2D layered BP/InSe and BP/Janus In₂SeX (X = S or Te) type-II van der Waals heterostructures for photovoltaics: insight from first-principles calculations

Abstract

Constructing van der Waals (vdW) heterostructures provides an effective and feasible method for 2D materials to improve their properties and extend their possible applications. Using first-principles calculations, we explored the...

A strategy for boosting photovoltaic performance based on a two-dimensional ZrSSe/HfSSe van der Waals heterostructure

“…10,11 Recent synthesis and development of two-dimensional (2D) materials has ignited researchers' interests toward 2D novel XSCs once again. Unfortunately, most power conversion efficiencies (PCEs) of recent XSCs are still below 12% due to the recombination of excitons according to previous studies, 12 and enormous challenges remain to be overcome for designing an ideal highly efficient XSC, since many critical factors need to be satisfied simultaneously including excellent high visible light optical absorption, 13,14 small exciton binding energy, 13 high carrier mobility, 15 and moderate direct band gap (1.2–1.6 eV) of the donor. 16,17 Therefore, searching for new ideal candidates or exploring effective tunable mechanisms towards improving the above critical factors still remains imperative.…”