Adatom doping-enriched geometric and electronic properties of pristine graphene: a method to modify the band gap

Ngoc Thanh Thuy Tran, Dipendra Dahal, Godfrey Gumbs, Ming Fa Lin

研究成果: Article

2 引文 斯高帕斯(Scopus)

摘要

We have investigated the way in which the concentration and distribution of adatoms affect the geometric and electronic properties of graphene. Our calculations were based on the use of first principle under the density functional theory which reveal various types of π-bonding. The energy band structure of this doped graphene material may be explored experimentally by employing angle-resolved photo-emission spectroscopy (ARPES) for electronic band structure measurements and scanning tunneling spectroscopy (STS) for the density-of-states (DOS) both of which have been calculated and reported in this paper. Our calculations show that such adatom doping is responsible for the destruction or appearance of the Dirac-cone structure.

原文English
頁(從 - 到)1311-1318
頁數8
期刊Structural Chemistry
28
發行號5
DOIs
出版狀態Published - 2017 十月 1

All Science Journal Classification (ASJC) codes

  • Condensed Matter Physics
  • Physical and Theoretical Chemistry

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