Aminated Graphene Nanomesh: Theoretical and Experimental Insights into Process of Decorating, Topology and Electron Properties

Autor:	Olga E. Glukhova, Maxim K. Rabchinskii, Svyatoslav D. Saveliev, Demid A. Kirilenko, Pavel V. Barkov
Jazyk:	angličtina
Rok vydání:	2022
Předmět:	Ceramics and Composites graphene graphene nanomesh aminated graphene nanomesh amino groups functionalization in silico Engineering (miscellaneous)
Zdroj:	Journal of Composites Science; Volume 6; Issue 11; Pages: 335
ISSN:	2504-477X
DOI:	10.3390/jcs6110335
Popis:	The physicochemical nature of the amino group NH2’s landing on the basal plane of the graphene and on the edge atoms of the graphene nanomesh was revealed. The mechanism of covalent binding between the NH2 groups and the carbon atoms of the graphene and the GNM was discovered in silico by the SCC DFTB method. The maximum amount ratio of the amino groups to carbon atoms equaled 4.8% for GNM and 4.6% for the basal plane. The established values of the concentration and the trend of change in the work function of electrons are experimentally confirmed.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_dedup___::5ef92fe09dd01912df77b2211e5458f2 Zobrazit plný text záznamu