Xiaohui Wang
China University of Petroleum
8 Papers
5 Citations
Xiaohui Wang is an academic researcher from China University of Petroleum. The author has contributed to research in topics: Monolayer & Adsorption. The author has an hindex of 4, co-authored 8 publications.
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Papers
Adsorption of 3d, 4d, and 5d transition-metal atoms on single-layer boron nitride
TL;DR: In this article, the adsorption of 3D, 4d, and 5d transition-metal (TM) atoms on single-layer boron nitride (SLBN) sheets was systematically studied through comparison of structural and magnetic properties determined using first-principles calculations.
28
Two-dimensional uranium halide monolayers UX3 (XCl, Br) with high Curie temperatures
TL;DR: In this paper, the authors explored the electronic structures and magnetic properties of UX3 by using density functional theory and found that UX3 has a ferromagnetic order with inplane magnetic easy axis (i.e., along x direction), and its magnetic anisotropy is 31.2∼34.2 meV per U atom.
11
Hydrogen Clathrate Structures in Uranium Hydrides at High Pressures.
Xiaohui Wang,Fawei Zheng,Zhuowei Gu,Fuli Tan,Jianheng Zhao,Cangli Liu,Chengwei Sun,Jian Liu,Ping Zhang +8 more
- 28 Jan 2021
TL;DR: In this paper, first-principles calculations for stable H-rich clathrate structures of uranium hydrides at high pressures were reported. But the results were limited to the case of UH10 clathrates with H cages with stoichiometries of H24, H29 and H32.
5
First-principles study of plutonium adsorption on perfect and defective graphene and hexagonal boron nitride
Shujing Li,Mei Zhou,Menglei Li,Xiaohui Wang,Fawei Zheng,Ping Zhang +5 more
- 25 May 2018
TL;DR: In this article, the adsorption of the Pu atom on perfect and defective graphene and hexagonal boron nitride (h-BN) sheet has been systematically investigated by using first-principles calculations.
3
Tunable direct-indirect band gaps of ZrSe2 nanoribbons
TL;DR: In this article, the atomic and electronic structures of armchair and zigzag ZrSe2 nanoribbons have been investigated systematically, and it was shown that the energy gap for the armchair ribbons change from direct gaps to indirect ones as the ribbon width increases and exhibit a width-dependent oscillation behavior.