A density functional theory study of the adsorption of Cl2, NH3, and NO2 on Ag3-doped WSe2 monolayers
出版年份 2021 全文链接
标题
A density functional theory study of the adsorption of Cl2, NH3, and NO2 on Ag3-doped WSe2 monolayers
作者
关键词
DFT calculations, Toxic gas adsorption, Ag, 3, -doping, WSe, 2, monolayer
出版物
APPLIED SURFACE SCIENCE
Volume 563, Issue -, Pages 150329
出版商
Elsevier BV
发表日期
2021-06-11
DOI
10.1016/j.apsusc.2021.150329
参考文献
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- (2021) V. Nagarajan et al. JOURNAL OF MOLECULAR LIQUIDS
- Tunable electronic properties of SnS2/WSe2 hetero-structure: A frist principle study
- (2021) Yue Guan et al. SUPERLATTICES AND MICROSTRUCTURES
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- (2021) Yiming Liao et al. PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES
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- (2020) Cara-Lena Nies et al. Beilstein Journal of Nanotechnology
- Theoretical investigation of the adsorption of gas molecules on WSe2 monolayers decorated with Pt, Au nanoclusters
- (2020) Xiaohui Lu et al. APPLIED SURFACE SCIENCE
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- (2020) Xue Ye et al. APPLIED SURFACE SCIENCE
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- (2020) Xin Gao et al. APPLIED SURFACE SCIENCE
- Adsorption of small gas molecules on strained monolayer WSe2 doped with Pd, Ag, Au, and Pt: A computational investigation
- (2020) Jiaming Ni et al. APPLIED SURFACE SCIENCE
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- (2020) Zhen Xiao et al. CHEMICAL PHYSICS LETTERS
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- (2020) Bing-Yu Yang et al. THIN SOLID FILMS
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- (2020) R. Bhuvaneswari et al. CHEMICAL PHYSICS LETTERS
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- (2020) V. Nagarajan et al. JOURNAL OF MOLECULAR GRAPHICS & MODELLING
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- (2020) M.S. Jyothi et al. Computational and Theoretical Chemistry
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- (2020) Yongfeng Qu et al. Computational and Theoretical Chemistry
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- (2019) Haixia Chen et al. SUPERLATTICES AND MICROSTRUCTURES
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- (2019) Shurooq Sabah Abed Al-Abbas et al. SUPERLATTICES AND MICROSTRUCTURES
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- (2012) Seung Geol Lee et al. APPLIED CLAY SCIENCE
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