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OALib Journal期刊
ISSN: 2333-9721
费用：99美元
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用团簇法计算单层纳米碳管的电子结构
Keywords: 团簇法,单层纳米碳管,电子结构,边界条件
Abstract:
？用分子团簇法计算了三种边界条件下单层纳米碳管的电子结构.依靠得到的态密度、能级、分子轨道和结合能,对合成纳米尺度器件时可能出现的结果进行了预测.
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