Results 11 to 20 of about 15,200 (256)
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 +3 more
doaj +1 more source
Methyl Acetylene Detection by BN Nanotube: DFT Studies [PDF]
International Journal of New Chemistry, 2014 : 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)
Maziar Noei, Ali Moalla
doaj +1 more source
Aniline Adsorption on the Surface of a BN Nanotube: A Computational Study [PDF]
International Journal of New Chemistry, 2014 Electrical sensitivity of a boron nitride nanotube (BNNT) was examined toward aniline (C6H5NH2) 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 aniline on ...
Maziar Noei +2 more
doaj +1 more source
Hydroquinone Detection by BN Nanotube: DFT Studies [PDF]
International Journal of New Chemistry, 2014 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 ...
Maziar Noei +2 more
doaj +1 more source
Boron Nitride Nanotubes for Spintronics [PDF]
Sensors, 2014 With the end of Moore’s law in sight, researchers are in search of an alternative approach to manipulate information. Spintronics or spin-based electronics, which uses the spin state of electrons to store, process and communicate information, offers exciting opportunities to sustain the current growth in the information industry.
Kamal B. Dhungana, Ranjit Pati
openaire +3 more sources
Ethyl Acetylene Adsorption on the Surface of a BN Nanotube: A Computational Study [PDF]
International Journal of New Chemistry, 2014 : 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
Maziar Noei +2 more
doaj +1 more source
A Simple Method for the Synthesis of a Coral-like Boron Nitride Micro-/Nanostructure Catalyzed by Fe
Nanomaterials, 2023 Catalyzed by Fe, novel a coral-like boron nitride (BN) micro-/nanostructure was synthesized from B2O3 by a ball milling and annealing process. Observations of the morphology of the product indicated that the coral-like BN micro-/nanostructure consists of
Yanjiao Li +4 more
doaj +1 more source
Molecules, 2023 Heterostructures may exhibit completely new physical properties that may be otherwise absent in their individual component materials. However, how to precisely grow or assemble desired complex heterostructures is still a significant challenge.
Chao Zhang +5 more
doaj +1 more source
The adsorption of sulfur dioxide and ozone molecules on boron nitride nanotubes: A DFT study [PDF]
Journal of Water and Environmental Nanotechnology, 2019 Density functional theory calculations were carried out to investigate the adsorption behaviors and electronic structures of SO2 and O3 molecules on the pristine boron nitride nanotubes.
Amirali Abbasi
doaj +1 more source
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 +4 more
doaj +1 more source