期刊
AIP ADVANCES
卷 5, 期 5, 页码 -出版社
AIP Publishing
DOI: 10.1063/1.4921564
关键词
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资金
- National 973 Program of China [2011CB935903]
- Fundamental Research Funds for the Central Universities [20720150033]
- National Natural Science Foundation of China [11104229, 21233004]
Single adsorption of different atoms on pristine two-dimensional monolayer MoS2 have been systematically investigated by using density functional calculations with van der Waals correction. The adatoms cover alkali metals, alkaline earth metals, main group metal, 3d-transition metals, coinage metal and nonmetal atoms. Depending on the adatom type, metallic, semimetallic or semiconducting behavior can be found in direct bandgap monolayer MoS2. Additionally, local or long-range magnetic moments of two-dimensional MoS2 sheet can also attained through the adsorption. The detailed atomic-scale knowledge of single adsorption on MoS2 monolayer is important not only for the sake of a theoretical understanding, but also device level deposition technological application. (C) 2015 Author(s). All article content, except where otherwise noted, is licensed under a Creative Commons Attribution 3.0 Unported License.
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