氮原子吸附锯齿型石墨烯纳米带第一原理研究
Journal Title: Science Paper Online - Year 2009, Vol 4, Issue 4
Abstract
利用基于密度泛函理论的第一原理，对在锯齿型石墨烯纳米带上吸附氮原子的体系进行了详细计算。结果表明氮原子易吸附在纳米带的边缘。同时，计算还表明氮原子吸附对锯齿型石墨烯纳米带的电子结构影响很大。当氮原子吸附在纳米带的边缘时，纳米带费米面附近的电子态密度增加，说明纳米带的导电性将得到增强。这说明通过掺杂的方式制备具有新颖的物理和器件特性的一维纳米结构是可能的。
Authors and Affiliations
Shansheng Yu , Weitao Zheng
Keywords
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