Naphthylenes: 1D and 2D carbon allotropes based on naphthyl units

Carbon(2019)

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摘要
We propose two kinds of 2D carbon allotropes with a naphthyl-like group used as structural unit. We name them naphthylenes of the α, and β kinds, and study their atomic and electronic structure using density functional theory. We also investigate a set of nanoribbons cut out of naphthylenes. We show that these systems are usually metallic, with frontier states spread inside the structure, rather than at their edges. This results in a type of nanomaterials featuring controlled properties that can be tuned for targeted applications in nanoelectronics.
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