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Effect of a Nitrogen Doping and a Mechanical Stress on the Adsorption Capacity of Graphdiene

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dc.contributor.authorPrudkovskii, V. S.
dc.contributor.authorDolinskii, I. Y.
dc.contributor.authorGrishakov, K. S.
dc.contributor.authorГришаков, Константин Сергеевич
dc.date.accessioned2024-11-21T08:08:54Z
dc.date.available2024-11-21T08:08:54Z
dc.date.issued2019
dc.description.abstract© 2019, Pleiades Publishing, Ltd. Abstract: The quantum chemical simulation of adsorption of atomic hydrogen on pristine and nitrogen-doped graphdienes has been performed. The preferential sites, adsorption on which is most energetically beneficial, are indicated. The nitrogen presence is shown to substantially increase the adsorption capacity of the sheet. A capacity of the nitrogen-doped graphdiene to be reversibly stretched by 4% under action of external mechanical stress is demonstrated. A mechanical stretching is found to enable the control of the adsorption properties of pristine and also doped graphdienes.
dc.format.extentС. 274-278
dc.identifier.citationPrudkovskii, V. S. Effect of a Nitrogen Doping and a Mechanical Stress on the Adsorption Capacity of Graphdiene / Prudkovskii, V.S., Dolinskii, I.Y., Grishakov, K.S. // Physics of the Solid State. - 2019. - 61. - № 2. - P. 274-278. - 10.1134/S1063783419020100
dc.identifier.doi10.1134/S1063783419020100
dc.identifier.urihttps://www.doi.org/10.1134/S1063783419020100
dc.identifier.urihttps://www.scopus.com/record/display.uri?eid=2-s2.0-85064909373&origin=resultslist
dc.identifier.urihttp://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=Alerting&SrcApp=Alerting&DestApp=WOS_CPL&DestLinkType=FullRecord&UT=WOS:000468539600030
dc.identifier.urihttps://openrepository.mephi.ru/handle/123456789/17871
dc.relation.ispartofPhysics of the Solid State
dc.titleEffect of a Nitrogen Doping and a Mechanical Stress on the Adsorption Capacity of Graphdiene
dc.typeArticle
dspace.entity.typePublication
oaire.citation.issue2
oaire.citation.volume61
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