Theoretical studies on the fluorescence enhancement of benzaldehydes by intermolecular hydrogen bonding Y Su, K Li, X Yu The Journal of Physical Chemistry B 123 (4), 884-890, 2019 | 27 | 2019 |
Efficient photoexcited charge separation at the interface of a novel 0D/2D heterojunction: a time-dependent ultrafast dynamic study X Yu, Y Su, W Xu, J Zhao The Journal of Physical Chemistry Letters 12 (9), 2312-2319, 2021 | 24 | 2021 |
Tuning photoelectron dynamic behavior of thiolate-protected MAu 24 nanoclusters via heteroatom substitution X Yu, Y Sun, W Xu, J Fan, J Gao, X Jiang, Y Su, J Zhao Nanoscale Horizons 7 (10), 1192-1200, 2022 | 17 | 2022 |
Core-Packing-Related Vibrational Properties of Thiol-Protected Gold Nanoclusters and Their Excited-State Behavior X Yu, W Pei, W Xu, Y Zhao, Y Su, J Zhao Inorganic Chemistry 62 (49), 20450-20457, 2023 | 6 | 2023 |
Photoinduced Carrier Transfer Dynamics in MoSSe/WSSe Vertical and Lateral Heterostructures T Bao, X Yu, X Wang, J Zhao, Y Su The Journal of Physical Chemistry C 127 (4), 2078-2087, 2023 | 5 | 2023 |
Computational design of spatially confined triatomic catalysts for nitrogen reduction reaction W Pei, W Zhang, X Yu, L Hou, W Xia, Z Wang, Y Liu, S Zhou, Y Tu, J Zhao OAE Publishing Inc., 2023 | 4 | 2023 |
Isomerism effects in relaxation dynamics of Au24 (SR) 16 thiolate-protected gold nanoclusters Y Sun, X Yu, P Liu, W Han, W Xu, Y Su, J Zhao Nanotechnology 34 (10), 105701, 2022 | 4 | 2022 |
Compressive behavior and electronic properties of ammonia ice: a first-principles study X Yu, X Jiang, Y Su, J Zhao RSC advances 10 (44), 26579-26587, 2020 | 4 | 2020 |
Graphitic carbon nitride supported trimeric metal clusters as electrocatalysts for N2 reduction reaction W Pei, L Hou, X Yu, W Xia, Z Wang, Y Liu, S Zhou, Y Tu, J Zhao Journal of Catalysis 429, 115232, 2024 | 3 | 2024 |
Unravelling the effects of an iodine vacancy and a dipolar molecular stabilizer on hot-electron recombination of metal halide perovskites W Pei, W Xia, X Yu, L Hou, P Wang, Y Liu, S Zhou, Y Tu, J Zhao Applied Surface Science 641, 158509, 2023 | 2 | 2023 |
Theoretical research of time-dependent density functional on the initiated photo-dissociation of some typical energetic materials at excited state J Zhao, K Cheng, X Yu, J Zhao, Y Su Acta Physica Sinica 70, 1-15, 2021 | 2 | 2021 |
Theoretical predictions and electronic properties of thiolate-protected gold nanocluster: Au44 (SR) 32 Y Sun, X Yu, W Xu, Y Su, J Zhao Journal of Physics D: Applied Physics 56 (47), 475302, 2023 | 1 | 2023 |
Atomically precise gold nanoclusters for CO oxidation: balancing activity and stability by ligand shedding W Pei, J She, X Yu, S Zhou, J Zhao Journal of Physics D: Applied Physics 56 (44), 445304, 2023 | 1 | 2023 |
Polyacid-Modulated Carrier Dynamic Behavior at the Interface of 0D/2D Heterojunctions S Wang, X Yu, J Zhao, Y Su The Journal of Physical Chemistry Letters 15, 9945-9953, 2024 | | 2024 |
Density Functional Theory Prediction of Room-Temperature Two-Dimensional Ferromagnetic Materials for Applications as Spintronic Devices Y Liu, S Wang, Y Wang, Z Wang, X Rui, J Lu, Y Liu, X Zhang, X Yu ACS Applied Nano Materials, 2024 | | 2024 |
Impact of Nuclear Quantum Effects on the Structural Properties of Protonated Water Clusters M Li, P Wang, X Yu, Y Su, J Zhao The Journal of Physical Chemistry A 128 (29), 5954-5962, 2024 | | 2024 |
Effect of composition on mechanical properties of Pt-based binary and ternary alloys: A first-principles study S Yang, X Yu, X Jiang, H Wu, J Zhao Computational Materials Science 240, 113003, 2024 | | 2024 |
Two-dimensional fullerene-based monolayer materials assembled by C 80 and Sc 3 N@ C 80 Y Zhao, Y Guo, Y Zhao, X Yu, N Cherenda, Y Su, J Zhao Physical Chemistry Chemical Physics 26 (14), 10841-10849, 2024 | | 2024 |
Thickness-Dependent Nonadiabatic Recombination in MoSTe/hBN Heterostructures: An Ultrafast Dynamic Study T Bao, X Yu, J Zhao, Y Su The Journal of Physical Chemistry C 127 (39), 19769-19777, 2023 | | 2023 |
Plastic deformation behavior of Pd-based binary alloys: A first-principles study X Yu, S Yang, X Li, X Jiang, Y Su, H Wu, J Zhao Materials Today Communications 33, 104877, 2022 | | 2022 |