Towards a better understanding of the geometrical and orientational aspects of the electronic structure of halogens (F-I) adsorption on graphene

Article ID	Journal	Published Year	Pages	File Type
5348935	Applied Surface Science	2015	21 Pages	PDF

Abstract

- Examines the orientation (zigzag, armchair) effects of F/Cl/Br/I-adsorbed graphene.
- F cases are site-dependent, while Cl/Br/I cases have minimal orientation dependence.
- F is adsorbed to graphene at about three times stronger than Cl/Br/I.
- To prompt re-examination of elemental-graphene systems to account for orientation.

Keywords

Orientation electronic structure Density functional theory (DFT)Graphene

Related Topics

Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry

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Towards a better understanding of the geometrical and orientational aspects of the electronic structure of halogens (F-I) adsorption on graphene

Authors

Hantarto Widjaja, Zhong-Tao Jiang, Mohammednoor Altarawneh, Chun-Yang Yin, Bee-Min Goh, Nicholas Mondinos, Bogdan Z. Dlugogorski,