Materials Design and Compositional Engineering for Organic-Inorganic Hybrid Perovskite Solar Cells
Baomin Xu a
a Department of Materials Science and Engineering, Southern University of Science and Technology, Shenzhen 518055, China
Proceedings of International Online Conference on Hybrid Materials and Optoelectronic Devices (HYBRIDOE21)
Online, Spain, 2021 December 15th - 17th
Organizers: Jinwei Gao, Hua Yu, Dewei Zhao, Haizheng Zhong, Hairen Tan and Xueqing Xu
Invited Speaker, Baomin Xu, presentation 007
DOI: https://doi.org/10.29363/nanoge.hybridoe.2021.007
Publication date: 3rd December 2021

In this talk, I will introduce some works of our group on materials design and compositional engineering for high efficiency and highly stable perovskite solar cells (PSCs). First, through molecular design for hole transporting materials (HTMs), we developed a new, dopant-free conjugated polymer HTM called DTB with very simple molecule structure but excellent abilities both on defect passivation and on hole extraction. The DTB based PSC has the PCE of 19.68% and the JSC achieved 25.75 mA/cm2, which was the world's highest level based on the dopant-free organic HTLs. Then we further developed an "inorganic/organic" double-layer HTL, achieving 22.0% efficiency with excellent light, humidity and temperature stabilities. Secondly, through material design of the perovskite absorb layer, we successfully incorporated GABr into the perovskite material which can suppress the oxidation of Sn2+ ions. Consequently, the ideal-bandgap (1.35eV) Sn/Pb perovskite solar cells with GABr doping can have the PCE of 20.6%, which is the highest efficiency among all values reported to date for ideal-bandgap Sn/Pb PSCs. In addition, we developed an in-situ green approach utilizing nontoxic cetyltrimethylammonium chloride (CTAC) and isopropanol (IPA) as anti-solvent to effectively passivate both surface and grain boundary defects in hybrid perovskites. Anion vacancies can be readily passivated by the chloride group due to its high electronegativity, and cation defects can be synchronously passivated by the more stable cetyltrimethylammonium group, which leads to the cell device with 23.4% PCE and excellent light, humidity and temperature stabilities. Thirdly, we developed a high-throughput inkjet printing based technique for high speed perovskite composition screening, which can fabricate 30-50 high-quality mixed perovskite films in several minutes, and the corresponding film properties database allowed to accelerate the screening and optimization of perovskite compositions. As a demonstration, we screened 30 tribromide perovskite materials, and these accelerated optimized novel compositions yielding a high open-circuit voltage exceeding 1.6 V.

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