Shift current photovoltaic efficiency of 2D materials

Abstract Shift current photovoltaic devices are potential candidates for future cheap, sustainable, and efficient electricity generation. In the present work, we calculate solar-generated shift efficiencies in 326 different 2D materials obtained from computational database C2DB. We apply, as metrics, of monolayer multilayer samples. The generally found to be low, while infinite stacks show great promise. Furthermore, out-of-plane response is considered, material identified. Among screened materials, MXY Janus MX 2 transition metal dichalchogenides (TMDs) constitute a prominent subset, with chromium based TMDs holding particular Finally, order explain band gap dependence PV efficiency, simple gapped graphene model variable established related calculated efficiencies.