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Investigate of lateral interactions between ammonia molecules adsorbed on a V3C2 MXenes sheet of DFT study and statistical physics

Stishenko, P. V. and Kayumova, T. R. 2019. Investigate of lateral interactions between ammonia molecules adsorbed on a V3C2 MXenes sheet of DFT study and statistical physics. Presented at: Oil and Gas Engineering (OGE-2019), 26–28 February 2019. Published in: Myshlyavtsev, Alexander V., Likholobov, Vladimir A. and Yusha, Vladimir L. eds. AIP Conference Proceedings. AIP, 10.1063/1.5122041

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Abstract

In this paper, we investigated the lateral interactions of ammonia molecules on the V3C2 surface using the methods of the density functional theory. The calculations were carried out using non-local functionals. We investigated the properties of the adsorption layer MXenes V3C2 methods of statistical physics. The adsorption isotherms were constructed using the SuSMoST program code. They made recalculation of adsorption isotherms from chemical potential to pressure.

Item Type: Conference or Workshop Item (Paper)
Date Type: Publication
Status: Published
Schools: Chemistry
Publisher: AIP
ISBN: 9780735418844
ISSN: 0094-243X
Last Modified: 24 Aug 2021 11:15
URI: https://orca.cardiff.ac.uk/id/eprint/143480

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