标题/Title：
影响因子/Impact Factor：6.1
链接/Link：https://pubs.rsc.org/en/content/articlelanding/2024/qi/d4qi00816b/unauth
摘要/Abstract：
Inorganic gold-halide perovskites, owing to their excellent stability and tunable bandgaps, are poised to serve as environmentally benign alternatives to lead halide perovskites in the field of photovoltaics. In this study, we successfully synthesized two inorganic Auric-Aurous halide perovskites, Rb2Au2I6 and RbAuCl4, using a straightforward and efficient hydrothermal method, achieving millimeter-sized single crystals. Single crystal structural analysis revealed that Rb2Au2I6 exhibits a three-dimensional (3D) double perovskite structure, whereas RbAuCl4 demonstrates a two-dimensional (2D) Ruddlesden–Popper (RP)-type perovskite structure. We further analyzed their crystallographic information and elucidated the reasons behind the structural differences between them. Moreover, first-principles calculations ascertained their high optical absorption coefficients within the visible light spectrum and indirect bandgap properties. Utilizing theoretical models, we discovered that Rb2Au2I6 and RbAuCl4 exhibit spectroscopic limited maximum efficiency (SLME) of 30.12% and 22.30%, respectively, in films of 0.5 m thickness, signifying their potential candidacy as solar cell absorbers. Theoretical calculations related to thermoelectric properties illustrate high ZT of about 1.4 and 1.2 at 500K for Rb2Au2I6 and RbAuCl4, respectively. Based on the significantly shortened synthesis of Rb2Au2I6 and RbAuCl4, our study demonstrated their potential in the field of optoelectronics and thermoelectric, which could lay a solid foundation for future applications in energy-conversion devices.
