Interfacial Electronic and Photovoltaic Performance of a Novel Lead‐Free Z‐Scheme CsSnBr₃/MoSe₂ Perovskite Heterostructure: A Theoretical and Experimental Study

Abstract

Sn‐based perovskite materials with nontoxic, low cost, and unique structure have attracted much attention. However, their efficiency only reaches 14.09% due to the higher carrier recombination rate and short carrier lifetime in photovoltaic applications. Herein, the interfacial electronic structure, optical absorption, interfacial charge transfer mechanism, and photovoltaic performance of the CsSnBr3/MoSe2 perovskite heterostructure are systematically investigated by theoretical calculation and experimental observation. The results indicate that the strong coupling and hybridization of interfacial electronic states can lead to a narrowing bandgap, which induces an excellent optical absorption of the CsSnBr3/MoSe2 perovskite heterostructure in the visible spectrum. Excitingly, the charge transfer at the interface forms a built‐in electric field, which can effectively promote the interfacial charge transfer between CsSnBr3 (001) and MoSe2 monolayer, complying with a Z‐scheme mechanism. Moreover, the photovoltaic performance of the CsSnBr3/MoSe2 heterostructure significantly enhances due to excellent light absorption and Z‐scheme system for extending carrier lifetime. An effective strategy for designing highly efficient Sn‐based perovskite solar cells is reported.

Effective Malachite Green Degradation over the Noble Metal-Doped and MOF-Coupled CsSnBr3 Nanocomposite Catalyst

“…As a result, there has been a great deal of interest in replacing lead with nontoxic metals such as tin, bismuth, or germanium. Remarkably, among various PVKs, CsSnBr 3 is believed to be a promising material, providing an innovative platform for pollution control applications [10].…”

Efficient Modulation of Schottky to Ohmic Contact in MoSi2N4/M3C2 (M = Zn, Cd, Hg) van der Waals Heterostructures

“…Semiconductors are widely used and developed in integrated circuits, , solar cells, , and photodetectors due to their unique electronic, optical, and mechanical properties. Metal/semiconductor contacts are a major area of inquiry for two-dimensional (2D) materials since they are an essential part of semiconductor devices.…”