Results 11 to 20 of about 19,340 (262)

In Silico Adsorption of Lomustin anticancer drug on the surface of Boron Nitride nanotube [PDF]

Chemical Review and Letters, 2021
The present study aimed to assess the adsorption of Lomustin on the single-walled Boron Nitride nanotube which has been examined using Density Functional Theory (DFT), agent in a solvent phase (water) at the B3LYP/6-31G (d) theoretical level.
Maryam Afshar, Roya Ranjineh Khojasteh, Roya Ahmadi, Mahboobeh Nakhaei Moghaddam   +3 more
doaj   +1 more source

Investigations on the Nonlinear Optical Properties of 0D, 1D, and 2D Boron Nitride Nanomaterials in the Visible Spectral Region

Nanomaterials, 2023
In recent years, boron nitride nanomaterials have attracted increasing attention due to their unique properties such as high temperature stability and high thermal conductivity.
Stefanie Dengler, Bernd Eberle
doaj   +1 more source

Highly efficient synthesis of boron nitride nanotubes by catalytic chemical vapor deposition of boron/nickel containing precursors

Journal of Materiomics, 2022
High-purity and high-yield boron nitride nanotubes with large aspect ratio were prepared by a facile two-step process, including the synthesis of boron/nickel containing precursors by precipitation reactions and subsequent thermally catalytic chemical ...
Heng Wang, Haoran Yang, Yongzhi Peng, Yulin Zheng, Dongying Huang, Pu Hu, Yawei Li, Zhengyi Fu   +7 more
doaj   +1 more source

Boron Nitride-Based Nanomaterials: Synthesis and Application in Rechargeable Batteries

Batteries, 2023
Conventional boron nitride material is a resistant refractory compound of boron and nitrogen with various crystalline forms. The hexagonal form, which corresponds to graphite, is used as a lubricant and an additive to cosmetic products because of its ...
Srikanth Mateti, Irin Sultana, Ying Chen, Manikantan Kota, Md Mokhlesur Rahman   +4 more
doaj   +1 more source

Adsorption of parathion and chlorpyrifos organophosphoros pesticides with the iron doped boron nitride nanotubes; A theoretical study [PDF]

شیمی کاربردی روز, 2017
In this work, the interaction of two organophosphates, parathion and chlorpyrifos, with armchair and zigzag boron nitride nanotubes and their Fe doped derivatives in gaseous and aqueous phases was studied using the computational and conceptual density ...
davood farmanzadeh, hamid rezaeinejad
doaj   +1 more source

The Effect of an External Electric Field on the Electronic Properties of Defective CBN Nanotubes: A Density Functional Theory Approach

Crystals, 2022
We investigated the effects of applying an external electric field on the electronic properties of Stone-Wales (SW) defective carbon-boron-nitride nanotubes (CBN) using first principles calculations.
Saed Salman, Najeh Rekik, Alaaedeen Abuzir, Adil Alshoaibi, Jamal Suleiman   +4 more
doaj   +1 more source

Modeling Interactions of Iron Atoms Encapsulated in Nanotubes

Crystals, 2021
The behavior and electronic structure of the carbon and boron nitride nanotubes that interact with the iron atom were studied using the Lennard–Jones potential and hybrid discrete-continuum approach.
Mansoor H. Alshehri
doaj   +1 more source

Quantum Chemical Approaches to the Encapsulation of Parathion, Chlorpyrifos and Coumaphos by Armchair and Zigzag Boron Nitride Nanotubes Doped with Aluminum

Crystals, 2023
Boron nitride nanotubes have been widely used as drug delivery vehicles and for the controlled release of targeted therapeutic drugs. In this study, we calculated the encapsulation efficiencies of three organophosphorus pesticides, parathion ...
Rong-Lieh Wang, Chia Ming Chang
doaj   +1 more source

Determination of Young's modulus of Boron Nitride nano tubes using energy method [PDF]

مجله مدل سازی در مهندسی
Considering the increasing use of nanotubes in various industries, it is of great importance to investigate the mechanical properties of these nanostructures.
Danial Ghahremani-Moghadam, Massoud Mir, Fatemehzahra Ranjbar, Mahnaz Golmareshk   +3 more
doaj   +1 more source

Molecular dynamics investigation of the thermal properties in single-walled boron nitride nanotube

Materials Research Express, 2020
The thermal properties of single-walled boron nitride nanotubes (BNNTs) are studied in this paper based on molecular dynamics (MD) simulations. The influence and mechanism of tubular configuration, temperature, length, diameter and chirality on the ...
Jianzhang Huang, Yalan Guo, Yue Fan, Yingjing Liang   +3 more
doaj   +1 more source