Experimental Realization and Computational Investigations of BS as a New 2D Material with Potential Applications.

A new two-dimensional material BS has been successfully synthesized for the first time and validated using first-principles calculations, with fundamental properties analyzed in detail. BS has a similar structure as transition-metal dichalcogenides (TMDs) such as MoS, and the experimentally prepared free-standing BS nanosheets show a uniform height profile lower than 1 nm. A thickness-modulated and unique oxidation-level dependent band gap of BS is revealed by theoretical calculations, and vibration signatures are determined to offer a practical scheme for the characterization of BS. It is shown that the functionalized BS is able to provide favorable sites for lithium adsorption with low diffusion barriers, and the prepared BS shows a wide band photoluminescence response. These findings offer a feasible new and lighter member for the TMD-like 2D material family with potential for various aspects of applications, such as an anode material for Li-ion batteries and electronic and optoelectronic devices.