Quantum-chemical calculation of the adsorption energy of the Pb atom on the graphene

dc.contributor.author	Mamatova A.
dc.contributor.author	Glebov A.
dc.contributor.author	Sadykova O.
dc.date.accessioned	2019-01-22T20:35:16Z
dc.date.available	2019-01-22T20:35:16Z
dc.date.issued	2018
dc.identifier.issn	0094-243X
dc.identifier.uri	https://dspace.kpfu.ru/xmlui/handle/net/147839
dc.description.abstract	© 2018 Author(s). Graphene can be used as sensors to detect toxic heavy metals in peripheral blood. This requires a clear understanding of adsorption process on the graphene surface. The DFT-functional method is used to calculate adsorption energy. In the article we present the calculation results and analyse interaction of Pb atom with graphene surface. It is shown that the Pb atom in B-site position on a graphene plane has a minimum of energy.
dc.relation.ispartofseries	AIP Conference Proceedings
dc.title	Quantum-chemical calculation of the adsorption energy of the Pb atom on the graphene
dc.type	Conference Paper
dc.relation.ispartofseries-volume	2041
dc.collection	Публикации сотрудников КФУ
dc.source.id	SCOPUS0094243X-2018-2041-SID85057296679

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Публикации сотрудников КФУ Scopus [24551]
Коллекция содержит публикации сотрудников Казанского федерального (до 2010 года Казанского государственного) университета, проиндексированные в БД Scopus, начиная с 1970г.