| Theoretical insights into the mechanism of selective nitrate‐to‐ammonia electroreduction on single‐atom catalysts H Niu, Z Zhang, X Wang, X Wan, C Shao, Y Guo Advanced Functional Materials 31 (11), 2008533, 2021 | 296 | 2021 |
| Unraveling the origin of sulfur‐doped Fe‐N‐C single‐atom catalyst for enhanced oxygen reduction activity: effect of iron spin‐state tuning Z Chen, H Niu, J Ding, H Liu, PH Chen, YH Lu, YR Lu, W Zuo, L Han, ... Angewandte Chemie 133 (48), 25608-25614, 2021 | 202 | 2021 |
| Computational Screening Single-Atom Catalysts Supported on g-CN for N2 Reduction: High Activity and Selectivity H Niu, X Wang, C Shao, Z Zhang, Y Guo ACS Sustainable Chemistry & Engineering 8 (36), 13749-13758, 2020 | 180 | 2020 |
| Revealing the oxygen reduction reaction activity origin of single atoms supported on gC 3 N 4 monolayers: a first-principles study H Niu, X Wang, C Shao, Y Liu, Z Zhang, Y Guo Journal of materials chemistry A 8 (14), 6555-6563, 2020 | 153 | 2020 |
| Single-Atom Rhodium on Defective g-C3N4: A Promising Bifunctional Oxygen Electrocatalyst H Niu, X Wan, X Wang, C Shao, J Robertson, Z Zhang, Y Guo ACS Sustainable Chemistry & Engineering 9 (9), 3590-3599, 2021 | 142 | 2021 |
| A Feasible Strategy for Identifying Single‐Atom Catalysts Toward Electrochemical NO‐to‐NH3 Conversion H Niu, Z Zhang, X Wang, X Wan, C Kuai, Y Guo Small 17 (36), 2102396, 2021 | 96 | 2021 |
| Machine-Learning-Accelerated Catalytic Activity Predictions of Transition Metal Phthalocyanine Dual-Metal-Site Catalysts for CO2 Reduction X Wan, Z Zhang, H Niu, Y Yin, C Kuai, J Wang, C Shao, Y Guo The Journal of Physical Chemistry Letters 12 (26), 6111-6118, 2021 | 82 | 2021 |
| Theoretical study on the photocatalytic properties of 2D InX (X= S, Se)/transition metal disulfide (MoS 2 and WS 2) van der Waals heterostructures H Guo, Z Zhang, B Huang, X Wang, H Niu, Y Guo, B Li, R Zheng, H Wu Nanoscale 12 (38), 20025-20032, 2020 | 52 | 2020 |
| Theoretical investigation on graphene-supported single-atom catalysts for electrochemical CO 2 reduction X Wang, H Niu, Y Liu, C Shao, J Robertson, Z Zhang, Y Guo Catalysis Science & Technology 10 (24), 8465-8472, 2020 | 41 | 2020 |
| Revealing the oxygen reduction/evolution reaction activity origin of carbon-nitride-related single-atom catalysts: quantum chemistry in artificial intelligence X Wan, W Yu, H Niu, X Wang, Z Zhang, Y Guo Chemical Engineering Journal 440, 135946, 2022 | 36 | 2022 |
| Enhanced electrochemical oxygen evolution reaction activity on natural single-atom catalysts transition metal phthalocyanines: the substrate effect X Wan, H Niu, Y Yin, X Wang, C Shao, Z Zhang, Y Guo Catalysis Science & Technology 10 (24), 8339-8346, 2020 | 26 | 2020 |
| Co-porphyrin/Ru-pincer complex coupled polymer with Z-scheme molecular junctions and dual single-atom sites for visible light-responsive CO2 reduction S Chen, P Kong, H Niu, H Liu, X Wang, J Zhang, R Li, Y Guo, T Peng Chemical Engineering Journal 431, 133357, 2022 | 24 | 2022 |
| Impact of Coordination Environment on Single-Atom-Embedded C3N for Oxygen Electrocatalysis X Wang, H Niu, X Wan, A Wang, FR Wang, Y Guo ACS Sustainable Chemistry & Engineering 10 (23), 7692-7701, 2022 | 23 | 2022 |
| Machine-learning-assisted discovery of highly efficient high-entropy alloy catalysts for the oxygen reduction reaction X Wan, Z Zhang, W Yu, H Niu, X Wang, Y Guo Patterns 3 (9), 2022 | 22 | 2022 |
| Two-dimensional metal–organic frameworks as efficient electrocatalysts for bifunctional oxygen evolution/reduction reactions A Wang, H Niu, X Wang, X Wan, L Xie, Z Zhang, J Wang, Y Guo Journal of Materials Chemistry A 10 (24), 13005-13012, 2022 | 21 | 2022 |
| Identifying TM-N4 active sites for selective CO2-to-CH4 conversion: A computational study X Wang, H Niu, X Wan, J Wang, C Kuai, Z Zhang, Y Guo Applied Surface Science 582, 152470, 2022 | 17 | 2022 |
| Adsorption and diffusion of alkali atoms on FeX2 (X= Se, S) surfaces for potassium-ion battery applications S Xu, Y Yin, H Niu, X Wang, C Shao, K Xi, Z Zhang, Y Guo Applied Surface Science 536, 147774, 2021 | 17 | 2021 |
| Strain-promoted conductive metal-benzenhexathiolate frameworks for overall water splitting X Wang, H Niu, X Wan, Z Zhang, FR Wang, Y Guo Journal of Colloid and Interface Science 624, 160-167, 2022 | 11 | 2022 |
| Tunable contacts and device performances in graphene/group-III monochalcogenides MX (M= In, Ga; X= S, Se) van der Waals heterostructures H Guo, Y Yin, H Niu, J Robertson, Z Zhang, Y Guo Journal of Applied Physics 130 (14), 2021 | 9 | 2021 |
| Cyclocrosslinked polyphosphazene modified MXene as aqueous supercapacitor L Li, H Niu, J Robertson, Z Jiang, Y Guo, C Kuai Electrochimica Acta 439, 141574, 2023 | 8 | 2023 |
Zhaofu ZHANGWuhan University, University of Cambridge, Hong Kong University of Science and TechnologyBestätigte E-Mail-Adresse bei whu.edu.cn
