TY - JOUR
T1 - Electronic States at the Zigzag Edges of Graphene Terraces
AU - Alattas, Maha H.
AU - Schwingenschlögl, Udo
N1 - 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.
PY - 2019/1/1
Y1 - 2019/1/1
N2 - 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.
AB - 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.
UR - http://hdl.handle.net/10754/660297
UR - https://onlinelibrary.wiley.com/doi/abs/10.1002/pssr.201900513
UR - http://www.scopus.com/inward/record.url?scp=85074384674&partnerID=8YFLogxK
U2 - 10.1002/pssr.201900513
DO - 10.1002/pssr.201900513
M3 - Article
SN - 1862-6254
VL - 13
SP - 1900513
JO - Physica Status Solidi - Rapid Research Letters
JF - Physica Status Solidi - Rapid Research Letters
IS - 12
ER -