TY  - JOUR
AU  - Majewski, M.
AU  - Qiu, S.
AU  - Ronsin, O.
AU  - Lüer, L.
AU  - Le Corre, V. M.
AU  - DU, Tian
AU  - Brabec, C. J.
AU  - Egelhaaf, Hans-Joachim
AU  - Harting, J.
TI  - Simulation of perovskite thin layer crystallization with varying evaporation rates
JO  - Materials Horizons
VL  - 12
IS  - 2
SN  - 2051-6347
CY  - Cambridge
PB  - RSC Publ.
M1  - FZJ-2024-06512
SP  - 555-564 
PY  - 2025
AB  - Perovskite solar cells (PSC) are promising potential competitors to established photovoltaic technologies due to their superior efficiency and low-cost solution processability. However, the limited understanding of the crystallization behaviour hinders the technological transition from lab-scale cells to modules. In this work, advanced phase field (PF) simulations of solution-based film formation are used for the first time to obtain mechanistic and morphological information that is experimentally challenging to access. The well-known transition from a film with many pinholes, for a low evaporation rate, to a smooth film, for high evaporation rates, is recovered in simulation and experiment. The simulation results provide us with an unprecedented understanding of the crystallization process. They show that supersaturation and crystallization confinement effects determine the final morphology. The ratio of evaporation to crystallization rates turns out to be the key parameter driving the final morphology. Increasing this ratio is a robust design rule for obtaining high-quality films, which we expect to be valid independently of the material type.
LB  - PUB:(DE-HGF)16
C6  - 39495118
UR  - <Go to ISI:>//WOS:001346976500001
DO  - DOI:10.1039/D4MH00957F
UR  - https://juser.fz-juelich.de/record/1033640
ER  -