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Xueke Yu
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Year
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
272019
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
242021
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
172022
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
42023
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
42023
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
42020
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
32023
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
32022
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
22021
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
12024
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
12023
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, 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
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
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
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
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