| Al,Si,P掺杂对Ge在石墨烯上吸附的影响 |
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| 引用本文： | 李艳慧,刘中山,赵建华,赵宝,戴宪起.Al,Si,P掺杂对Ge在石墨烯上吸附的影响[J].河南师范大学学报(自然科学版),2011,39(5):51-54. |
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| 作者姓名： | 李艳慧 刘中山 赵建华 赵宝 戴宪起 |
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| 作者单位： | 1. 河南师范大学物理与信息工程学院,河南新乡,453007
2. 河南师范大学物理与信息工程学院,河南新乡 453007;河南省光伏材料重点实验室,河南新乡 453007 |
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| 基金项目： | 国家自然科学基金(64076407); 河南省高校科技创新人才支持计划(2008HASTIT030) |
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| 摘 要： | 利用基于密度泛函理论的第一性原理计算方法研究了Al、Si和P掺杂对Ge在石墨烯上吸附的影响.Ge原子在完整石墨烯上吸附的最稳定位置为桥位,Ge的吸附改变了石墨烯中C原子的电子自旋性质；Al、Si和P掺杂石墨烯使衬底C原子发生了移动,且Si,P原子掺杂比Al掺杂石墨烯容易；杂质类型对Ge在石墨烯上的吸附位置有较大的影响,...
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| 关 键 词： | 石墨烯 Al掺杂 Si掺杂 P掺杂 吸附 第一性原理 |
Effects of Aluminium,Silicon,Phosphorus Doping on Ge Adsorption on Graphene |
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| LI Yan-hui,LIU Zhong-shan,ZHAO Jian-hua,ZHAO Bao,DAI Xian-qi.Effects of Aluminium,Silicon,Phosphorus Doping on Ge Adsorption on Graphene[J].Journal of Henan Normal University(Natural Science),2011,39(5):51-54. |
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| Authors: | LI Yan-hui LIU Zhong-shan ZHAO Jian-hua ZHAO Bao DAI Xian-qi |
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| Institution: | LI Yan-hui1,LIU Zhong-shan1,ZHAO Jian-hua1,ZHAO Bao1,DAI Xian-qi1,2(1.College of Physics and Information Engineering,Henan Normal University,Xinxiang 453007,China,2.Henan Key Laboratory of Photovoltaic Materials,China) |
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| Abstract: | First-principle calculations are carried out to study the effects of Al,Si and P doping on Ge adsorption on graphene.It is found that Ge single atom,sitting above the bridge site of defect-free graphene,is the most stable configuration.The spin properties of C atoms have changed after Ge adsorption.The C atoms have moved after Al,Si,P doping.By comparison,Si,P doping in the graphene system is more stable than the Al doping system.In the calculations,the type of impurities has changed the site of Ge adsorpti... |
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| Keywords: | graphene Al doping Si doping P doping adsorption Ge first-principle |
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