Bismuth telluride (Bi2Te3) thin film has received great interests for laser photonic, optical communication, biomedical imaging, gas sensing and motion detection applications. Therefore, to expose its hidden potentials, detailed knowledge of its optoelectronic properties at the l...
Open access
Research Article10.9734/jmsrr/2019/v2i140
Transition metal dichalcogenides (TMDs) have produced enormous interests due to their novel physical properties and wide ranges of potential applications. This study uses highly accurate first principles calculations within HSE06 functional, G0W0+BSE and Boltzmann transport theor...
Open access
Research Article10.9734/psij/2025/v29i4892
Tetrathiafulvalene (C6H4S4) is an organosulfur compound used in the manufacture of organic optoelectronic materials. Restricted Hartree-Fock (RHF) and Density Functional Theory (DFT) were employed for the study of the optimized molecular structure of TTF using different basis set...
Open access
Research Article10.9734/jenrr/2022/v10i430262
Perylene (C20H12) is an important member of the polycyclic aromatic hydrocarbons (PAHs) that has a wide applications such as organic photovoltaic cells, field effect transistors and biosensors. Optimized bond lengths and bond angles, HOMO-LUMO energy gap, global chemical indices,...
Antimony sulfide (Sb2S3) thin film have received great interests as an absorbing layer for solar cell technology. Electronic and optical properties of Sb2S3 thin films were studied by first principles approach. Highly accurate full-potential linearized augmented plane wave (FP-LA...
Open access
Research Article10.9734/psij/2019/v22i130123
Stanene is a 2D hexagonal layer of tin with exceptional electronic and optical properties. However, the semiconductor applications of stanene are limited due to its zero band-gap. However, doping stanene could lead to a band gap opening, which could be a promising material for el...
Open access
Research Article10.9734/psij/2021/v25i430251