The Role of Additives in Efficient and Stable Perovskite Solar Cells: Atomistic Insights from Both Experiments and DFT Simulations

Shuxia Tao^a

^aEindhoven University of Technology, Department of Applied Physics, 5600MB, Eindhoven, Netherlands

NIPHO
Proceedings of International Conference on Perovskite Thin Film Photovoltaics and Perovskite Photonics and Optoelectronics (NIPHO20)

Sevilla, Spain, 2020 February 23rd - 25th

Organizer: Hernán Míguez

Oral, Shuxia Tao, presentation 012
DOI: https://doi.org/10.29363/nanoge.nipho.2020.012
Publication date: 25th November 2019

Perovskite solar cells have gained prominence for their high efficiency and ease of fabrication, yet are hampered by instability. While ion mixing improves device efficiency and stability in general, recent work is demonstrating that incorporation of ions of particularly small or large size (via applying additives in the fabrication process) enhances both further. However there is a lack of understanding of the mysterious mechanisms through which these ions modify material properties (either in the bulk or grain boundaries) or alter the crystallization pathways. In this talk, I will outline recent advances in material characterization (from both experiments and atomistic simulations using DFT) of the impact of several additives (organic salts (PEAI, BAI, GAI) or inorganic salts (alkali halide)) and investigate how they modify the microstructure of the perovskites. I will also discuss the proposed mechanisms and their prospects in the evolution of efficiency and long term stability perovskite solar cells.

References:

[1] Y. Zhou, H. Xue, Y. H. Jia, G. Brocks, S. Tao and Ni Zhao, Enhanced incorporation of Guanidium in Formamidinium-based perovskites for efficient and stable photovoltaics: the role of Cs and Br, Advanced Functional Materials, 2019, 1905739.

[2] N. Li, S. Tao, Y. Chen, X. Niu, C. Onwudinanti, G. Brocks, Q. Chen, H. Zhou et al, Cation and anion immobilization through chemical bonding enhancement with fluorides for stable halide perovskite solar cells, Nature Energy, 4, 408–415 (2019).

[3] J. Cao, S. Tao, P. A. Bobbert, C. P. Wong, N. Zhao, Interstitial Occupancy by Extrinsic Alkali Cations in Perovskites and Its Impact on Ion Migration, 2018, Advanced Materials, 30, 1707350 (2018)..

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