Interaction of VSe2 with Ambient Gases: Stability and Chemical Reactivity

Raju Edla, Chia Nung Kuo, Piero Torelli, Chin Shan Lue, Danil W. Boukhvalov, Antonio Politano

Research output: Contribution to journalArticle

Abstract

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.

Original languageEnglish
Article number1900332
JournalPhysica Status Solidi - Rapid Research Letters
DOIs
Publication statusAccepted/In press - 2019 Jan 1

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Chemical reactivity
reactivity
Gases
gases
interactions
Water
surface stability
water
adsorption
air
Oxygen
oxygen
Adsorption
synchrotrons
Air
Synchrotrons
Vacancies
photoelectron spectroscopy
X ray photoelectron spectroscopy
oxidation

All Science Journal Classification (ASJC) codes

  • Materials Science(all)
  • Condensed Matter Physics

Cite this

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abstract = "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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Interaction of VSe2 with Ambient Gases : Stability and Chemical Reactivity. / Edla, Raju; Kuo, Chia Nung; Torelli, Piero; Lue, Chin Shan; Boukhvalov, Danil W.; Politano, Antonio.

In: Physica Status Solidi - Rapid Research Letters, 01.01.2019.

Research output: Contribution to journalArticle

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AU - Edla, Raju

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AU - Politano, Antonio

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