M Huzaifa, M Shafiq, N Ali, C Cocchi, M Nur-e-Alam… - ACS …, 2024 - ACS Publications
The rising level of toxic gases in the environment poses a high demand for efficient gas sensing materials. MXenes, an emerging class of two-dimensional (2D) materials, have …
Phosgene gas (COCl 2) is an extremely hazardous substance with severe and potentially lethal effects on human health. This research aims to assess the electronic structure …
S Rai, KK Jha - Computational and Theoretical Chemistry, 2024 - Elsevier
This paper investigates the structural, electronic and transport calculations of varies zigzag nitride nanoribbons using DFT-framework. Based on the binding energy calculations, it is …
Y Zhang, F Xu, Z Li - Physica Scripta, 2024 - iopscience.iop.org
The outstanding physical properties of hexagonal boron nitride (h-BN) make it highly valuable for use in nanoelectromechanical systems. We investigate the nonlinear stochastic …