Affect of the graphene layers on the melting temperature of silicon by molecular dynamics simulations
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- 作者：Le Van Sang levansang82@gmail.com" class="auth_mail" title="E-mail the corresponding author
- 关键词：MD simulations ; The melting ; Silicon ; Graphene
- 刊名：Computational Materials Science
- 出版年：2016
- 出版时间：January 2016
- 年：2016
- 卷：111
- 期：Complete
- 页码：252-256
- 全文大小：3408 K
文摘
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Interaction of C–Si pairs has caused decreasing of the energy of the silicon part in the graphene/silicon/graphene (GSG) sandwiches.
C–Si interaction prevents the melting of the two silicon surfaces adjoining the graphene layers in the GSG sandwiches.
The melting temperature of the silicon part in the GSG sandwiches (Tm = 2450 K) is 1.6 times higher than that of the only silicon system (Tm,pure = 1540 K).