Edge effects in finite elongated graphene nanoribbons

摘要: We analyze the relevance of finite-size effects to electronic structure long graphene nanoribbons using a divide and conquer density functional approach. find that for hydrogen terminated nanoribbons, most physical features appearing in states an infinite nanoribbon are recovered at length $40\phantom{\rule{0.3em}{0ex}}\mathrm{nm}$. Nevertheless, even longest systems considered ($72\phantom{\rule{0.3em}{0ex}}\mathrm{nm}$ long) pronounced edge appear vicinity Fermi energy. The weight these scales inversely with ribbon, they expected become negligible only ribbon lengths order micrometers. Our results indicate careful consideration should be applied when designing new nanoelectronic devices based on nanoribbons. These conclusions hold other one-dimensional such as carbon nanotubes, conducting polymers, DNA molecules.