Investigate of Lateral Interactions between Ammonia Molecules Adsorbed on a V3C2 MXenes Sheet of DFT Study and Statistical Physics

被引：1

作者：

Stishenko, P. V. ^{[1
]}

Kayumova, T. R. ^{[1
]}

机构：

[1] Omsk State Tech Univ, 11 Mira Prospect, Omsk 644050, Russia

来源：

OIL AND GAS ENGINEERING (OGE-2019) | 2019年 / 2141卷

基金：

俄罗斯科学基金会;

关键词：

CARBIDE;

D O I：

10.1063/1.5122041

中图分类号：

TE [石油、天然气工业]; TK [能源与动力工程];

学科分类号：

0807 ; 0820 ;

摘要：

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.

引用

页数：8

共 4 条

[1] Qualitative DFT Study of Lateral Interactions between Nitrogen Molecules Adsorbed on a V3C2 MXene Sheet
Kayumova, T. R.
Stishenko, P. V.
OIL AND GAS ENGINEERING (OGE-2018), 2018, 2007
[2] LATERAL INTERACTIONS BETWEEN AMMONIA MOLECULES ADSORBED ON TITANIA (RUTILE) STUDIED BY H-2 NMR
BODDENBERG, B
NIEPMANN, R
MOLECULAR PHYSICS, 1993, 79 (02) : 405 - 412
[3] Long structures of H2O molecules adsorbed on the V2O5(001) surface. A DFT plus U study including van der Waals interactions
Ranea, Victor A.
CHEMICAL PHYSICS LETTERS, 2020, 749
[4] Rotational spectroscopy as a tool to investigate interactions between vibrational polyads in symmetric top molecules: Low-lying states v8 ≤ 2 of methyl cyanide, CH3CN
Mueller, Holger S. P.
Brown, Linda R.
Drouin, Brian J.
Pearson, John C.
Kleiner, Isabelle
Sams, Robert L.
Sung, Keeyoon
Ordu, Matthias H.
Lewen, Frank
JOURNAL OF MOLECULAR SPECTROSCOPY, 2015, 312 : 22 - 37

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