Publication: STRUCTURE AND PROPERTIES OF A NEW CARBON ALLOTROPE BASED ON LADENBURG BENZENE
Дата
2021
Авторы
Kuandykov, R. R.
Journal Title
Journal ISSN
Volume Title
Издатель
Аннотация
© 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.]
Описание
Ключевые слова
Цитирование
Kuandykov, 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
URI
https://www.doi.org/10.1134/S002247662110005X
https://www.scopus.com/record/display.uri?eid=2-s2.0-85119131853&origin=resultslist
http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=Alerting&SrcApp=Alerting&DestApp=WOS_CPL&DestLinkType=FullRecord&UT=WOS:000719338400005
https://openrepository.mephi.ru/handle/123456789/25022
https://www.scopus.com/record/display.uri?eid=2-s2.0-85119131853&origin=resultslist
http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=Alerting&SrcApp=Alerting&DestApp=WOS_CPL&DestLinkType=FullRecord&UT=WOS:000719338400005
https://openrepository.mephi.ru/handle/123456789/25022