期刊
PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES
卷 56, 期 -, 页码 64-68出版社
ELSEVIER SCIENCE BV
DOI: 10.1016/j.physe.2013.07.009
关键词
Graphene: electronic property; Density functional theory; Semiconductor
资金
- DST-FIST, Government of India
- DST-PURSE, Government of India
- Council of Scientific and Industrial Research (CSIR), Government of India
Present work reports the modifications of band structure and density of states of graphene nanosheet by substitutional co-doping of boron (B) and nitrogen (N) in the pristine graphene system. Using ab-initio density functional theory (DFT) we show that the doping position plays an important key role to determine the band-gap in the graphene system. Co-doping of B and N at different sub-lattice positions in the planar graphene structure results different modifications in the band structure and density of states (DOS). Particular choice of sub-lattice doping position of B and N yields a finite value of band gap. (C) 2013 Elsevier B.V. All rights reserved.
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