Chevrel phase materials form a family of ternary molybdenum chalcogenides with general chemical formula ${A}_{x}{\mathrm{Mo}}_{6}{X}_{8}$ $(A=\text{metal elements},X=\text{chalcogen})$. The variety $A$ atoms makes large number members and leads to many tunable physical properties, such as the superconductivity, thermoelectricity, ionic conductivity. In this work, we have further found various n...

Fluorination of graphene is one the most effective methods to improve corrosion protection coatings. In this work, diffusion and penetration behaviors O atoms on fully fluorinated (CF) partially (C<sub>4</sub>F) are investigated by using method searching for NEB transition state . The effects F resistance films also analyzed <i>r</i>. results show that adsorption can eff...

The unprecedented fast increase in power conversion efficiency seen photovoltaic devices based onhybrid halide perovskites have drawn significant research interests. Recent researches this area focused on finding different with better properties, especially stability. Atomistic simulations density functional theory were performed order to investigate the electronic properties of MAPbIPm-3m usin...

Nobel-metal based bimetallic nanoparticles (BNPs) are composed of two different metals presenting heteroatom interactions. In these nanomaterials it is possible to tune the relative composition that allows for modulation electronic and catalytic properties. They great interest their technological industrial applications due properties which may exceed those monometallic analogue structures. A t...