Study on the Energy Band Regulation of the H-BN Doped Graphene Nanoribbons Based on First Principles

In the present paper, several programs of graphene nanoribbons band gap engineering are simulated and calculated based on the first principles which will be helpful in the experimental progress of graphene energy band regulation. Secondly, we doped hexagonal boron nitride (h-BN) into graphene nanori...

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Bibliographic Details
Main Authors: Yunpei Wu, Yongjin Hu
Format: Article
Language:English
Published: AIDIC Servizi S.r.l. 2017-07-01
Series:Chemical Engineering Transactions
Online Access:https://www.cetjournal.it/index.php/cet/article/view/1121