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STRUCTURE AND PROPERTIES OF A NEW CARBON ALLOTROPE BASED ON LADENBURG BENZENE

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dc.contributor.authorKuandykov, R. R.
dc.date.accessioned2024-11-29T23:45:39Z
dc.date.available2024-11-29T23:45:39Z
dc.date.issued2021
dc.description.abstract© 2021, Pleiades Publishing, Ltd.Abstract: Thermal stability of a recently proposed carbon allotrope based on Ladenburg benzene, superprismane, is studied by the molecular dynamics method. It is shown that the superprismane structure destroys at 500 K and its lattice transforms from the hexagonal one to the tetragonal one. The resulting crystal with a tetragonal lattice possesses high strength and is stable up to 1000 K. It has channels with a diameter of ~1 nm allowing for the diffusion of small molecules along certain crystallographic directions. It is shown that the penetration of hydrogen, nitrogen, water, and carbon monoxide molecules into the channel is accompanied by energy release, i.e. the molecules are “pulled” inside the channel. [Figure not available: see fulltext.]
dc.format.extentС. 1516-1521
dc.identifier.citationKuandykov, R. R. STRUCTURE AND PROPERTIES OF A NEW CARBON ALLOTROPE BASED ON LADENBURG BENZENE / Kuandykov, R.R. // Journal of Structural Chemistry. - 2021. - 62. - № 10. - P. 1516-1521. - 10.1134/S002247662110005X
dc.identifier.doi10.1134/S002247662110005X
dc.identifier.urihttps://www.doi.org/10.1134/S002247662110005X
dc.identifier.urihttps://www.scopus.com/record/display.uri?eid=2-s2.0-85119131853&origin=resultslist
dc.identifier.urihttp://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=Alerting&SrcApp=Alerting&DestApp=WOS_CPL&DestLinkType=FullRecord&UT=WOS:000719338400005
dc.identifier.urihttps://openrepository.mephi.ru/handle/123456789/25022
dc.relation.ispartofJournal of Structural Chemistry
dc.titleSTRUCTURE AND PROPERTIES OF A NEW CARBON ALLOTROPE BASED ON LADENBURG BENZENE
dc.typeArticle
dspace.entity.typePublication
oaire.citation.issue10
oaire.citation.volume62
relation.isOrgUnitOfPublication06e1796d-4f55-4057-8d7e-bb2f3b5676f5
relation.isOrgUnitOfPublication.latestForDiscovery06e1796d-4f55-4057-8d7e-bb2f3b5676f5
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