| 缺陷对Pt在Graphene上吸附影响的研究 |
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| 引用本文： | 戴宪起,唐亚楠,赵建华.缺陷对Pt在Graphene上吸附影响的研究[J].原子与分子物理学报,2010,27(5):937-941. |
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| 作者姓名： | 戴宪起 唐亚楠 赵建华 |
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| 作者单位： | 河南师范大学物理与信息工程学院 河南省光伏材料重点实验室,河南师范大学物理与信息工程学院,河南师范大学物理与信息工程学院 |
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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： | 本文利用第一原理方法计算了空位缺陷和硼（B）掺杂时对Pt在graphene上吸附的影响.结果表明：Pt在graphene上吸附的稳定位置是Pt吸附在桥位；悬挂键的存在极大的增强了Pt在graphene空位处的吸附；B替位掺杂有利于Pt原子在杂质附近的吸附.
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| 关 键 词： | graphene 空位缺陷 第一性原理 B掺杂 |
| 修稿时间： | 2/9/2010 12:00:00 AM |
The studies for the effects of Pt on the defect Graphene |
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| DAI Xian-Qi,TANG Ya-Nan and ZHAO Jian-Hua.The studies for the effects of Pt on the defect Graphene[J].Journal of Atomic and Molecular Physics,2010,27(5):937-941. |
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| Authors: | DAI Xian-Qi TANG Ya-Nan and ZHAO Jian-Hua |
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| Abstract: | In this paper, we have been studied Pt adsorption on graphene with the effects of vacancy and impurity by employing the first-principles calculations method. The calculations show that: the bridge site is the most stable position of Pt atom adsorbed on graphene. The dangling bonds of vacancy in graphene enhance the interaction between Pt atom and substrate. Substituted B atom improves the adsorption of Pt atom adsorbed on vicinity of it. |
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| Keywords: | graphene defect First-principles B-doped |
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