Recent advances in phosphorene: structure, synthesis, and properties
Phosphorene is a 2D phosphorus atomic layer arranged in a honeycomb lattice like
graphene but with a buckled structure. Since its exfoliation from black phosphorus in 2014 …
graphene but with a buckled structure. Since its exfoliation from black phosphorus in 2014 …
Adsorption properties of metal functionalized fullerene (C59Au, C59Hf, C59Ag, and C59Ir) nanoclusters for application as a biosensor for hydroxyurea (HXU) …
This theoretical study was conducted to evaluate the efficiency of fullerene C60 and its metal
functionalized nano clusters (C59Au, C59Hf, C59Ag and C59Ir) as a sensor for hydroxyurea …
functionalized nano clusters (C59Au, C59Hf, C59Ag and C59Ir) as a sensor for hydroxyurea …
Potential sensing of toxic chemical warfare agents (CWAs) by twisted nanographenes: a first principle approach
The toxic chemical warfare agents (CWAs) are extremely harmful to the living organisms.
Their efficient detection and removal in a limited time span are essential for the human …
Their efficient detection and removal in a limited time span are essential for the human …
B3O3 monolayer with dual application in sensing of COVID-19 biomarkers and drug delivery for treatment purposes: A periodic DFT study
R Rahimi, M Solimannejad - Journal of Molecular Liquids, 2022 - Elsevier
The present research provides a theoretical investigation on applying pristine B 3 O 3
nanosheet for sensory properties toward the ethyl butyrate biomarker to identify COVID-19 …
nanosheet for sensory properties toward the ethyl butyrate biomarker to identify COVID-19 …
Defect engineering and zinc oxide doping of black phosphorene for nitrogen dioxide capture and detection: quantum-chemical calculations
M Ghashghaee, M Ghambarian - Applied Surface Science, 2020 - Elsevier
This article deals with the adsorption properties of pristine, defected, and ZnO-doped black
phosphorene (BP) monolayer slabs for nitrogen dioxide (NO 2) capture and detection at the …
phosphorene (BP) monolayer slabs for nitrogen dioxide (NO 2) capture and detection at the …
[HTML][HTML] Defective phosphorene for highly efficient formaldehyde detection: Periodic density functional calculations
The exfoliation of black phosphorene has spurred a great deal of research interest in
improved sensors and electronic devices in the past few years. This article has dealt with the …
improved sensors and electronic devices in the past few years. This article has dealt with the …
Molecular adsorption of o-ethyltoluene and phenyl propane on square-octagon phosphorene nanosheet–A first-principles calculation
V Nagarajan, R Chandiramouli - Journal of Molecular Liquids, 2021 - Elsevier
We established the geometric firmness of square-octagon phosphorene nanosheet (so-P-
ns) and investigated the interaction behaviour of o-ethyltoluene (OET) and phenyl propane …
ns) and investigated the interaction behaviour of o-ethyltoluene (OET) and phenyl propane …
Defect-engineered two-dimensional layered gallium sulphide molecular gas sensors with ultrahigh selectivity and sensitivity
Detecting toxic gases, especially greenhouse gases, is one of the most challenging and
complex tasks to maintain a sustainable environment. Based on first-principles theoritical …
complex tasks to maintain a sustainable environment. Based on first-principles theoritical …
Influence of NiO decoration on adsorption capabilities of black phosphorus monolayer toward nitrogen dioxide: periodic DFT calculations
This paper deals with the influence of NiO decoration of black phosphorene (BP) monolayer
with respect to nitrogen dioxide (NO2) capture and monitoring. The most stable configuration …
with respect to nitrogen dioxide (NO2) capture and monitoring. The most stable configuration …
Theoretical insights into hydrogen sensing capabilities of black phosphorene modified through ZnO doping and decoration
This paper has addressed the sensing capabilities of black phosphorene (BP) modified
through ZnO decoration and doping at the HSE06/TZVP level of theory. For the ZnO …
through ZnO decoration and doping at the HSE06/TZVP level of theory. For the ZnO …