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

• Published in: Сверхтвердые материалы
• Date: 2012
• 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
• Subjects: Получение, структура, свойства
• Online Access: https://nasplib.isofts.kiev.ua/handle/123456789/126007
• Journal Title: Digital Library of Periodicals of National Academy of Sciences of Ukraine
• Cite this: Novel sp³ forms of carbon predicted by evolutionary metadynamics and analysis of their synthesizability using transition path sampling / S.E. Boulfelfel, Q. Zhu, A.R. Oganov // Сверхтвердые материалы. — 2012. — № 6. — С. 12-24. — Бібліогр.: 46 назв. — англ.

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....