Geometric, electronic, magnetic and catalytic properties of carbon deposited on metal embedded graphene
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- 作者：Yanan Tanga ; b ; 1 ; yntang2010@163.com" class="auth_mail" title="E-mail the corresponding author ; Weiguang Chena ; 1 ; Zhiyong Liub ; 021168@htu.cn" class="auth_mail" title="E-mail the corresponding author ; Xiaolong Wangb ; Shanshan Changb ; Xianqi Daia ; b ; xqdaizs@163.com" class="auth_mail" title="E-mail the corresponding author
- 关键词：First-principles calculations ; Metal modified-graphene ; Electronic structure ; Magnetic property ; Conversion reaction
- 刊名：Computational Materials Science
- 出版年：2017
- 出版时间：January 2017
- 年：2017
- 卷：126
- 期：Complete
- 页码：74-81
- 全文大小：2009 K
文摘
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Electronic and magnetic properties of M-graphene can be regulated by adsorbed C atom.
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The deposited C atoms have different diffusion barriers on the M-graphene surfaces.
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The adsorbed O2 is easily to dissociate on Ni-graphene under the presence of C atom.