| The role of Cu1–O3 species in single-atom Cu/ZrO2 catalyst for CO2 hydrogenation H Zhao, R Yu, S Ma, K Xu, Y Chen, K Jiang, Y Fang, C Zhu, X Liu, Y Tang, ... Nature Catalysis 5 (9), 818-831, 2022 | 189 | 2022 |
| Machine learning for atomic simulation and activity prediction in heterogeneous catalysis: current status and future S Ma, ZP Liu ACS Catalysis 10 (22), 13213-13226, 2020 | 110 | 2020 |
| Mechanistic Study of Selective Catalytic Reduction of NO with NH3 on W-Doped CeO2 Catalysts: Unraveling the Catalytic Cycle and the Role of Oxygen Vacancy B Liu, J Liu, S Ma, Z Zhao, Y Chen, XQ Gong, W Song, A Duan, G Jiang The Journal of Physical Chemistry C 120 (4), 2271-2283, 2016 | 105 | 2016 |
| Dynamic coordination of cations and catalytic selectivity on zinc–chromium oxide alloys during syngas conversion S Ma, SD Huang, ZP Liu Nature Catalysis 2 (8), 671-677, 2019 | 103 | 2019 |
| A mechanistic DFT study of low temperature SCR of NO with NH 3 on MnCe 1− x O 2 (111) W Song, J Liu, H Zheng, S Ma, Y Wei, A Duan, G Jiang, Z Zhao, ... Catalysis Science & Technology 6 (7), 2120-2128, 2016 | 60 | 2016 |
| Mechanistic Study of Selective Catalytic Reduction of NOx with NH3 over Mn-TiO2: A Combination of Experimental and DFT Study H Zheng, W Song, Y Zhou, S Ma, J Deng, Y Li, J Liu, Z Zhao The Journal of Physical Chemistry C 121 (36), 19859-19871, 2017 | 55 | 2017 |
| Heterogeneous catalysis from structure to activity via SSW-NN method S Ma, C Shang, ZP Liu The Journal of Chemical Physics 151 (5), 2019 | 54 | 2019 |
| Facet-dependent photocatalytic performance of TiO2: A DFT study S Ma, W Song, B Liu, W Zhong, J Deng, H Zheng, J Liu, XQ Gong, Z Zhao Applied Catalysis B: Environmental 198, 1-8, 2016 | 51 | 2016 |
| Density functional theory study of the mechanism of formaldehyde oxidation on Mn-doped ceria H Wu, S Ma, W Song, EJM Hensen The Journal of Physical Chemistry C 120 (24), 13071-13077, 2016 | 51 | 2016 |
| Elucidation of the high CO 2 reduction selectivity of isolated Rh supported on TiO 2: a DFT study S Ma, W Song, B Liu, H Zheng, J Deng, W Zhong, J Liu, XQ Gong, Z Zhao Catalysis Science & Technology 6 (15), 6128-6136, 2016 | 44 | 2016 |
| TiH hydride formed on amorphous black titania: Unprecedented active species for photocatalytic hydrogen evolution S Ma, SD Huang, YH Fang, ZP Liu ACS Catalysis 8 (10), 9711-9721, 2018 | 42 | 2018 |
| Zeolite-confined subnanometric PtSn mimicking mortise-and-tenon joinery for catalytic propane dehydrogenation S Ma, ZP Liu Nature Communications 13 (1), 2716, 2022 | 39 | 2022 |
| Thermodynamic rules for zeolite formation from machine learning based global optimization S Ma, C Shang, CM Wang, ZP Liu Chemical Science 11 (37), 10113-10118, 2020 | 29 | 2020 |
| Density Functional Theory Study of the Formaldehyde Catalytic Oxidation Mechanism on a Au-Doped CeO2(111) Surface M Jing, W Song, L Chen, S Ma, J Deng, H Zheng, Y Li, J Liu, Z Zhao The Journal of Physical Chemistry C 122 (1), 438-448, 2018 | 23 | 2018 |
| Machine learning potential era of zeolite simulation S Ma, ZP Liu Chemical Science 13 (18), 5055-5068, 2022 | 18 | 2022 |
| Microporous titania crystals with penta-oxygen coordination S Ma, SD Huang, YH Fang, ZP Liu ACS Applied Energy Materials 1 (1), 22-26, 2017 | 17 | 2017 |
| Zirconia-supported ZnO single layer for syngas conversion revealed from machine-learning atomic simulation S Chen, S Ma, ZP Liu The Journal of Physical Chemistry Letters 12 (13), 3328-3334, 2021 | 15 | 2021 |
| Theoretical explanation of the photogenerated carrier separation at the surface junction W Song, S Ma, L Wang, J Liu, Z Zhao ChemCatChem 9 (23), 4340-4344, 2017 | 11 | 2017 |
| Sn1Pt single-atom alloy evolved stable PtSn/nano-Al2O3 catalyst for propane dehydrogenation Y Xing, L Kang, J Ma, Q Jiang, Y Su, S Zhang, X Xu, L Li, A Wang, ZP Liu, ... Chinese Journal of Catalysis 48, 164-174, 2023 | 10 | 2023 |
| The role of zeolite framework in zeolite stability and catalysis from recent atomic simulation S Ma, ZP Liu Topics in Catalysis 65 (1), 59-68, 2022 | 10 | 2022 |
Zhi-Pan LIUDepartment of Chemistry, Fudan UniversityVerified email at fudan.edu.cn
