物理学报2011，Vol.60Issue(3)：427-430,4.
带状碳单层与石墨基底之间相互作用的第一性原理计算
First principles calculations of interaction between an armchair-edge graphene nanoribbon and its graphite substrate
于冬琪 1张朝晖1
作者信息
- 1. 北京大学物理学院,人工微结构与介观物理国家重点实验室,北京100871
- 折叠
摘要
Abstract
Based on the density functional theory, first principles calculations have been performed to study interaction of armchair-edge graphene nanoribbons and their graphite substrates. As a result, it has been found that the interaction gives rise to deformation of the graphene nanoribbons and the graphite substrates, and the deformed graphene nanoribbons have the energy band structures with band gaps smaller than those of the isolatedones.关键词
带状碳单层/第一性原理计算/能带结构Key words
armchair-edge graphene nanoribbon/ first principles calculation/ energy band gap引用本文复制引用
于冬琪,张朝晖..带状碳单层与石墨基底之间相互作用的第一性原理计算[J].物理学报,2011,60(3):427-430,4.
