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Hao Li
Hao Li
Associate Professor, Leader of the Digital Catalysis Lab (DigCat), Tohoku University
Verified email at tohoku.ac.jp - Homepage
Title
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Year
Dual Single‐Atomic Ni‐N4 and Fe‐N4 Sites Constructing Janus Hollow Graphene for Selective Oxygen Electrocatalysis
J Chen†, H Li†, C Fan, Q Meng, Y Tang, X Qiu, G Fu, T Ma
Advanced Materials 32 (30), 2003134, 2020
4612020
Recent advances in carbon dioxide utilization
Z Zhang, SY Pan, H Li, J Cai, AG Olabi, EJ Anthony, V Manovic
Renewable and Sustainable Energy Reviews 125, 109799, 2020
4552020
Progress in enhancement of CO2 absorption by nanofluids: A mini review of mechanisms and current status
Z Zhang, J Cai, F Chen, H Li, W Zhang, W Qi
Renewable Energy 118, 527-535, 2018
3042018
Application of artificial neural networks for catalysis: a review
H Li, Z Zhang, Z Liu
Catalysts 7 (10), 306, 2017
2392017
Effects of ensembles, ligand, and strain on adsorbate binding to alloy surfaces
H Li, K Shin, G Henkelman
The Journal of chemical physics 149 (17), 2018
2332018
Sulfur Loading and Speciation Control the Hydrophobicity, Electron Transfer, Reactivity, and Selectivity of Sulfidized Nanoscale Zerovalent Iron
J Xu, A Avellan, H Li, X Liu, V Noël, Z Lou, Y Wang, R Kaegi, ...
Advanced Materials 32 (17), 1906910, 2020
2242020
Tuning the catalytic preference of ruthenium catalysts for nitrogen reduction by atomic dispersion
B Yu†, H Li†, J White, S Donne, J Yi, S Xi, Y Fu, G Henkelman, H Yu, ...
Advanced Functional Materials 30 (6), 1905665, 2020
1872020
Design of a Pd–Au nitrite reduction catalyst by identifying and optimizing active ensembles
H Li, S Guo, K Shin, MS Wong, G Henkelman
ACS Catalysis 9 (9), 7957-7966, 2019
1672019
Design of high-performance water-in-glass evacuated tube solar water heaters by a high-throughput screening based on machine learning: A combined modeling and experimental study
Z Liu†, H Li†, K Liu, H Yu, K Cheng
Solar Energy 142, 61-67, 2017
1652017
Analysis of the limitations in the oxygen reduction activity of transition metal oxide surfaces
H Li, S Kelly, D Guevarra, Z Wang, Y Wang, JA Haber, M Anand, ...
Nature Catalysis 4 (6), 463-468, 2021
1602021
Intrinsic Activity of Metal Centers in Metal–Nitrogen–Carbon Single-Atom Catalysts for Hydrogen Peroxide Synthesis
C Liu†, H Li†, F Liu, J Chen, Z Yu, Z Yuan, C Wang, H Zheng, ...
Journal of the American Chemical Society 142 (52), 21861–21871, 2020
1562020
Rational Design of Rhodium–Iridium Alloy Nanoparticles as Highly Active Catalysts for Acidic Oxygen Evolution
H Guo, Z Fang, H Li, D Fernandez, G Henkelman, SM Humphrey, G Yu
ACS nano 13 (11), 13225-13234, 2019
1512019
Gd-induced electronic structure engineering of a NiFe-layered double hydroxide for efficient oxygen evolution
M Li†, H Li†, X Jiang, M Jiang, X Zhan, G Fu, JM Lee, Y Tang
Journal of Materials Chemistry A 9 (5), 2999-3006, 2021
1352021
New insights into the solid-state hydrogen storage of nanostructured LiBH4-MgH2 system
Z Ding, H Li, L Shaw
Chemical Engineering Journal 385, 123856, 2020
1342020
Oxygen Reduction Reaction on Classically Immiscible Bimetallics: A Case Study of RhAu
H Li, L Luo, P Kunal, CS Bonifacio, Z Duan, JC Yang, SM Humphrey, ...
The Journal of Physical Chemistry C 122 (5), 2712-2716, 2018
1342018
Iron and Sulfur Precursors Affect Crystalline Structure, Speciation, and Reactivity of Sulfidized Nanoscale Zerovalent Iron
J Xu, A Avellan, H Li, E Clark, G Henkelman, R Kaegi, GV Lowry
Environmental Science & Technology 54 (20), 13294–13303, 2020
1292020
Dehydrogenation Selectivity of Ethanol on Close-Packed Transition Metal Surfaces: A Computational Study of Monometallic, Pd/Au, and Rh/Au Catalysts
H Li, G Henkelman
The Journal of Physical Chemistry C 121 (49), 27504-27510, 2017
1152017
Tunability of the adsorbate binding on bimetallic alloy nanoparticles for the optimization of catalytic hydrogenation
L Luo, Z Duan, H Li, J Kim, G Henkelman, RM Crooks
Journal of the American Chemical Society 139 (15), 5538-5546, 2017
1122017
PdAu alloy nanoparticle catalysts: effective candidates for nitrite reduction in water
S Seraj, P Kunal, H Li, G Henkelman, SM Humphrey, CJ Werth
ACS Catalysis 7 (5), 3268-3276, 2017
1102017
Sea-urchin-structure g-C3N4 with narrow bandgap (˜ 2.0 eV) for efficient overall water splitting under visible light irradiation
Y Zeng†, H Li†, J Luo, J Yuan, L Wang, C Liu, Y Xia, M Liu, S Luo, T Cai, ...
Applied Catalysis B: Environmental 249, 275-281, 2019
1092019
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