Abstract

Herein we show using theoretical predictions that carbon monosulfide compounds exhibit a variety of layered nanostructures, such as chain arrays, monolayers, and thin films. We show that semiconductor chain arrays are the most stable because they are mainly dimensionality driven by sp(2) hybridization of the carbon orbitals. In contrast to the thin films, the monolayers are stable at room temperature in a semiconductor phase, which is followed in energy by a metallic phase. Moreover, we study a semiconductor-to-metal phase transition in the carbon monosulfide monolayers by strain engineering to control the conductivity and carrier mobility.