Simultaneous Passivation of Perovskite Interfaces at Multiple Active Sites Improves Device Performance: Combining Theory and Experiment

Li Liu; Huan Bi; Yongheng Chen; Xifang Chen; Pengyu Su; Gongfa Li; Hanjun Zou; Zao Yi

doi:10.1021/acs.jpclett.3c03352

Simultaneous Passivation of Perovskite Interfaces at Multiple Active Sites Improves Device Performance: Combining Theory and Experiment

J Phys Chem Lett. 2024 Jan 25;15(3):766-772. doi: 10.1021/acs.jpclett.3c03352. Epub 2024 Jan 16.

Authors

Li Liu¹, Huan Bi², Yongheng Chen¹, Xifang Chen¹, Pengyu Su³, Gongfa Li⁴, Hanjun Zou⁵, Zao Yi¹

Affiliations

¹ Joint Laboratory for Extreme Conditions Matter Properties, School of Mathematics and Physics, Southwest University of Science and Technology, Mianyang, People's Republic of China, 621010.
² Graduate School of Informatics and Engineering, The University of Electro-Communications, Tokyo, Japan, 182-8585.
³ School of Electronic Information Engineering, Yangtze Normal University, Chongqing, People's Republic of China, 408100.
⁴ Hubei Key Laboratory of Mechanical Transmission and Manufacturing Engineering, Wuhan University of Science and Technology, Wuhan, People's Republic of China, 430081.
⁵ Analytical and Testing Center, Chongqing University, Chongqing, P. R. China. 401331.

PMID: 38227448
DOI: 10.1021/acs.jpclett.3c03352

Abstract

A multisite interface passivation material named 2-mercapto-4-methyl-5-thiazoleacetic acid (MMTA) is used to optimize the perovskite film top interface. DFT calculations and experiments show that MMTA can effectively passivate interface defects. Finally, the champion device's photoelectric conversion efficiency reached 23.44%, which possessed long-term stability.