Effects of shell thickness on the thermal stability of Cu-Ag core-shell nanoparticles: A molecular dynamics study

Cu-Ag core-shell (CS) nanoparticle (NP) is considered as a cost-effective alternative material to nano silver sintering material in die attachment application. To further reduce the cost, the thickness of the Ag shell can be adjusted. Whereas the shell thickness will also affect the thermal stability of the Cu-Ag CSNPs. In this study, molecular...

A theoretical study of atmospheric pollutant NO₂ on as-doped monolayer WS₂ based on DFT method

For the relevant properties of pristine and doped (Si, P, Se, Te, As) monolayer WS₂ before and after the adsorption of CO, CO₂, N₂, NO, NO₂ and O₂, density functional theory (DFT) calculations are made. Calculation results reveal that the monolayer WS₂ doped with P and As atoms...