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 |
0.54 |
|
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 |
0.481 |
|
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 |
0.496 |
|
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 |
0.476 |
|
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 |
0.487 |
|
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 |
0.497 |
|
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 |
0.507 |
|
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 |
0.436 |
|
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 |
0.424 |
|
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 |
0.684 |
|
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 |
0.463 |
|
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 |
0.592 |
|
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 |
0.553 |
|
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 |
0.708 |
|
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 |
0.607 |
|
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 |
0.544 |
|
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 |
0.578 |
|
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 |
0.581 |
|
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 |
0.564 |
|
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 |
0.606 |
|
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 |
0.588 |
|
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 |
0.601 |
|
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 |
0.592 |
|
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 |
0.558 |
|
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 |
0.592 |
|
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 |
0.622 |
|
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 |
0.594 |
|
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 |
0.54 |
|
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