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Дослiдження адсорбцiї молекули вуглекислого газу на графенi методом функцiонала щiльностi

The physisorption of a CO2 molecule on a graphene sheet using ab initio density functional theory is investigated. The geometrical structure of graphene, including various parameters viz. the bond lengths and bond angles are calculated for a graphene sheet under the adsorption of a CO2 gas. Addition...

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Bibliographic Details
Date:2018
Main Authors: Thakur, D. P., Barde, N. P., Bardapurkar, P. P., Khairnar, R. S.
Format: Article
Language:English
Published: Publishing house "Academperiodika" 2018
Online Access:https://ujp.bitp.kiev.ua/index.php/ujp/article/view/2018358
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Journal Title:Ukrainian Journal of Physics

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Ukrainian Journal of Physics

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