Research Paper: Drift-diffusion modeling of perovskite solar cells: past and future possibilities
Scientific Summary
This review critically examines the evolution of drift-diffusion (DD) modeling for perovskite solar cells (PSCs), aiming to guide the development of robust, scalable, and physically grounded models. While DD modeling is crucial for understanding device physics and dynamic phenomena that are experimentally challenging, most current models rely on oversimplified assumptions. Key limitations include inadequate representation of interfaces, doping, mobilities, ionic migration, device architecture, J-V hysteresis, and performance degradation. The review proposes enhancing model accuracy by incorporating advanced sub-models for degradation, ionic trapping, grain boundaries, photon recycling, and quantum effects. It emphasizes integrating generation/annihilation of ionic defects and combining time/frequency domain analysis to predict both short- and long-term degradation.
Why it Matters
This comprehensive review is crucial for accelerating the commercialisation and optimization of high-efficiency PSCs. By systematically identifying the limitations of existing DD models and proposing future pathways, it provides a vital roadmap for researchers to develop more accurate and predictive simulation tools. This will enable a deeper understanding of complex phenomena like stability issues, J-V hysteresis, and performance degradation, thereby accelerating the rational design of next-generation perovskite technology.
Publication Details
Singh, A. and Gagliardi, A. (2025), Drift-diffusion modeling of perovskite solar cells: past and future possibilities. EES Solar. DOI: https://doi.org/10.1039/D5EL00040H (Received 25th March 2025; Accepted 15th August 2025).
Fluxim Tools Used
The review paper lists Fluxim as one of several commercial and open-source tools implementing DD modeling for PSCs. It specifically cites a study by Neukom et al. (ref. 51 in the paper) which used Setfos 4.6 from Fluxim for steady-state, transient, and frequency-domain analysis of PSCs. This referenced study employed Setfos to investigate interface recombination processes modulated by mobile ions. It’s mention of Setfos highlights the software's capability, as demonstrated in other research, to perform multi-domain (steady-state, transient, frequency) analysis critical for understanding complex phenomena like ion-modulated interface recombination in PSCs. This showcases the utility of such advanced simulation tools in providing in-depth physical insights beyond what experimental techniques alone can achieve.