[HTML][HTML] Synthesis of boron nitride nanotubes and their applications
Boron nitride nanotubes (BNNTs) have been increasingly investigated for use in a wide
range of applications due to their unique physicochemical properties including high …
range of applications due to their unique physicochemical properties including high …
A mini-review on dispersion and functionalization of boron nitride nanotubes
Boron nitride nanotubes (BNNTs) are of intense scientific interest due to their unrivaled
physicochemical characteristics, extraordinary thermal, electronic, mechanical, optical …
physicochemical characteristics, extraordinary thermal, electronic, mechanical, optical …
Physisorption of DNA Nucleobases on h-BN and Graphene: vdW-Corrected DFT Calculations
Using local, semilocal, and van der Waals energy-corrected density-functional theory (PBE+
vdW) calculations, we present a comparative study of DNA nucleobases [guanine (G) …
vdW) calculations, we present a comparative study of DNA nucleobases [guanine (G) …
Theoretical study of adsorption of amino acids on graphene and BN sheet in gas and aqueous phase with empirical DFT dispersion correction
Understanding interactions of biomolecules with nanomaterials at the molecular level is
crucial to design new materials for practical use. In the present study, adsorption of three …
crucial to design new materials for practical use. In the present study, adsorption of three …
Vinyl chloride adsorption onto the surface of pristine, Al-, and Ga-doped boron nitride nanotube: A DFT study
MD Mohammadi, HY Abdullah - Solid State Communications, 2021 - Elsevier
The density functional techniques (DFT) were put into practice to study the nature of the
intermolecular interactions between Vinyl chloride (VCM) gas molecule with single-walled …
intermolecular interactions between Vinyl chloride (VCM) gas molecule with single-walled …
Arsenene nanoribbons for sensing NH3 and PH3 gas molecules–a first-principles perspective
Using first-principles calculation, the electronic and adsorption characteristics of ammonia
(NH 3) and phosphine (PH 3) gas molecules on hydrogenated armchair arsenene (arm …
(NH 3) and phosphine (PH 3) gas molecules on hydrogenated armchair arsenene (arm …
Investigation on graphdiyne nanosheet in adsorption of sorafenib and regorafenib drugs: a DFT approach
We investigated the electronic characteristics of graphdiyne nanosheet (Gdn-NS) using first-
principles calculation. The Gdn-NS possesses the energy gap value of 0.52 eV. Also, the …
principles calculation. The Gdn-NS possesses the energy gap value of 0.52 eV. Also, the …
Amino acid functionalized boron nitride nanosheets towards enhanced thermal and mechanical performance of epoxy composite
N Wu, W Yang, H Li, S Che, C Gao, B Jiang, Z Li… - Journal of Colloid and …, 2022 - Elsevier
Hypothesis The practical applications of boron nitride nanosheet (BNNS) are dramatically
limited by the harsh exfoliation and surface functionalization conditions due to the …
limited by the harsh exfoliation and surface functionalization conditions due to the …
Effect of Al- and Ga-do** on the adsorption of HSiCl onto the outer surface of boron nitride nanotube: a DFT study
MD Mohammadi, HY Abdullah… - Comptes …, 2021 - comptes-rendus.academie-sciences …
Résumé There is a compelling reason to design cost-effective sensors to detect and
measure harmful molecules such as dichlorosilane (H 2 SiCl 2) in the air. In this work …
measure harmful molecules such as dichlorosilane (H 2 SiCl 2) in the air. In this work …
SF6 and SOF2 interaction studies on novel Tricycle Red Phosphorene sheets based on first-principles studies
Nowadays, the two-dimensional semiconductor-based sensor has been widely used to
sense different toxic gas and vapour molecules due to their high sensitivity, selectivity, and …
sense different toxic gas and vapour molecules due to their high sensitivity, selectivity, and …