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Novel sp³ forms of carbon predicted by evolutionary metadynamics and analysis of their synthesizability using transition path sampling

Experiments on cold compression of graphite have indicated the existence of a new superhard and transparent allotrope of carbon. Numerous metastable candidate structures featuring different topologies have been proposed for “superhard graphite”, showing a good agreement with experimental X-ray data....

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Bibliographic Details
Main Authors: Boulfelfel, S.E., Zhu, Q., Oganov, A.R.
Format: Article
Language:English
Published: Інститут надтвердих матеріалів ім. В.М. Бакуля НАН України 2012
Series:Сверхтвердые материалы
Subjects:
Online Access:http://dspace.nbuv.gov.ua/handle/123456789/126007
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