Publication: Stabilization of porous borophene-graphene vertical heterostructure using unilateral hydrogenation
Дата
2022
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Аннотация
Unilateral surface passivation by hydrogen atoms is considered as an effective way to stabilize the borophene-graphene with periodic perforation. In the absence of hydrogen, a transition from porous graphene to graphenylene is observed. In the passivation by atomic hydrogen (H-passivated) porous borophene-graphene, the covalent and van der Waals forces are continuing their efforts between boron and carbon layers. The stability is confirmed by ab initio calculations of the cohesive energy and phonon spectrum. Using two calculation schemes, it is shown the semiconductor nature of the electronic properties, mainly due to boron sites. The elastic response is much weaker than that of borophene-graphene, but the out-of-plane piezoelectric effect is stronger. The optical properties are of particular interest mainly due to the absorption peak values in the optical range. © 2022 Elsevier Ltd
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Stabilization of porous borophene-graphene vertical heterostructure using unilateral hydrogenation / Kochaev, A. [et al.] // Materials Today Nano. - 2022. - 20. - 10.1016/j.mtnano.2022.100247
URI
https://www.doi.org/10.1016/j.mtnano.2022.100247
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https://www.scopus.com/record/display.uri?eid=2-s2.0-85136206762&origin=resultslist
http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=Alerting&SrcApp=Alerting&DestApp=WOS_CPL&DestLinkType=FullRecord&UT=WOS:000848625600001
https://openrepository.mephi.ru/handle/123456789/28175