The recent advancement of low-dimensional nanostructured materials for drug delivery and drug sensing application: A brief review
In this review article, we have presented a detailed analysis of the recent advancement of
quantum mechanical calculations in the applications of the low-dimensional nanomaterials …
quantum mechanical calculations in the applications of the low-dimensional nanomaterials …
Theoretical studies with B12N12 as a toxic gas sensor: a review
This systematic review presents an overview, from 2011 to 2022, of how pure B12N12 and
B12N12-modified nanocages have been used to detect toxic gases from studies based on …
B12N12-modified nanocages have been used to detect toxic gases from studies based on …
Transition Metal-Decorated B12N12–X (X = Au, Cu, Ni, Os, Pt, and Zn) Nanoclusters as Biosensors for Carboplatin
Theoretical studies on the adsorption, sensibility, and reactivity of a boron nitride nanocage
decorated with Au, Cu, Ni, Os, Pt, and Zn metals as a biosensor material were carried out for …
decorated with Au, Cu, Ni, Os, Pt, and Zn metals as a biosensor material were carried out for …
Detection of phosgene by Sc-doped BN nanotubes: a DFT study
Exploring a novel sensor for detection of toxic phosgene molecules, interaction of pristine
and Sc-doped boron nitride nanotubes (BNNT) with the phosgene was investigated using …
and Sc-doped boron nitride nanotubes (BNNT) with the phosgene was investigated using …
Computational study on nickel doped encapsulated Mg, K, Ca on pristine C24 nanocage for gas sensing applications
Intense attention have been channeled into environmental sustainability due to the high
emission of greenhouse gases therefore, this investigatiom focuses on the adsorption and …
emission of greenhouse gases therefore, this investigatiom focuses on the adsorption and …
Ca12O12 nanocluster as highly sensitive material for the detection of hazardous mustard gas: Density-functional theory
Through density functional theory (DFT) computations, the adsorption behavior and
electronic sensitivity of the mustard gas are scrutinized towards a Ca 12 O 12 nanocluster …
electronic sensitivity of the mustard gas are scrutinized towards a Ca 12 O 12 nanocluster …
Detection of hydroxymethanesulfonate (HMS) by transition metal-anchored fullerene nanoclusters
Herein, theoretical study on the adsorption and detection of hydroxymethanesulfonate (HMS-
CH 3 O 4 S) gas onto the surfaces of transition metal dopedfullerene: C23Cr, C23Fe, C23Ni …
CH 3 O 4 S) gas onto the surfaces of transition metal dopedfullerene: C23Cr, C23Fe, C23Ni …
Computation Assisted Design and Prediction of Alkali-Metal-Centered B12N12 Nanoclusters for Efficient H2 Adsorption: New Hydrogen Storage Materials
Hydrogen is clean energy source that can replace fossil fuels, considering the great need for
clean and environmentally friendly energy. Researchers are busy develo** new materials …
clean and environmentally friendly energy. Researchers are busy develo** new materials …
Adsorption of Gases on Fullerene-like X12Y12 (X = Be, Mg, Ca, B, Al, Ga, C; Y = C, Si, N, P, O) Nanocages
Density functional theory calculations are carried out to investigate the adsorption behaviors
of CO2, NO, CO, and NH3 on 12 fullerene-like X12Y12 (B12N12, Al12N12, Ga12N12 …
of CO2, NO, CO, and NH3 on 12 fullerene-like X12Y12 (B12N12, Al12N12, Ga12N12 …
DFT outcome for comparative analysis of Be12O12, Mg12O12 and Ca12O12 nanocages toward sensing of N2O, NO2, NO, H2S, SO2 and SO3 gases
The gas sensing applications of nanocages find intense attention in environmental
monitoring. In this research, the adsorption of nitrogen and sulfur-containing gaseous …
monitoring. In this research, the adsorption of nitrogen and sulfur-containing gaseous …