Quantum dots (QDs) with core/shell (c/s) type configurations are promising candidates for photovoltaic (PV) applications, as they known to enhance the QD stability, and also expected reduce charge carrier recombination both by reducing trap states increasing separation. Hence, here we report detailed first-principles studies of different compositions c/s QDs made from nontoxic materials, namely...

   In this study the adsorption of selenium molecule (Se2) on the outer surface of zigzag (5,0), (8,0) and (10,0) carbon nanotubes has been investigated. We examined number adsorbed orientations as well as different adsorption sites on nanotubes. The adsorption energies, equilibrium distances, energy differences between the highest occupied molecular orbital (HOMO) and lowest uno...

objective(s): first-principles calculations have been carried out to investigate the interaction of aspirin molecule with nitrogen-doped tio2 anatase nanoparticles using the density functional theory method in order to fully exploit the biosensing capabilities of tio2 particles. methods: for this purpose, we have mainly studied the adsorption of the aspirin molecule on the fivefold coordinated ...

Internet of Things (IoT) support for smart city systems improves service scales by ignoring various user congestion. People are looking different security features reliable and robust applications. Here, the Permanent Denial Service (PDoS) problem arises from improper identification. This article introduces Service-Reliant Application Authentication (SRAA) to prevent PDoS attacks in a area city...

one of the useful indices in molecular topology is randić index. the alternative double bonds andconjugation in the polyene compounds are one of the main properties in these compounds. someof the molecular orbital and structural properties refer to this specialty, such as: molar absorptioncoefficient (εmax) , electrical conductivity and difference energy level of the homo and lumoorbitals, etc....