We utilized two-dimensional (2D) monolayer bismuthene nanosheet (BiNS) as the sensing material for detecting the hazardous vapor molecules benzyl chloride (BC) and …
We systematically investigated the adsorption characteristics of chronic obstructive pulmonary disease (COPD) biomarker volatiles on violet phosphorene with density …
MA Nazir, T Mahmood, AA Zafar, N Akhtar… - Physica B: Condensed …, 2021 - Elsevier
The pressure induced theoretical investigations of electronic, optical and elastic constants of cubic zirconia (c-ZrO 2) are estimated under the effect of hydrostatic pressure (0–40 GPa) by …
X Deng, L Lin, Y Mo, K Dong, Z Tian, W Hu - Transactions of Nonferrous …, 2020 - Elsevier
The phase transition of tungsten (W) under high pressures was investigated with molecular dynamics simulation. The structure was characterized in terms of the pair distribution …
In the present model, we aim to sense the availability of organic compounds, benzyl chloride and chlorobenzene with the help of violet phosphorene (VP). In order to enunciate the …
The structural, mechanical, mechanical anisotropy, electronic properties and X-ray diffraction (XRD) pattern of BC8 carbon were investigated utilizing density functional theory …
V Nagarajan, K Padmashri… - … and Application of …, 2023 - doiserbia.nb.rs
The mechanical and electronic properties of NiCo2O4 crystal under high pressure are explored based on the density functional theory method. The pressure in the range from 0 to …
We investigated the electronic properties of bismuthene nanotube (Bi-NT) with chirality of (7, 0) and employed it as a chief component for detection of V-series vapors. The ill-effects …
Using density functional theory (DFT) technique, we explored the interaction behaviour of target chloroform (CHCl3) molecules on armchair blue phosphorene nanoribbon (ABPNR) …