Electronic States at the Zigzag Edges of Graphene Terraces

Maha H. Alattas, Udo Schwingenschlögl

Research output: Contribution to journalArticlepeer-review


Density functional theory is used to study the electronic states at the zigzag edges of graphene terraces, considering bare edges and H, F, Cl, NH2 terminations. In contrast to the H and F terminations, periodic structural reconstructions are observed for the Cl and NH2 terminations due to interaction between the terminating atoms/groups. It is shown that the Cl termination of the edges leads to p-doping of the terraces, whereas NH2 termination results in n-doping.
Original languageEnglish (US)
Pages (from-to)1900513
JournalPhysica Status Solidi - Rapid Research Letters
Issue number12
StatePublished - Jan 1 2019

Bibliographical note

KAUST Repository Item: Exported on 2020-10-01
Acknowledgements: Fruitful discussions with A. Oranskaia and H. Vovusha are gratefully acknowledged. The research reported in this publication was supported by funding from King Abdullah University of Science and Technology(KAUST). For computer time, this research used the resources of the Supercomputing Laboratory at KAUST.


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