Density functional theory calculations were carried out to investigate the structural and electronicproperties of the adsorption of O3 molecules on AlP-codoped monolayers to fully exploit the gas sensingcapability ...

The potential of nanofluids for the improvement of heat transfer coefficient in various heat exchangeequipment has been considered and studied as a major application during recent decades. In this research,heat ...

This study aimed to investigate the adsorption of CH4, CO2, H2S at a temperature of 298.15 K and pressurerange of 0.1 to 30 atm, and compare the results with experimental data for MIL-47 using GCMC. Themaximum ...

In recent years, the use of nanotechnology (nano-particles, nanomaterial, nano-additives and nanostructuredmaterials) has attracted attention of scholars, engineers and scientists in all scientificfields such ...

In this study the interaction of cis-PtCl2(NH3)2 complex and graphene were investigated with MPW1PW91method in gas and solvent phases. The solvent effect was examined by the self-consistent reaction fieldtheory ...

Perovskite-type oxides of LaFe(1+x)O(3+δ) (x = 0.0, 0.2, 0.5 and 0.7) were synthesized by citrate sol–gel methodto ensure the formation of nanosized perovskites. The physicochemical properties of these LaFe(1+x)O(3+δ)

In recent years, there is a lot of interest in synthesis of nanostructures as carriers for drug delivery.These structures are considered as a highly effective drug delivery system due to controlling drugrelease, ...