A new flatland buddy as toxic gas scavenger: A first principles study
Recently predicted and grown new single element two dimensional (2D) material
borophene gathered tremendous research interest due to its structural, electronic and other …
borophene gathered tremendous research interest due to its structural, electronic and other …
Sensing behaviour of monocyclic C18 and B9N9 analogues toward chemical warfare agents (CWAs); quantum chemical approach
This study describes the first demonstration of using monocyclic C 18 and B 9 N 9 as active
materials for the sensing and removing of chemical warfare agents (CWAs) such as …
materials for the sensing and removing of chemical warfare agents (CWAs) such as …
Boron nitride nanocluster as a carrier for lomustine anticancer drug delivery: DFT and thermodynamics studies
E Golipour-Chobar, F Salimi… - Monatshefte für Chemie …, 2020 - Springer
Previous reports were shown that boron nitride nanostructures can be biocompatible and
nontoxic. Therefore, interaction of lomustine as an anticancer drug with B 12 N 12, B 24 N …
nontoxic. Therefore, interaction of lomustine as an anticancer drug with B 12 N 12, B 24 N …
Hydroxyurea anticancer drug adsorption on the pristine and doped C70 fullerene as potential carriers for drug delivery
W Li, T Zhao - Journal of Molecular Liquids, 2021 - Elsevier
Recently, C 70 and its derivatives, as a representative nanomaterial, have attracted much
attention in the field of drug delivery because of their special electronic and geometric …
attention in the field of drug delivery because of their special electronic and geometric …
The sensing mechanism of HCHO gas sensor based on transition metal doped graphene: Insights from DFT study
Y Li, Y Xu, X Li - Sensors and Actuators A: Physical, 2022 - Elsevier
Formaldehyde (HCHO), as primary chemical feedstock, is widely used in various fields.
Unfortunately, it can cause harmful impacts on human health due to its high toxicity …
Unfortunately, it can cause harmful impacts on human health due to its high toxicity …
Carbon nitride 2-D surface as a highly selective electrochemical sensor for V-series nerve agents
Herein, carbon nitride 2-D surface (C 2 N) was studied as an electrochemical sensor for
chemical warfare agents (CWA; A-230, A-232, A-234, and VR). The deep insight of …
chemical warfare agents (CWA; A-230, A-232, A-234, and VR). The deep insight of …
Synthesis and modification of boron nitride nanomaterials for gas sensors: from theory to application
Y Zhang, Y Wang, C Qin, J Cao - Physical Chemistry Chemical Physics, 2024 - pubs.rsc.org
Boron nitride (BN) has gradually emerged as a significant focus of research due to its unique
physical and chemical properties. Over the past few years, substantial advancements have …
physical and chemical properties. Over the past few years, substantial advancements have …
Effect of vacancy defect and dopants on the sensitivity of germanene to H2CO
H Wang, Q Zhou, W Ju, W Sun - Physica E: Low-dimensional Systems and …, 2022 - Elsevier
The geometric and electronic structures, magnetism, and recovery time of vacancy-defected
and doped germanene, which is used as a sensor for the detection of H 2 CO molecule, are …
and doped germanene, which is used as a sensor for the detection of H 2 CO molecule, are …
Two-dimensional delafossite cobalt oxyhydroxide as a toxic gas sensor
To the chain of development of 2D materials, recently synthesized ultrathin cobalt oxy-
hydroxide (CoOOH) nano sheets gain potential interest due to its structural, electronic and …
hydroxide (CoOOH) nano sheets gain potential interest due to its structural, electronic and …
Transition metal-functionalized porphyrin-like C70 fullerenes as sensors and adsorbents of formaldehyde-DFT, NBO, and QTAIM study
C70 fullerenes are effective formaldehyde sensors and adsorbents, with nitrogen or boron
doping significantly increasing their sensitivity in detecting formaldehyde gas. C70 …
doping significantly increasing their sensitivity in detecting formaldehyde gas. C70 …