Exploring Additives for Crystallization and Stabilization of Halide Perovskites in Solar Cells
MADHUBANTI MUKHERJEE a, NIKOLAS LEMPESIS a, VIRGINIA CARNEVALI a, VLADISLAV SLAMA a, ANDREA VEZZOSI a, Ursula Röthlisberger a
a Ecole Polytechnique Federale de Lausanne (EPFL), Lausanne, Switzerland
Proceedings of International Conference on Hybrid and Organic Photovoltaics (HOPV25)
Roma, Italy, 2025 May 12th - 14th
Organizers: Filippo De Angelis, Francesca Brunetti and Claudia Barolo
Poster, MADHUBANTI MUKHERJEE, 267
Publication date: 17th February 2025

Halide perovskites have emerged as highly promising materials for next-generation photovoltaics due to their excellent optical absorption, long carrier diffusion lengths, and tunable bandgaps. Despite rapid improvements in power conversion efficiency, issues related to long-term stability and uncontrolled crystallization continue to impede their commercialization. Additive engineering presents an effective strategy to overcome these challenges by regulating crystallization dynamics, improving film morphology, enhancing phase stability, and facilitating efficient charge transport. In this work, we investigate the role of F- and NH3 based molecular additives in tailoring the crystallization pathways and stabilizing halide perovskite structures. We employ a combination of ab initio and classical molecular dynamics simulations to analyze additive–perovskite interactions and the interaction of these additives with charge transport layers (ETL and HTL) to assess their impact on overall device performance. Our findings, supported by comparison with experimental data, offer valuable insights into additive-driven design strategies for enhancing the stability and efficiency of perovskite solar cells.

© FUNDACIO DE LA COMUNITAT VALENCIANA SCITO
We use our own and third party cookies for analysing and measuring usage of our website to improve our services. If you continue browsing, we consider accepting its use. You can check our Cookies Policy in which you will also find how to configure your web browser for the use of cookies. More info