نتایج جستجو برای: b3c2n3 nanotube
تعداد نتایج: 16651 فیلتر نتایج به سال:
the structure and the electronic properties of single-walled zigzag bn and b3c2n3 nanotubes (n, 0; n=4–10) were investigated using first-principles calculations based on a density functional theory. a plane–wave basis set with periodic boundary conditions in conjunction with vanderbilt ultrasoft pseudo-potential was employed. the energy gap of zb3c2n3nts was calculated and compared with the cor...
در این پایان نامه خواص و جنبه های مختلف کربن معرفی و مروری کلی بر روشهای ساخت ، ساختار و خواص انواع مختلف کربن از کربنهای bulk(شامل گرافیت ، گرافیت turbostratic، الیاف کربن، دوده هاو ... ) تا کربنهای نانومقیاس (شامل fullerenes ، کپسولهای نانومقیاس ، کربنهای nanotube و ... ) ارائه می شود. عمده کار متوجه کربنهای nanotube(اعم از multi-wall و single-wall ) است و ساختار ، عیوب شبکه ای و روشهای ساخت ...
electrical sensitivity of a boron nitride nanotube (bnnt) was examined toward c2h5oh molecules by using density functional theory (dft) calculations . it was founding that the adsorption energy(ead) of ethanol on the pristine nanotubes is about -51.5 kj / mol, but when the nanotube has been doped with si and al atoms , the adsorption and recovery time changed and the sensitivity of nano...
Introduction We have previously reported downsizing ancient twistbased spinning technology for making continuous, densified nanotube yarns from multi-walled carbon nanotube (MWNT) forests [1]. Such nanotube yarns provide unique properties and property combinations. Despite this important progress, the relationship between nanotube yarn properties and component carbon nanotube properties is not ...
electrical sensitivity of a boron nitride nanotube (bnnt) was examined toward (c3h4) molecule by using density functional theory (dft) calculations at the b3lyp/6-31g (d) level, and it was found that the adsorption energy (ead) of methylacetylene (c3h4) the pristine nanotubes is a bout -1.78kcal/mol. but when nanotube have been doped with si and al atomes, the adsorption energy of methylacetyle...
electrical sensitivity of a boron nitride nanotube (bnnt) was examined toward hydroquinone (c6h4(oh)2) molecule by using density functional theory (dft) calculations at the b3lyp/6-31g(d) level, and it was found that the adsorption energy (ead) of hydroquinone on the pristine nanotube is a bout -7.77kcal/mol. but when nanotubes have been doped with si and al atomes, the adsorption energy of hy...
abstract: electrical sensitivity of a boron nitride nanotube (bnnt) was examined toward ethyl acetylene (c4h6) molecule by using density functional theory (dft) calculations at the b3lyp/6-31g (d) level, and it was found that the adsorption energy (ead) of ethyl acetylene the pristine nanotubes is about -1.60kcal/mol. but when nanotube has been doped with si and al atoms, the adsorption energy ...
This article examines the effect of interfacial load transfer on the stress distribution in carbon nanotube/polymer composites through a stress analysis of the nanotube/matrix system. Both isostrain and isostress loading conditions are investigated. The nanotube is modeled by the molecular structural mechanics method at the atomistic level. The matrix is modeled by the finite element method, an...
The structure and the electronic properties of single-walled zigzag BN and B3C2N3 nanotubes (n, 0; n=4–10) were investigated using first-principles calculations based on a density functional theory. A plane–wave basis set with periodic boundary conditions in conjunction with Vanderbilt ultrasoft pseudo-potential was employed. The energy gap of ZB3C<su...
to investigate the interaction and adsorption of drug and carbon nanotube on human serum albumin, three anti-cancer drugs ([pd(phen)(r-gly)]no3, r = methyl, propyl and amyl) with different hydrophobic tails and anticancer activities were selected. these drugs have better anti-tumor activity and less side effects than that known cis-platinum drug. human serum albumin is also important for drug d...
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