电邮这篇文章 Various Stone–Wales defects in phagraphene
- 作者: Openov L.A.1, Podlivaev A.I.1,2
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隶属关系:
- National Research Nuclear University “MEPhI,”
- Research Institute for the Development of Scientific and Educational Potential of Youth
- 期: 卷 58, 编号 8 (2016)
- 页面: 1705-1710
- 栏目: Graphenes
- URL: https://ogarev-online.ru/1063-7834/article/view/198530
- DOI: https://doi.org/10.1134/S1063783416080229
- ID: 198530
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详细
Various Stone–Wales defects in phagraphene, which is a graphene allotrope, predicted recently are studied in terms of the nonorthogonal tight-binding model. The energies of the defect formation and the heights of energy barriers preventing the formation and annealing of the defects are found. Corresponding frequency factors in the Arrhenius formula are calculated. The evolution of the defect structure is studied in the real-time mode using the molecular dynamics method.
作者简介
L. Openov
National Research Nuclear University “MEPhI,”
编辑信件的主要联系方式.
Email: LAOpenov@mephi.ru
俄罗斯联邦, Kashirskoe sh. 31, Moscow, 115409
A. Podlivaev
National Research Nuclear University “MEPhI,”; Research Institute for the Development of Scientific and Educational Potential of Youth
Email: LAOpenov@mephi.ru
俄罗斯联邦, Kashirskoe sh. 31, Moscow, 115409; ul. Aviatorov 14/55, Moscow, 119620
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