DocumentCode
522852
Title
Electronic Properties of Pristine and Boron-doped Triangular Graphene
Author
Liqin, Wang ; Liguang, Wang
Author_Institution
Sch. of Sci., Jiangnan Univ., Wuxi, China
Volume
2
fYear
2010
fDate
4-6 June 2010
Firstpage
262
Lastpage
265
Abstract
The electronic properties of pristine and B doped triangular graphene sheets have been investigated by using density functional theory calculations. After doping B atom, most of C-C bonds increase and also increase HOMO-LUMO energy gap. The effects of doping on the Milliken charges and molecular distribution have been studied as well.
Keywords
bonds (chemical); boron; density functional theory; doping; graphene; sheet materials; C:B; HOMO-LUMO energy gap; Milliken charges; boron-doped triangular graphene; carbon-carbon bond; density functional theory calculations; doping; electronic property; molecular distribution; pristine; Atomic layer deposition; Atomic measurements; Density functional theory; Doping; Electronic mail; Hydrogen; Orbital calculations; Organic materials; Semiconductor process modeling; Sheet materials; DFT; electronic properties; triangular graphene;
fLanguage
English
Publisher
ieee
Conference_Titel
Information and Computing (ICIC), 2010 Third International Conference on
Conference_Location
Wuxi
Print_ISBN
978-1-4244-7081-5
Electronic_ISBN
978-1-4244-7082-2
Type
conf
DOI
10.1109/ICIC.2010.161
Filename
5513854
Link To Document