TY - JOUR
T1 - Adatom doping-enriched geometric and electronic properties of pristine graphene
T2 - a method to modify the band gap
AU - Thuy Tran, Ngoc Thanh
AU - Dahal, Dipendra
AU - Gumbs, Godfrey
AU - Lin, Ming Fa
N1 - Publisher Copyright:
© 2017, Springer Science+Business Media New York.
PY - 2017/10/1
Y1 - 2017/10/1
N2 - 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.
AB - 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.
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U2 - 10.1007/s11224-017-0981-4
DO - 10.1007/s11224-017-0981-4
M3 - Article
AN - SCOPUS:85020179382
SN - 1040-0400
VL - 28
SP - 1311
EP - 1318
JO - Structural Chemistry
JF - Structural Chemistry
IS - 5
ER -