Based on a comprehensive investigation includingab initiophonon and finite-temperature molecular dynamics calculations, we find that two-dimensional tricycle-shaped arsenene (T-As) is robust and even stable under high temperature.
The optical absorption spectra of blended poly (N-carbazole) (PVK) with polyvinylpyrrolidone (PVP) in various compositions are investigated. A doctor blade technique was used to coat the blended polymer on a quartz substrate. The electronic parameters such as absorption edge (Ee), allowed direct band gap (Ed), allowed indirect band gap (Ei), Urbach edge (Eu) and steepness parameter (γ) were calculated using Tauc/Davis-Mott Model. The results reveal that the Ee, Ed and Ei increase with increasing of PVP ratio. There also have variation changing in Urbach energy and steepness parameter.
Analysis of Direct Band Gap A2ScInI6 (A=Rb, Cs) Double Perovskite Halides Using DFT Approach for Renewable Energy Devices