Size Dependence in the Stabilities and Electronic Properties of α-Graphyne and Its Boron Nitride Analogue
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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 اولthe survey of the virtual higher education in iran and the ways of its development and improvement
این پژوهش با هدف "بررسی وضعیت موجود آموزش عالی مجازی در ایران و راههای توسعه و ارتقای آن " و با روش توصیفی-تحلیلی و پیمایشی صورت پذیرفته است. بررسی اسنادو مدارک موجود در زمینه آموزش مجازی نشان داد تعداد دانشجویان و مقاطع تحصیلی و رشته محل های دوره های الکترونیکی چندان مطلوب نبوده و از نظر کیفی نیز وضعیت شاخص خدمات آموزشی اساتید و وضعیت شبکه اینترنت در محیط آموزش مجازی نامطلوب است.
Theoretical comparison of thermodynamic parameters, NMR analysis, electronic properties of Boron Nitride and Aluminum Nitride nanotubes
In this research, geometrical structures of armchair single walled boron nitride nanotube (SWBNNT) and armchair single walled aluminum nitride nanotube (SWAlNNT) were optimized by Density Functional Theory (DFT) in the gas phase, both having the same length of 5 angstrom and n=9, m=9. B3LYP/6-31G* level of theory have been used to determine and compare electronic properties, n...
متن کاملTheoretical comparison of thermodynamic parameters, NMR analysis, electronic properties of Boron Nitride and Aluminum Nitride nanotubes
In this research, geometrical structures of armchair single walled boron nitride nanotube (SWBNNT) and armchair single walled aluminum nitride nanotube (SWAlNNT) were optimized by Density Functional Theory (DFT) in the gas phase, both having the same length of 5 angstrom and n=9, m=9. B3LYP/6-31G* level of theory have been used to determine and compare electronic properties, n...
متن کاملElectronic and Optical Properties of the Graphene and Boron Nitride Nanoribbons in Presence of the Electric Field
Abstract: In this study, using density functional theory and the SIESTA computationalcode, we investigate the electronic and optical properties of the armchair graphenenanoribbons and the armchair boron nitride nanoribbons of width 25 in the presence of atransverse external electric field. We have observed that in the absence of the electricfield, these structures are se...
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ژورنال
عنوان ژورنال: The Journal of Physical Chemistry C
سال: 2013
ISSN: 1932-7447,1932-7455
DOI: 10.1021/jp3111869