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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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Main Authors: | , , |
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Format: | Article |
Language: | English |
Published: |
Інститут надтвердих матеріалів ім. В.М. Бакуля НАН України
2012
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Series: | Сверхтвердые материалы |
Subjects: | |
Online Access: | http://dspace.nbuv.gov.ua/handle/123456789/126007 |
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