Multifunctional histidine cross-linked interface toward efficient planar perovskite solar cells

Yan Li, Siqi Li, Yujie Shen, Xue Han, Yao Li, Yingchun Yu, Meilan Huang*, Xia Tao*

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

24 Citations (Scopus)
120 Downloads (Pure)

Abstract

Interface engineering mediated by a designed chemical agent is of paramount importance for developing high-performance perovskite solar cells (PSCs). It is especially critical for planar SnO2-based PSCs due to the presence of abundant surface defects on SnO2 and/or perovskite surfaces. Herein, a novel multifunctional agent histidine (abbreviated as His) capable of cross-linking SnO2 and perovskite is employed to modify the SnO2/perovskite interface. Density functional theory (DFT) calculations and experimental results demonstrate that the carboxylate oxygen of His can form a Sn–O bond to fill the oxygen vacancies on the surface of SnO2, while its positively charged imidazole ring can occupy the cationic vacancies and its −NH3+ group interacts with the I– ion on the perovskite lattice. This cross-linking contributes to the significantly decreased interfacial trap state density and nonradiative recombination loss. In addition, it facilitates electron extraction/transfer and also improves interfacial contact and the quality of perovskite film. Correspondingly, the His-modified device delivers a superior power conversion efficiency (PCE) of 22.91% (improved from 20.13%) and an excellent open-circuit voltage (Voc) of 1.17 V (improved from 1.11 V), along with significantly suppressed hysteresis. Furthermore, the unencapsulated device based on His modification shows much better humidity and thermal stability than the pristine one. The present work provides guidance for the design of innovative multifunctional interfacial material for highly efficient PSCs.

Original languageEnglish
Pages (from-to)47872–47881
Number of pages10
JournalACS Applied Materials and Interfaces
Volume14
Issue number42
Early online date12 Oct 2022
DOIs
Publication statusPublished - 26 Oct 2022

Keywords

  • defect passivation
  • interfacial modification
  • perovskite solar cells
  • histidine
  • density functional theory calculations

ASJC Scopus subject areas

  • General Materials Science

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