Zhiyao Duan
Zhiyao Duan
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Water oxidation on a mononuclear manganese heterogeneous catalyst
J Guan, Z Duan, F Zhang, SD Kelly, R Si, M Dupuis, Q Huang, JQ Chen, ...
Nature Catalysis 1 (11), 870-877, 2018
A first principles study of oxygen reduction reaction on a Pt (111) surface modified by a subsurface transition metal M (M= Ni, Co, or Fe)
Z Duan, G Wang
Physical Chemistry Chemical Physics 13 (45), 20178-20187, 2011
Comparison of reaction energetics for oxygen reduction reactions on Pt (100), Pt (111), Pt/Ni (100), and Pt/Ni (111) surfaces: a first-principles study
Z Duan, G Wang
The Journal of Physical Chemistry C 117 (12), 6284-6292, 2013
Rational development of ternary alloy electrocatalysts
C Wang, D Li, M Chi, J Pearson, RB Rankin, J Greeley, Z Duan, G Wang, ...
The journal of physical chemistry letters 3 (12), 1668-1673, 2012
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
Atomically dispersed manganese-based catalysts for efficient catalysis of oxygen reduction reaction
L Bai, Z Duan, X Wen, R Si, J Guan
Applied Catalysis B: Environmental 257, 117930, 2019
Theoretical resolution of the exceptional oxygen reduction activity of Au (100) in alkaline media
Z Duan, G Henkelman
ACS Catalysis 9 (6), 5567-5573, 2019
Highly dispersed ruthenium-based multifunctional electrocatalyst
L Bai, Z Duan, X Wen, R Si, Q Zhang, J Guan
ACS Catalysis 9 (11), 9897-9904, 2019
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
CO Oxidation at the Au/TiO2 Boundary: The Role of the Au/Ti5c Site
Z Duan, G Henkelman
ACS Catalysis 5 (3), 1589-1595, 2015
Detection of CO2•– in the Electrochemical Reduction of Carbon Dioxide in N,N-Dimethylformamide by Scanning Electrochemical Microscopy
T Kai, M Zhou, Z Duan, GA Henkelman, AJ Bard
Journal of the American Chemical Society 139 (51), 18552-18557, 2017
Well-defined nanoparticle electrocatalysts for the refinement of theory
JA Trindell, Z Duan, G Henkelman, RM Crooks
Chemical reviews 120 (2), 814-850, 2019
Atomic cobalt catalysts for the oxygen evolution reaction
Q Zhang, Z Duan, M Li, J Guan
Chemical communications 56 (5), 794-797, 2020
Identification of active sites of pure and nitrogen-doped carbon materials for oxygen reduction reaction using constant-potential calculations
Z Duan, G Henkelman
The Journal of Physical Chemistry C 124 (22), 12016-12023, 2020
Formation of HONO from the NH3-promoted hydrolysis of NO2 dimers in the atmosphere
L Li, Z Duan, H Li, C Zhu, G Henkelman, JS Francisco, XC Zeng
Proceedings of the National Academy of Sciences 115 (28), 7236-7241, 2018
CO oxidation on the Pd (111) surface
Z Duan, G Henkelman
Acs Catalysis 4 (10), 3435-3443, 2014
Calculations of CO Oxidation over a Au/TiO2 Catalyst: A Study of Active Sites, Catalyst Deactivation, and Moisture Effects
Z Duan, G Henkelman
ACS Catalysis 8 (2), 1376-1383, 2018
Surface Charge and Electrostatic Spin Crossover Effects in CoN4 Electrocatalysts
Z Duan, G Henkelman
ACS Catalysis 10 (20), 12148-12155, 2020
Density Functional Theory Study of an Oxygen Reduction Reaction on a Pt3Ti Alloy Electrocatalyst
S Kattel, Z Duan, G Wang
The Journal of Physical Chemistry C 117 (14), 7107-7113, 2013
Unveiling the active sites of ultrathin Co-Fe layered double hydroxides for the oxygen evolution reaction
X Bai, Z Duan, B Nan, L Wang, T Tang, J Guan
Chinese Journal of Catalysis 43 (8), 2240-2248, 2022
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