Wavy carbon: A new series of carbon structures explored by quantum chemical calculations

作者: Koichi Ohno , Hiroko Satoh , Takeaki Iwamoto , Hiroaki Tokoyama , Hideo Yamakado

DOI: 10.1016/J.CPLETT.2015.09.026

关键词:

摘要: A new carbon family adopting wavy structures has been found by quantum chemical calculations. The key motif of this is a condensed four-membered ring. Periodically wavy-carbon sheets (wavy-Cn sheets, n = 2, 6, and 8) as well wavy-C36 tube were to be very similar the previously reported prism-Cn tubes (n 5, in several respects, including relative energies per one atom with respect graphene, CC bond lengths, CCC angles. Because high graphene (206–253 kJ mol−1), wavy-carbons may behave energy reserving materials.

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