Covalent-bonded graphyne polymers with high hardness

• Published in: Сверхтвердые материалы
• Date: 2014
• Main Authors: Hu, M., He, J., Wang, Q., Huang, Q., Yu, D., Tian, Y., Xu, B.
• Format: Article
• Language: English
• Published: Інститут надтвердих матеріалів ім. В.М. Бакуля НАН України 2014
• Subjects: Получение, структура, свойства
• Online Access: https://nasplib.isofts.kiev.ua/handle/123456789/126120
• Journal Title: Digital Library of Periodicals of National Academy of Sciences of Ukraine
• Cite this: Covalent-bonded graphyne polymers with high hardness / M. Hu, J. He, Q. Wang, Q. Huang, D. Yu, Y. Tian, B. Xu // Сверхтвердые материалы. — 2014. — № 4. — С. 53-67. — Бібліогр.: 47 назв. — англ.

Eight covalent-bonded graphyne polymers have been proposed using the newly developed USPEX and CALYPSO methods based on the first principle calculations. These polymers are energetically more favorable than the corresponding graphyne under ambient pressure, and seven of them are more stable than ful...