Bin Wang
Fuzhou University
24 Papers
101 Citations
Bin Wang is an academic researcher from Fuzhou University. The author has contributed to research in topics: Molecular orbital & Density functional theory. The author has an hindex of 8, co-authored 23 publications. Previous affiliations of Bin Wang include Pacific Northwest National Laboratory.
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Papers
Probing the Electronic and Structural Properties of the Niobium Trimer Cluster and Its Mono-and Dioxides : Nb3On-and Nb3On (n = 0-2)
TL;DR: A photoelectron spectroscopy and density functional theory (DFT) study on the electronic and structural properties of Nb(3)(-), Nb (3)O(-), N b( 3)O(2)(-) and the corresponding neutrals finds that Nb.(3)(-) possesses a C(2v) ((3)A(2)) structure, and Nb-3 is a scalene C(s) ((2)A'') triangle.
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On the Electronic Structure and Chemical Bonding in the Tantalum Trimer Cluster
TL;DR: A detailed molecular orbital analysis is performed to elucidate the chemical boding in Ta 3 (-), which is found to possess multiple d-orbital aromaticity, commensurate with its highly symmetric D 3 h structure.
51
Tetratungsten Oxide Clusters W4On−/0 (n = 10−13): Structural Evolution and Chemical Bonding
TL;DR: Density functional theory calculations suggest that W(4)O(12)(-/0) have the planar eight-membered ring structures, in which each tungsten atom is tetrahedrally coordinated with two bridging O atoms and two terminal O atoms.
24
Probing the smallest molecular model of MoS2 catalyst: S2 units in the MoS(-/0 (n = 1-5) clusters.
TL;DR: It is found that the additional sulfur atoms have a tendency to successively occupy the terminal sites in the sequential sulfidation until the Mo reaches its maximum oxidation sate of +6.
24
Exploring the Reaction Mechanism of H2S Decomposition with MS3 (M = Mo, W) Clusters
Bin Wang,Si-Yuan Zhang,Ling-Hong Ye,Xiao-Fei Zhang,Yongfan Zhang,Wen-Jie Chen +5 more
- 28 May 2020
TL;DR: D density functional theory calculations are carried out to explore the reaction mechanisms of H2S with MS3 (M = Mo, W) clusters, and may provide some insights into the optimal design of the relevant catalysts.
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