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Adsorption of VOCs onto Single Vacancy Defected Germanene Monolayer: a Study on Their Structure and Electronic Properties by DFT Calculations

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The two-dimensional germanene material is one of the potential candidates for sensor applications for gases such as VOCs due to its unique structural and electronic properties. The fabrication of these… Click to show full abstract

The two-dimensional germanene material is one of the potential candidates for sensor applications for gases such as VOCs due to its unique structural and electronic properties. The fabrication of these materials is practically not free from defects in the material. Therefore, to better understand the structural and electronic properties of this material when adsorbing VOCs, this study performed DFT calculations of single vacancy-defected monolayer germanene when adsorbing molecules such as acetone, propanol

Keywords: dft calculations; vacancy defected; single vacancy; electronic properties; study

Journal Title: Polish Journal of Environmental Studies
Year Published: 2023

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