First‐principle study of electronic structures of multi‐layer graphenes

作者：M. M. Li, Jiawan Zhang, Fushun Li, Fangchen Zhu, Manyi ZHANG, Xinbo Zhao · 发表于：Physica status solidi. C, Conferences and critical reviews/Physica status solidi. C, Current topics in solid state physics · 年份：2009 · DOI：10.1002/pssc.200881365 · 被引用次数：10 · 研究领域：Graphene research and applications、Chemical and Physical Properties of Materials、Surface and Thin Film Phenomena

Abstract Energetic evaluation of possible stacking structures of monolayer, bi‐layer and tri‐layer graphene crystals has been performed using the density‐functional theory under the local density approximation AA stacking of carbon hexagonal monolayer and graphite with AB stacking was also discussed for the reference. It was shown that multi‐layer graphenes are direct band‐gap semiconductors, and the width of their band gaps of graphene crystals can be adjusted by changing the number of graphene layers. The property of band structures of multi‐layer graphenes suggests the potential application for solar cells. (© 2009 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)