Materials Science, Physical and Theoretical Chemistry, Electrochemistry, Renewable Energy, Sustainability and the Environment
5489
Scholar Citations
44
Scholar h-index
69
Scholar i10-index
RECENT SCHOLAR PUBLICATIONS
Single-iron catalyst with heterogenized TEMPO for selective toluene electrooxidation to benzaldehyde at low potentials X Tan, Y Liu, Q Tan, C Su, D Chen, Z Duan, W Gou, Y Ma, Z Dai, Y Qu Nature Communications , 2026 2026
Grain‐Boundary‐Free Fusion of Non‐Oriented Nanocrystals via Transient Amorphization K Wang, Y Ding, K Tong, H Zhang, Y Guo, J Zhao, X Gao, Z Duan, ... Small 22 (27), e14681 , 2026 2026
Synergistic Enhancement of CO2 Adsorption in Multi-Modified MOFs: Structure-Performance Relationship of Electrostatic Interaction and Exposure Site Z Fan, Y Wang, M Yuan, X Zhou, Z Duan, H Fu Journal of Environmental Chemical Engineering, 122547 , 2026 2026
Synergistic cation-facet effects boost alkaline hydrogen evolution kinetics on stepped Pt surfaces Q Zhang, P Sun, H Li, Z Duan Communications Chemistry 9, 113 , 2026 2026 Citations: 1
Beyond the Volcano: Kinetic Insights into the Hydrogen Evolution Reaction on Platinum M Sun, Z Duan ACS Electrochemistry 2 (4), 904–912 , 2026 2026 Citations: 1
Decoding Electric Double Layer Effects on CO 2 Electroreduction on Ni–N–C via Multiscale Modeling K Ye, Y Han, F Wu, M Hu, Z Duan, PJ Hu, G Zhang, MSG Ahlquist ACS Catalysis 16 (1), 519-527 , 2025 2025 Citations: 1
Unveiling Atomic-Level Synergy of Pt 3 Fe Alloy Nanoparticles and Fe Single Atoms for Enhanced Electrochemical Stability W Huang, J Nie, Z Zheng, X Wang, C Qiu, X Li, Z Zhou, Z Duan, Y Wang, ... JACS Au 5 (11), 5726-5738 , 2025 2025 Citations: 5
How Cation Size Modulates the Anion Effect in CO 2 Electroreduction: Insights from Multiscale Modeling of Electrochemical Interfaces K Ye, Y Han, F Wu, X Cheng, Z Duan, G Zhang, P Hu, MSG Ahlquist ACS Catalysis 15 (21), 17672-17677 , 2025 2025 Citations: 6
Atomic Origin of Activity-Stability Trade-Off in Strain-Engineered Pt-Based Oxygen Reduction Catalysts L Li, L Wang, Z Duan The Journal of Physical Chemistry C 129 (36), 15991-15997 , 2025 2025 Citations: 2
Synergistic Fe/Co Doping and Vacancy Engineering for Stable RuO x in Acidic OER Y Zhao, L Li, Z Wang, W Li, Z Han, Y Cui, Z Duan, W Wang, X Fu ACS Applied Materials & Interfaces 17 (35), 49461-49471 , 2025 2025 Citations: 6
Potential-driven structural evolution of single-atom rhenium sites enables high-performance oxygen electrode reaction and rechargeable Zn-air battery L Qi, X Bai, Y Wang, Z Duan, L Li, J Guan CCS Chemistry 7 (8), 2508-2519 , 2025 2025 Citations: 32
How Cation Size Modulates Anion Effect in CO2 Electroreduction: Insights From Operando-Mimicking Modeling K Ye, Y Han, F Wu, X Cheng, Z Duan, G Zhang, P Hu, M Ahlquist ChemRxiv 2025 (0508) , 2025 2025
Reinforced ROS Generation and Anti‐Photocorrosion for Boosted Photooxidation Disinfection by IEF‐Enhanced Type II Charge Carrier Dynamics J Zhang, G Yu, C Yang, W Zhao, Z Duan, H Liu, S Li SusMat 5 (2), e70002 , 2025 2025 Citations: 92
In Situ Modulated Nickel Single Atoms on Bicontinuous Porous Carbon Fibers and Sheets Networks for Acidic CO2 Reduction H Li, L Fang, T Wang, R Bai, J Zhang, T Li, Z Duan, KJ Chen, F Pan Advanced Materials 37, 2416337 , 2025 2025 Citations: 34
Enzyme‐Inspired Single Selenium Site for Selective Oxygen Reduction Y Wang, P Zhang, X Xu, W Yu, Z Duan, H Huang, T Wang, G Fu, Z Zhou, ... Angewandte Chemie International Edition 64, e202418897 , 2025 2025 Citations: 14
Deciphering potential-driven dynamics in Fe–N–C catalysts: ab initio insights into Fe–N switching and spin-state transition H Li, F Tian, Z Duan Chemical Science 16 (33), 14894-14904 , 2025 2025 Citations: 4
An FePb-doped RuO 2 coupled amorphous/crystalline heterophase for efficient acidic oxygen evolution reaction Y Zhao, Y Long, W Liu, Z Han, Y Cui, Z Li, W Wang, Z Duan, X Fu Journal of Materials Chemistry A 13 (12), 8474-8483 , 2025 2025 Citations: 9
Interplanar synergy of a copper-based electrocatalyst favors the reduction of CO 2 into C 2+ products J Li, X Duan, C Wu, Y Cao, Z Duan, W Fan, P Zhang, F Zhang EES Catalysis 3 (1), 80-86 , 2025 2025 Citations: 2
Spin-Orientation-Dependent O 2 Adsorption Mechanism in Fe Single-Atom Catalysts J Xie, Z Duan The Journal of Physical Chemistry C 128 (49), 20819-20826 , 2024 2024 Citations: 10
Ni‐Electrocatalytic CO 2 Reduction Toward Ethanol T Wang, X Duan, R Bai, H Li, C Qin, J Zhang, Z Duan, KJ Chen, F Pan Advanced Materials 36 (44), 2410125 , 2024 2024 Citations: 63
MOST CITED SCHOLAR PUBLICATIONS
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 2018 Citations: 329
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 2011 Citations: 309
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 2013 Citations: 232
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 2019 Citations: 195
Rational design of heterogenized molecular phthalocyanine hybrid single-atom electrocatalyst towards two-electron oxygen reduction W Fan, Z Duan, W Liu, R Mehmood, J Qu, Y Cao, X Guo, J Zhong, ... Nature Communications 14 (1), 1426 , 2023 2023 Citations: 187
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 2012 Citations: 174
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 2019 Citations: 160
Surface Charge and Electrostatic Spin Crossover Effects in CoN 4 Electrocatalysts Z Duan, G Henkelman ACS Catalysis 10 (20), 12148-12155 , 2020 2020 Citations: 154
Detection of CO 2 •– 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 2017 Citations: 146
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 2018 Citations: 141
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 2019 Citations: 140
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 2017 Citations: 132
Well-defined nanoparticle electrocatalysts for the refinement of theory JA Trindell, Z Duan, G Henkelman, RM Crooks Chemical reviews 120 (2), 814-850 , 2019 2019 Citations: 126
CO Oxidation at the Au/TiO 2 Boundary: The Role of the Au/Ti 5c Site Z Duan, G Henkelman ACS Catalysis 5 (3), 1589-1595 , 2015 2015 Citations: 126
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 2020 Citations: 120
Ru-based catalysts for efficient CO 2 methanation: Synergistic catalysis between oxygen vacancies and basic sites C Wang, Y Lu, Y Zhang, H Fu, S Sun, F Li, Z Duan, Z Liu, C Wu, Y Wang, ... Nano Research 16 (10), 12153-12164 , 2023 2023 Citations: 115
Simulation of Potential-Dependent Activation Energies in Electrocatalysis: Mechanism of O–O Bond Formation on RuO 2 Z Duan, P Xiao The Journal of Physical Chemistry C 125 (28), 15243-15250 , 2021 2021 Citations: 106
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 2022 Citations: 104
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 2018 Citations: 104
CO oxidation on the Pd (111) surface Z Duan, G Henkelman Acs Catalysis 4 (10), 3435-3443 , 2014 2014 Citations: 100
