多孔纳米碳的电子结构
Electronic Structures of Porous Nanocarbons
摘要：
我们使用大规模从头计算来描述石墨烯、石墨烯纳米带和周期性穿孔纳米孔的碳纳米管的电子结构。我们揭示了这些系统的共同特征，并开发了一个统一的图片，使我们能够分析预测和系统地表征纳米碳与不同大小和类型的纳米孔的超晶格中的金属-半导体转变。这些具有高度可调能带结构的新型材料在电子学、光探测和分子传感等领域有着广泛的应用前景。
英文摘要：
We use large scale ab-initio calculations to describe electronic structures of graphene, graphene nanoribbons, and carbon nanotubes periodically perforated with nanopores. We disclose common features of these systems and develop a unified picture that permits us to analytically predict and systematically characterize metal-semiconductor transitions in nanocarbons with superlattices of nanopores of different sizes and types. These novel materials with highly tunable band structures have numerous potential applications in electronics, light detection, and molecular sensing.
机构、总结、中文摘要均由AI分析而来，可能存在错误，请以论文正文为准。
