| C60与石墨烯复合材料性能的理论研究 |
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| 引用本文： | 易佳,王昭,毛峰,黄祥平,魏慧丽,张昌远. C60与石墨烯复合材料性能的理论研究[J]. 三峡大学学报(自然科学版), 2010, 32(3): 110-112 |
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| 作者姓名： | 易佳 王昭 毛峰 黄祥平 魏慧丽 张昌远 |
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| 作者单位： | 三峡大学,理学院,湖北,宜昌,443002 |
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| 基金项目： | 湖北省教育厅自然科学重大项目 |
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| 摘 要： | 采用基于密度泛函理论的第一性原理,计算了C60与石墨烯两种可能的复合材料的电子结构,分析了复合材料的能带结构、电子态密度和Hirshefeld电荷转移.计算结果显示,复合材料表现出导体性质.
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| 关 键 词： | 胺酸肽酯 C60与石墨烯复合材料 第一性原理 |
Theoretical Study of C60/ Graphene Hybrid Material |
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| Yi Jia,Wang Zhao,Mao Feng,Huang Xiangping,Wei Huili,Zhang Changyuan. Theoretical Study of C60/ Graphene Hybrid Material[J]. Journal of China Three Gorges University(Natural Sciences), 2010, 32(3): 110-112 |
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| Authors: | Yi Jia Wang Zhao Mao Feng Huang Xiangping Wei Huili Zhang Changyuan |
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| Affiliation: | Yi Jia Wang Zhao Mao Feng Huang Xiangping Wei Huili Zhang Changyuan(College of Science,China Three Gorges Univ.,Yichang 443002,China) |
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| Abstract: | The electronic structures of two kinds of C60/ graphene hybrid materials were calculated using first principle method based on the density functional theory.And the structure change,band structure,density of states and the Hirshefeld charge transfer were analyzed.It was found that the C60/ graphene hybrid materials are metal. |
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| Keywords: | amine acid peptide esters C60/graphene hybrid materials first principle |
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