Oxygen (O) alloying in a MoS2 monolayer appearing in different shapes: line-ordered, cluster and random have been theoretically designed, for band gap engineering in order to extend its nanotechnological applications. The ...
Density functional theory calculations have been performed to study the thermodynamic stability, structural and electronic properties of various chromium (Cr) line-ordered alloy configurations in a molybdenum disulfide ...
The thermodynamic stability, structural and electronic properties of Te line-ordered alloys are investigated using density functional theory (DFT) methods. Thirty four possible Te line-ordered alloy configurations are found ...
