We predicted an unexplored 1D PdGeS3 nanochain with high electron mobility and wide-bandgap properties. The estimated electron mobility is one to two orders of magnitude larger than those of most reported 1D nanowires.

The discovery of novel two-dimensional (2D) materials with excellent electronic and optoelectronic properties have attracted much scientific attention. Based on the first-principles calculations, we predict an unexplored 2D W4PCl11 monolayer,...

Based on the first-principles calculations, we predict a one-dimensional (1D) semiconductor with cluster-type structure, namely phosphorus-centered tungsten chloride W6PCl17. The corresponding single-chain system can be prepared from its bulk counterpart...