نتایج جستجو برای: bnnts fiber

تعداد نتایج: 130402  

2010
T. A. Hilder R. Yang V. Ganesh D. Gordon A. Bliznyuk A. P. Rendell S.-H. Chung

Past molecular dynamics (MD) studies of boron nitride nanotubes (BNNTs) have used van der Waals parameters from generic force fields, combined with various values for the partial charges on the boron and nitrogen atoms. This study explores the validity of these parameters by first using quantum chemical packages Car-Parrinello molecular dynamics (CPMD) and Gaussian to compute partial charges fo...

Journal: :journal of physical & theoretical chemistry 2011
a. nouni m. yousefi m. mirzaei

density functional theory (dft) calculations have been performed to investigating the effects of themolecular oxygen impurity on the quadrupole coupling constant (qcc) parameters of armchair and zigzagboron nitride nanotubes (bnnts). optimization processes have been performed to relax the original andimpure structures of the investigated bnnts. afterwards, the qcc parameters have been evaluated...

Journal: :iranian chemical communication 2014
mahdi rezaei sameti nina alisafarzadeh

the aim of this research is studying the effects of ge-doped on co adsorption on the outer and inner surfaces of (6, 0) zigzag model of boron nitride nanotube (bnnts) by using dft theory. for this purpose, eight models of co adsorption on the surfaces of bnnts are considered. at first step, all structures were optimized at b3lyp and 6-31g (d) standard base set and then the electronic structure,...

پایان نامه :وزارت علوم، تحقیقات و فناوری - دانشگاه تربیت مدرس 1389

abstract: country’s fiber optic network, as one of the most important communication infrastructures, is of high importance; therefore, ensuring security of the network and its data is essential. no remarkable research has been done on assessing security of the country’s fiber optic network. besides, according to an official statistics released by ertebatat zirsakht company, unwanted disconnec...

Journal: :Journal of The Chilean Chemical Society 2021

In this study, the interactions of two effective derivatives methotrexate anticancer drug with Single-wall carbon nanotubes (SWNTs) and Boron nitride (BNNTs) in gas phase were investigated using DFT calculations. Through method, effects different solvents on interaction SWNTs BNNTs within Onsager self-consistent reaction field (SCRF) model, as well temperature stability between compounds variou...

2013
Claudio Attaccalite Ludger Wirtz Andrea Marini Angel Rubio

Boron nitride is a promising material for nanotechnology applications due to its two-dimensional graphene-like, insulating, and highly-resistant structure. Recently it has received a lot of attention as a substrate to grow and isolate graphene as well as for its intrinsic UV lasing response. Similar to carbon, one-dimensional boron nitride nanotubes (BNNTs) have been theoretically predicted and...

Journal: :Chemical communications 2015
Dukeun Kim Sayuka Nakajima Toshiki Sawada Mahiro Iwasaki Susumu Kawauchi Chunyi Zhi Yoshio Bando Dmitri Golberg Takeshi Serizawa

Boron nitride (BN)-based nanomaterials attract considerable attention due to their unique properties. In this study, we found that sonication treatment of multiwalled boron nitride nanotubes (BNNTs) in primary alcohols had led to chemical peeling of their sidewalls through alcoholysis, thereby producing boron nitride nanoribbons (BNNRs).

A. Nouni M. Mirzaei M. Yousefi

Density functional theory (DFT) calculations have been performed to investigating the effects of themolecular oxygen impurity on the quadrupole coupling constant (Qcc) parameters of armchair and zigzagboron nitride nanotubes (BNNTs). Optimization processes have been performed to relax the original andimpure structures of the investigated BNNTs. Afterwards, the Qcc parameters have been evaluated...

Journal: :ACS applied nano materials 2022

Boron nitride nanotubes (BNNTs), the structural analogues to carbon (CNTs), attracted considerable attention due their excellent properties. However, synthesis of BNNTs suffers from high-temperature requirement, which increases cost and adds complexity instruments (arc-discharge, plasma-assisted CVD, etc.), preventing further exploration use harmful chemicals (catalytic chemical vapor depositio...

2016
Boyi Hao Anjana Asthana Paniz Khanmohammadi Hazaveh Paul L. Bergstrom Douglas Banyai Madhusudan A. Savaikar John A. Jaszczak Yoke Khin Yap

Tunneling field effect transistors (TFETs) have been proposed to overcome the fundamental issues of Si based transistors, such as short channel effect, finite leakage current, and high contact resistance. Unfortunately, most if not all TFETs are operational only at cryogenic temperatures. Here we report that iron (Fe) quantum dots functionalized boron nitride nanotubes (QDs-BNNTs) can be used a...

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