chemistry C. 122: 22024-22032. DOI: 10.1021/Acs.Jpcc.8B08150  0.584
2018 Li H, Luo L, Kunal P, Bonifacio CS, Duan Z, Yang JC, Humphrey SM, Crooks RM, Henkelman G. Oxygen Reduction Reaction on Classically Immiscible Bimetallics: A Case Study of RhAu The Journal of Physical Chemistry C. 122: 2712-2716. DOI: 10.1021/Acs.Jpcc.7B10974  0.597
2018 Piburn GW, Li H, Kunal P, Henkelman G, Humphrey SM. Rapid Synthesis of Rhodium–Palladium Alloy Nanocatalysts Chemcatchem. 10: 329-333. DOI: 10.1002/Cctc.201701133  0.587
2017 Evans EJ, Li H, Yu WY, Mullen GM, Henkelman G, Mullins CB. Mechanistic insights on ethanol dehydrogenation on Pd-Au model catalysts: a combined experimental and DFT study. Physical Chemistry Chemical Physics : Pccp. PMID 29115318 DOI: 10.1039/C7Cp05097F  0.555
2017 Luo L, Duan Z, Li H, Kim J, Henkelman G, Crooks RM. Tunability of the Adsorbate Binding on Bimetallic Alloy Nanoparticles for the Optimization of Catalytic Hydrogenation. Journal of the American Chemical Society. PMID 28387511 DOI: 10.1021/Jacs.7B01653  0.588
2017 Seraj S, Kunal P, Li H, Henkelman G, Humphrey SM, Werth CJ. PdAu Alloy Nanoparticle Catalysts: Effective Candidates for Nitrite Reduction in Water Acs Catalysis. 7: 3268-3276. DOI: 10.1021/Acscatal.6B03647  0.617
2017 Li H, Henkelman GA. Dehydrogenation Selectivity of Ethanol on Close-Packed Transition Metal Surfaces: A Computational Study of Monometallic, Pd/Au, and Rh/Au Catalysts Journal of Physical Chemistry C. 121: 27504-27510. DOI: 10.1021/Acs.Jpcc.7B09953  0.59
2017 House SD, Bonifacio CS, Timoshenko J, Kunal P, Wan H, Duan Z, Li H, Yang JC, Frenkel AI, Humphrey SM, Crooks RM, Henkelman GA. Computationally Assisted STEM and EXAFS Characterization of Tunable Rh/Au and Rh/Ag Bimetallic Nanoparticle Catalysts Microscopy and Microanalysis. 23: 2030-2031. DOI: 10.1017/S1431927617010819  0.537
2015 Zhao WY, Yu J, Ren SJ, Wei XG, Qiu FZ, Li PH, Li H, Zhou YP, Yin CZ, Chen AP, Li H, Zhang L, Zhu J, Ren Y, Lau KC. Probing the reactivity of microhydrated α-nucleophile in the anionic gas-phase S(N)2 reaction. Journal of Computational Chemistry. 36: 844-52. PMID 25760852 DOI: 10.1002/Jcc.23862  0.259
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