Structural and Electronic Properties of Graphdiyne Carbon Nanotubes from Large-Scale DFT Calculations
نویسندگان
چکیده
منابع مشابه
investigation of the electronic properties of carbon and iii-v nanotubes
boron nitride semiconducting zigzag swcnt, $b_{cb}$$n_{cn}$$c_{1-cb-cn}$, as a potential candidate for making nanoelectronic devices was examined. in contrast to the previous dft calculations, wherein just one boron and nitrogen doping configuration have been considered, here for the average over all possible configurations, density of states (dos) was calculated in terms of boron and nitrogen ...
15 صفحه اولStructural and electronic properties of bilayer and trilayer graphdiyne.
Stimulated by the recent experimental synthesis of a new layered carbon allotrope-graphdiyne film, we provide the first systematic ab initio investigation of the structural and electronic properties of bilayer and trilayer graphdiyne and explore the possibility of tuning the energy gap via a homogeneous perpendicular electric field. Our results show that the most stable bilayer and trilayer gra...
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ژورنال
عنوان ژورنال: The Journal of Physical Chemistry C
سال: 2016
ISSN: 1932-7447,1932-7455
DOI: 10.1021/acs.jpcc.6b05265