Structural and electronic properties of MnO3(4) superhalogen clusters embedded in graphene
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- 作者：Dan Li ; lidanyt@163.com" class="auth_mail ; danli@bjtu.edu.cn" class="auth_mail ; Chunlei Wang ; Yuan Niu ; Hongmin Zhao ; Chunjun Liang
- 刊名：Chemical Physics Letters
- 出版年：9 May 2014
- 年：2014
- 卷：601
- 期：Complete
- 页码：16-20
- 全文大小：1596 K
文摘
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The MnO3(4) superhalogen clusters embedded in graphene were investigated.
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The formation energies for neutral cluster embedded in graphene were all negative.
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MnO3(4) clusters were embedded more easily in graphene than the Mn atoms.
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The direction of the charge transfer was always from graphene to MnO3(4) cluster.