Effect of chemical doping of boron and nitrogen on the electronic, optical, and electrochemical properties of carbon nanotubes
This review covers the electronic, optical and electrochemical properties along with
electronic behaviors of boron (B) and nitrogen (N) substituted Single Wall Carbon …
electronic behaviors of boron (B) and nitrogen (N) substituted Single Wall Carbon …
New nanoforms of carbon and boron nitride
VV Pokropivny, AL Ivanovskii - Russian Chemical Reviews, 2008 - iopscience.iop.org
Data on new carbon nanostructures including those based on fullerenes, nanotubes as well
monolithic diamond-like nanoparticles, nanofibres, various nanocomposites, etc., published …
monolithic diamond-like nanoparticles, nanofibres, various nanocomposites, etc., published …
Al-, Ga-, and In-decorated BP nanotubes as chemical sensors for 2-chloroethanol
MM Kadhim, FF Sead, AT Jalil, TZ Taban… - Monatshefte für Chemie …, 2022 - Springer
B3LYP density functional is utilized for probing the effect of decorating Al, Ga, and In on the
sensing performance of a boron phosphide nanotube (BPNT) in detecting the 2 …
sensing performance of a boron phosphide nanotube (BPNT) in detecting the 2 …
A DFT study on the electronic detection of mercaptopurine drug by boron carbide nanosheets
A Hassanpour, S Ebrahimiasl… - Computational and …, 2021 - Elsevier
The potential application of pristine and Au-decorated BC 3 nanosheet (Au@ BC 3 N) was
studied in mercaptopurine (MC) drug detection using density functional theory calculations …
studied in mercaptopurine (MC) drug detection using density functional theory calculations …
First principles of Si-doped BC2N single layer for hydrogen evolution reaction (HER)
CJ Rupp, J Anversa, RJ Baierle - International Journal of Hydrogen Energy, 2023 - Elsevier
Abstract Understanding the Hydrogen Evolution Reaction (HER) process is fundamental to
use hydrogen as a sustainable (clean and renewable) energy source. Using first-principles …
use hydrogen as a sustainable (clean and renewable) energy source. Using first-principles …
A DFT study on the sensing behavior of a BC2N nanotube toward formaldehyde
M Noei, AA Peyghan - Journal of molecular modeling, 2013 - Springer
We investigated the viability of using a BC 2 N nanotube to detect formaldehyde (H 2 CO)
molecule by means of B3LYP and M06 density functionals. The results indicate that the …
molecule by means of B3LYP and M06 density functionals. The results indicate that the …
Boron-rich enhanced ambient CO 2 capture and storage of boron–carbon–nitride hybrid nanotubes
FE Moghaddam, F Shayeganfar… - Journal of Materials …, 2023 - pubs.rsc.org
Increasing carbon dioxide (CO2) emissions as the most challenging greenhouse gas is
considered as a major cause of global warming and ocean acidification. Different strategies …
considered as a major cause of global warming and ocean acidification. Different strategies …
A DFT study on the effect of Au-decoration on the interaction of adrucil drug with BC2N nanotubes in the gas phase and aqueous solution
J Jiang, T Yan, D Cui, J Wang, J Shen, F Guo… - Journal of Molecular …, 2020 - Elsevier
Despite the important role of adrucil drug in treatment of cancers such as colorectal, breast,
and pancreatic, it can cause several side effects. So, the adrucil determination in biological …
and pancreatic, it can cause several side effects. So, the adrucil determination in biological …
A selective NO sensor based on the semiconducting BC2N nanotubes: a computational study
Y Liu, C Liu, A Kumar - Molecular Physics, 2020 - Taylor & Francis
We simulated the interaction of CO and NO gases with a semiconducting BC2N nanotube
(BC2NN) to investigate its potential application as a sensor, using DFT calculations. The CO …
(BC2NN) to investigate its potential application as a sensor, using DFT calculations. The CO …
Effect of B/N co-doping on the stability and electronic structure of single-walled carbon nanotubes by first-principles theory
YT Li, TC Chen - Nanotechnology, 2009 - iopscience.iop.org
The stability and electronic structure of single-walled carbon nanotubes with B/N co-doping
are investigated in detail by using the first-principles theory. From eight possible B/N co …
are investigated in detail by using the first-principles theory. From eight possible B/N co …