論文

査読有り
2015年10月

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

CHEMICAL PHYSICS LETTERS
  • Koichi Ohno
  • ,
  • Hiroko Satoh
  • ,
  • Takeaki Iwamoto
  • ,
  • Hiroaki Tokoyama
  • ,
  • Hideo Yamakado

639
開始ページ
178
終了ページ
182
記述言語
英語
掲載種別
研究論文(学術雑誌)
DOI
10.1016/j.cplett.2015.09.026
出版者・発行元
ELSEVIER SCIENCE BV

A new carbon family adopting wavy structures has been found by quantum chemical calculations. The key motif of this family is a condensed four-membered ring. Periodically wavy-carbon sheets (wavy-C, sheets, n = 2, 6, and 8) as well as wavy-C-36 tube were found to be very similar to the previously reported prism-C-n carbon tubes (n = 5, 6, and 8) in several respects, including the relative energies per one carbon atom with respect to graphene, CC bond lengths, and CCC bond angles. Because of very high relative energies with respect to graphene (206-253 kJ mol(-1)), the wavy-carbons may behave as energy reserving materials. (C) 2015 Elsevier B.V. All rights reserved.

リンク情報
DOI
https://doi.org/10.1016/j.cplett.2015.09.026
Web of Science
https://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=JSTA_CEL&SrcApp=J_Gate_JST&DestLinkType=FullRecord&KeyUT=WOS:000365814400034&DestApp=WOS_CPL
URL
http://www.sciencedirect.com/science/article/pii/S0009261415007137
ID情報
  • DOI : 10.1016/j.cplett.2015.09.026
  • ISSN : 0009-2614
  • eISSN : 1873-4448
  • Web of Science ID : WOS:000365814400034

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