Numerical simulation of lead-free vacancy ordered Cs₂PtI₆ based perovskite solar cell using SCAPS-1D

Abstract

In recent years, vacancy-ordered halide double perovskites have emerged as promising non-toxic and stable alternatives for their lead-based counterparts in optoelectronic applications.

Performance optimization of CsPbIBr2-based perovskite solar cells through device modeling

“…Numerous studies have provided evidence that the efficiency of solar cells is substantially influenced by the quality and morphology of the perovskite layer. This, in turn, impacts the diffusion length and lifetime of photogenerated carriers [24][25][26][27][28]. Therefore, in order to improve the functionality of perovskite devices, it is essential to reduce the defect density of the perovskite material to an acceptable level [27,28].…”

“…This, in turn, impacts the diffusion length and lifetime of photogenerated carriers [24][25][26][27][28]. Therefore, in order to improve the functionality of perovskite devices, it is essential to reduce the defect density of the perovskite material to an acceptable level [27,28]. The elimination of the defect density in the absorber layer can occur throughout the modeling process.…”

“…At this point, it is plausible that an increase in the quantity of electrons and holes present in the structure might influence the reverse saturation current, resulting in a simultaneous intensification of its velocity and strength [23]. Moreover, carrier separation is enhanced when the intensity of the electric field at the interface of heterostructures is increased, according to an observation [28]. The efficiency of the device decreases when all of these mechanisms capabilities are utilized due to the progression of carrier recombination.…”

DFT-Computational Modeling and TiberCAD Frameworks for Photovoltaic Performance Investigation of Copper-Based 2D Hybrid Perovskite Solar Absorbers

“…Multiscale/multiphysics simulations are highly sought after in the analysis of electronic and optoelectronics devices such as III–V LEDs, organic diodes, transistors, and nanowire FETs. , TiberCad is one of the pioneering tools capable of addressing this need, spanning FEM continuous models to atomistic descriptions. The numerical modeling of the solar cell was conducted using TiberCAD Software and is based on the semiclassical drift-diffusion transport model, which consists of the continuity equations of electrons (2) and holes (3) coupled via the Poisson eq as follows: d P n d t = G P − P n − P n 0 τ p − p n u P d E d x − u P E d P n normald italicx + D n d 2 P n d x 2 …”

“…Multiscale/multiphysics simulations are highly sought after in the analysis of electronic and optoelectronics devices such as III–V LEDs, organic diodes, transistors, and nanowire FETs. , TiberCad is one of the pioneering tools capable of addressing this need, spanning FEM continuous models to atomistic descriptions. The numerical modeling of the solar cell was conducted using TiberCAD Software and is based on the semiclassical drift-diffusion transport model, which consists of the continuity equations of electrons (2) and holes (3) coupled via the Poisson eq as follows: where x represents the spatial coordinate along the material stack, q represents the electronic charge, G represents the generation rate, D represents the diffusion coefficient, ε represents the dielectric permittivity, E represents the electric field, ϕ represents the electrostatic potential, n ( x ) represents the number of free electrons, p ( x ) represents the number of holes, n t ( x ) represents the number of trapped electrons, p t ( x ) represents the number of trapped holes, N d+ represents the ionized donor doping concentration, and N a– represents the acceptor ionized doping concentration.…”