Effect of Si Adsorption on Graphene Doped with N, Al and P
Abstract: First-principles calculations based on density functional theory were carried out to study the effects of nitrogen, aluminum and phosphorus doping on Si adsorption on grapheme. We found that N doping is the n-type doping of grapheme and increases the conductivity of the grapheme system. Both N and P doping graphene system are relatively stable while Al doping graphene system is not. The effect is stronger for Si adsorption position on graphene for different types of impurity. Al and P atom enhance the Si adsorption on graphene, the effect of N doping is far less than the other two dopant do. No magnetic moment was observed in Si adsorbed on Al doping graphene while net magnetism was brought in Si adsorbed on N and P doping graphene.
文章引用: 胡功臣 , 李艳慧 , 徐庆强 , 柯三黄 (2011) N、Al、P替位掺杂对Si在石墨烯上吸附的影响。 应用物理， 1， 87-91. doi: 10.12677/app.2011.13014
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