Defeitos em nanofitas de Grafeno zigzag / Defects in zigzag graphene nanofibres

AUTOR(ES)
DATA DE PUBLICAÇÃO

2008

RESUMO

Graphene and graphene nanoribbons have been attracting a lot of interest from the scientific community because of their novel properties. In this work, a systematic research has been done on the stability and energetics of divacancy, vacancy and Stone-Wales defects in graphene and zigzag graphene nanoribbons. With this goal in mind, ab initio density functional calculations within the GGA approximation, using ultrasoft pseudopotentials and a plane wave basis were done. Also, STM images were simulated for some selected defects. Besides, two new defects, not published elsewhere (to the best knowledge of the author), with very low formation energy are reported.

ASSUNTO(S)

dft graphene nanofitas nanoribbons dft grafeno

ACESSO AO ARTIGO

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