期刊
PHYSICA STATUS SOLIDI-RAPID RESEARCH LETTERS
卷 14, 期 2, 页码 -出版社
WILEY-V C H VERLAG GMBH
DOI: 10.1002/pssr.201900332
关键词
density functional theory; surface science; vanadium diselenide; VSe2; X-ray photoelectron spectroscopy
资金
- Elettra Sincrotrone-Trieste
Combining first-principles calculations with synchrotron-based X-ray photoelectron spectroscopy, the surface chemical reactivity of VSe2 single crystals toward oxygen, water, and air is assessed. It is found that the pristine, undefected surface is inert toward oxygen and water adsorption. The presence of Se defects drastically changes the surface reactivity. Specifically, water adsorption at room temperature is dissociative and mainly localized at Se vacancies. In contrast, surface oxidation is achieved only after long-term air exposure (1 month). These results are crucial to assess the surface stability in ambient environment in the prospect of VSe2-based applications.
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