Ab initio nonadiabatic molecular dynamics investigations on the excited carriers in condensed matter systems Q Zheng, W Chu, C Zhao, L Zhang, H Guo, Y Wang, X Jiang, J Zhao Wiley Interdisciplinary Reviews: Computational Molecular Science 9 (6), e1411, 2019 | 246 | 2019 |
Direct Z-scheme water splitting photocatalyst based on two-dimensional Van Der Waals heterostructures R Zhang, L Zhang, Q Zheng, P Gao, J Zhao, J Yang The journal of physical chemistry letters 9 (18), 5419-5424, 2018 | 139 | 2018 |
Delocalized impurity phonon induced electron–hole recombination in doped semiconductors L Zhang, Q Zheng, Y Xie, Z Lan, OV Prezhdo, WA Saidi, J Zhao Nano Letters 18 (3), 1592-1599, 2018 | 95 | 2018 |
Mono-elemental properties of 2D black phosphorus ensure extended charge carrier lifetimes under oxidation: Time-domain ab initio analysis L Zhang, AS Vasenko, J Zhao, OV Prezhdo The Journal of Physical Chemistry Letters 10 (5), 1083-1091, 2019 | 78 | 2019 |
Suppression of electron–hole recombination by intrinsic defects in 2D monoelemental material L Zhang, W Chu, Q Zheng, AV Benderskii, OV Prezhdo, J Zhao The Journal of Physical Chemistry Letters 10 (20), 6151-6158, 2019 | 73 | 2019 |
Dynamics of photoexcited small polarons in transition-metal oxides L Zhang, W Chu, C Zhao, Q Zheng, OV Prezhdo, J Zhao The Journal of Physical Chemistry Letters 12 (9), 2191-2198, 2021 | 47 | 2021 |
Negative Differential Friction Predicted in 2D Ferroelectric In2Se3 Commensurate Contacts J Sun, L Zhang, R Pang, XJ Zhao, J Cheng, Y Zhang, X Xue, X Ren, ... Advanced Science 9 (2), 2103443, 2022 | 17 | 2022 |
Tuning the Lifetime of Photoexcited Small Polarons on Rutile TiO2 Surface via Molecular Adsorption C Gao, L Zhang, Q Zheng, J Zhao The Journal of Physical Chemistry C 125 (49), 27275-27282, 2021 | 17 | 2021 |
Thickness Dependent Ultrafast Charge Transfer in BP/MoS2 Heterostructure Y Yin, X Zhao, X Ren, K Liu, J Zhao, L Zhang, S Li Advanced Functional Materials 32 (45), 2206952, 2022 | 16 | 2022 |
Effects of oxygen vacancies on the photoexcited carrier lifetime in rutile TiO 2 L Zhang, W Chu, Q Zheng, J Zhao Physical Chemistry Chemical Physics 24 (8), 4743-4750, 2022 | 13 | 2022 |
Highly efficient catalytic properties of Sc and Fe single atoms stabilized on a honeycomb borophene/Al (111) heterostructure via a dual charge transfer effect M Ren, L Zhang, Y Zhu, J Shi, X Zhao, X Ren, S Li Nanoscale 13 (11), 5875-5882, 2021 | 13 | 2021 |
Selective Hydrogenation of CO2 to CH3OH on a Dynamically Magic Single-Cluster Catalyst: Cu3/MoS2/Ag(111) Y Wang, Y Zhu, X Zhu, J Shi, X Ren, L Zhang, S Li ACS Catalysis 13 (1), 714-724, 2022 | 11 | 2022 |
Plasmon-mediated photodecomposition of NH3 via intramolecular charge transfer Y Zhang, W Meng, D Chen, L Zhang, S Li, S Meng Nano Research, 1-7, 2022 | 11 | 2022 |
Electronic properties of Cr-N codoped rutile TiO2 (110) thin films Z Cheng, L Zhang, S Dong, X Ma, H Ju, J Zhu, X Cui, J Zhao, B Wang Surface Science 666, 84-89, 2017 | 10 | 2017 |
Promoting Water Activation by Photogenerated Holes in Monolayer C2N P Gao, L Zhang, C Fu, Y Tian, X Li, X Li, J Yang The Journal of Physical Chemistry Letters 13 (15), 3332-3337, 2022 | 8 | 2022 |
Investigation of ab initio nonadiabatic molecular dynamics of excited carriers in condensed matter systems Z Zhen-Fa, J Xiang, C Wei-Bin, Z Li-Li, G Hong-Li, Z Chuan-Yu, W Ya-Nan, ... ACTA PHYSICA SINICA 70 (17), 2021 | 4 | 2021 |
Synergetic Role of Thermal Catalysis and Photocatalysis in CO2 Reduction on Cu2/MoS2 Q Wang, H Wang, X Ren, R Pang, X Zhao, L Zhang, S Li The Journal of Physical Chemistry Letters 14 (38), 8421-8427, 2023 | 1 | 2023 |
Visualizing Atomic Quantum Defects in Ultrathin 1T-PtTe2 J Ren, L Zhang, Q Wang, L Wang, Y Shi, H Zhou, A Wang, D Zhao, T Hao, ... The Journal of Physical Chemistry Letters 14 (19), 4554-4559, 2023 | 1 | 2023 |
Excited Carrier Dynamics in Condensed Matter Systems Investigated by ab initio Nonadiabatic Molecular Dynamics Q Zheng, W Chu, X Jiang, L Zhang, Y Tian, H Guo, J Zhao Time-Dependent Density Functional Theory, 275-319, 2022 | | 2022 |