摘要
采用第一性原理计算了zigzag型石墨烯纳米带的电学性质。计算结果表明:zigzag型石墨烯纳米带的能带结构与碳纳米带的宽度密切相关;掺杂Al原子的ZGNR显示半导体特性。计算结果能为石墨烯纳米带改性实验提供有效指导,有利于推动石墨烯纳米带在纳电子学方面的应用。
In this paper, we have studied the electronic property of zigzag graphene nanoribbons based on the first-principle. Our caculations show that the geometry and electric structure of ZGNRs are in close relation to width. Al atoms doped ZGNRs show semiconducting. Our calculations could provide effective guidance for GNR experiments, and promote the application of grapheme in nanoelectronics.
出处
《廊坊师范学院学报（自然科学版）》
2014年第4期53-55,共3页
Journal of Langfang Normal University(Natural Science Edition)
