2024
DOI: 10.1021/acs.jpclett.4c02897
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Gas Adsorption on the Co2Te3 Monolayer: Density Functional Theory Study

T. N. Kobernik,
A. I. Kartsev

Abstract: We report a numerical investigation of the chemical adsorption of acetone and carbon dioxide gases by a cobalt telluride (III) 2D layer. Calculations were performed using first principles calculations within the density functional theory to evaluate the adsorbed gas impact on the material's conductivity. The adsorption of carbon dioxide was found to significantly affect the Co 2 Te 3 monolayer electronic structure and its electrical conductivity, which is not observed in the case of acetone. This letter demons… Show more

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