Efficient thermoelectric properties and high UV absorption of stable zinc-doped all-inorganic perovskite for BIPV applications in multiple scenarios

The widespread adoption of building integrated photovoltaics (BIPV) is vital in the transition from carbon-based energy systems to renewable energy. Traditional photovoltaic modules are difficult to meet the requirements of building materials. In this paper, all-inorganic perovskite zinc-doped CsPb0.875Zn0.125X3 (X = Cl, Br, and systems studied through first principles calculation. The results indicate that the doped materials have better structural and mechanical stability. Pugh's ratio is higher than 1.75, which has good ductility. CsPb0.875Zn0.125Cl3 has high mechanical strength, ensuring the load-bearing requirements. CsPb0.875Zn0.125I3 exhibits high compressibility and can be easily shaped according to specific requirements. This characteristic makes it highly suitable for applications in areas such as flexible photovoltaic buildings and flexible power generation. The low extinction coefficient and refractive index, ranging between 1.45 and 2.00, along with transmittance of 88.7 % in the visible light range, indicate its potential for application in semi-transparent devices. The peak absorption coefficient of CsPb0.875Zn0.125Br3 reaches up to 6.11 x 105 cm-1 in the ultraviolet region, with a transmittance of 73 % lower than the other two. This makes it more suitable for building envelope structures. CsPb0.875Zn0.125Cl3 exhibits a peak value of the figure of merit at 300 K is 0.34, demonstrating application potential in building temperature difference power generation. CsPb0.875Zn0.125I3 ultra-thin mono layer has an average sound transmission loss greater than 2 dB, which has more sound insulation potential. This article provides a theoretical basis for the regional application of BIPV.