Alternative lead-free mixed-valence double perovskites for high-efficiency photovoltaic applications

Lead-based organic-inorganic hybrid perovskites have exhibited great potential in photovoltaics,achieving power conversion efficiencies(PCEs) exceeding 25%.However,the toxicity of lead and the instability of these materials under moist conditions pose significant barriers to large-scale production.To overcome these limitations,researchers have proposed mixed-valence double perovskites,where Cs_(2)Au~ⅠAu~ⅢI_6 is a particularly effective absorber due to its suitable band gap and high absorptance efficiency.To further extend the scope of these lead-free materials,we varied the trivalent gold ion and halogen anion in Cs_(2)Au~ⅠAu~ⅢI_6,resulting in 18 new structures with unique properties.Further,using first-principles calculations and elimination criteria,we identified four materials with ideal band gaps,small effective carrier mass,and strong anisotropic optical properties.According to theoretical modeling,Cs_(2)AuSbCl_6,Cs_(2)AuInCl_6,and Cs_(2)AuBiCl_6 are potential candidates for solar cell absorbers,with a spectroscopic limited maximum efficiency(SLME) of approximately 30% in a 0.25 μm-thick film.These three compounds have not been previously reported,and therefore,our work provides new insights into potential materials for solar energy conversion.We aim for this theoretical exploration of novel perovskites to guide future experiments and accelerate the development of high-performance photovoltaic devices.

Mixed convection effects on heat and mass transfer in a non Newtonian fluid with chemical reaction over a vertical plate

This paper studies mixed convection,double dispersion and chemical reaction effects on heat and mass transfer in a non-Darcy non-Newtonian fluid over a vertical surface in a porous medium under the constant temperature and concentration.The governing boundary layer equations,namely,momentum,energy and concentration,are converted to ordinary differential equations by introducing similarity variables and then are solved numerically by means of fourth-order Runge-Kutta method coupled with double-shooting technique.The velocity,temperature concentration,heat and mass transfer profiles are presented graphically for various values of the parameters,and the influence of viscosity index n,thermal and solute dispersion,chemical reaction parameter χ are observed.