The interfacial properties of edge-contact heterojunction of SnSSe/metal from first principles

First-principles study of magnetic properties and electronic structure of 3d transition-metal atom–adsorbed SnSSe monolayers

“…In 2016, Wang et al synthesized a sample of SnSSe with tin (Alfa Aesar, 99.9%), sulfur (Alfa Aesar, 99.5%), and selenium (Alfa Aesar, 99.999%) in a vacuum quartz tube at 400 °C for 50 h for the fabrication of a high-capacity sodium-ion battery via a solid-phase reaction, 31 and it was used to prepare sodium-ion battery anode materials. After that, Nguyen et al investigated the electronic structure as well as the optical properties of SnSSe, 32 Wang et al investigated the interfacial properties of the heterojunction of SnSSe in contact with metal edges, 33 Tang et al investigated the use of stresses to modulate the thermoelectric properties of SnSSe, 34 and we found that the study of SnSSe adsorbed with TM atoms is less; based on this, we have taken the electronic structure and magnetic properties of TM-adsorbed SnSSe as the object of this study.…”