First principles calculations of interaction between an armchair-edge graphene nanoribbon and its graphite substrate | Zendy

Dongqi Yu | Zendy; Zhaohui Zhang | Zendy

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First principles calculations of interaction between an armchair-edge graphene nanoribbon and its graphite substrate

Author(s) -

Dongqi Yu,

Zhaohui Zhang

Publication year - 2011

Publication title -

acta physica sinica

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 0.199

H-Index - 47

ISSN - 1000-3290

DOI - 10.7498/aps.60.036104

Subject(s) - graphene , materials science , graphite , graphene nanoribbons , enhanced data rates for gsm evolution , condensed matter physics , density functional theory , band gap , substrate (aquarium) , deformation (meteorology) , electronic band structure , nanotechnology , composite material , optoelectronics , physics , quantum mechanics , telecommunications , oceanography , geology , computer science

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.

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