Band gap engineering of graphene through quantum confinement and edge distortions

Abstract:

Based on the density functional theory approach we explore the chances endured by energy gap (EG) of semiconducting (armchair) graphene nanoribbons (AGNRs) when Stone-Wales (SW) defects are placed inside their lattices. Our results show that the AGNRs, which belong to the 3 m + 2 family experience an increase in their EG value. On the other hand, those belonging to 3m and 3 m + 1 families experience decrease in their EG. The maximum observed EG for pristine and distorted ribbons were ∼ 2.6 and ∼ 1.6 eV, respectively. Our results can be useful to understand the semiconducting properties of wider graphene nanoribbons which are already available experimentally.

Año de publicación:

2016

Keywords:

• Nanoribbons
• Graphene
• density functional theory

Fuente:

rraae

scopus

google