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Engineering of Volatile Cations in Tetrafluoroborate-Based Spontaneous Heterointerface Modulators for Perovskite
Daisuke Kubota1,2, Ryuzi Katoh3, Hiroyuki Yaguchi2
1National Institute of Advanced Industrial Science and Technology (AIST), 1-1-1 Higashi, Tsukuba, Ibaraki 305-8565, Japan.
ACS Applied Materials & Interfaces
|October 23, 2025
Summary
Spontaneous heterointerface modulators (SHMs) improve perovskite solar cells (PSCs). A new strategy uses volatile components in SHMs to overcome concentration sensitivity, enhancing PSC efficiency and device engineering.
Area of Science:
- Materials Science
- Renewable Energy
- Photovoltaics
Background:
- Perovskite solar cells (PSCs) require defect modulation at heterointerfaces for high efficiency.
- Spontaneous heterointerface modulators (SHMs) enhance PSC fabrication but suffer from concentration sensitivity.
Purpose of the Study:
- To develop a general strategy to mitigate the concentration sensitivity of SHMs.
- To engineer volatile cations in tetrafluoroborate (BF4)-based SHMs for improved PSC performance.
Main Methods:
- Utilizing volatile cations (ammonium, methylammonium, formamidinium) in BF4-based SHMs as additives for formamidinium lead halide (FAPbI3) perovskite photoabsorbers.
- Comparing the effects of different cation volatilities on SHM functionality and PSC performance.
- Analyzing the concentration sensitivity of various BF4-based SHMs.
Main Results:
- All tested BF4-based SHMs, when used in optimal amounts, effectively enhanced PSC photovoltaic performance.
- The tetrafluoroborate (BF4-) anion was identified as crucial for optimal SHM functionality.
- NH4BF4, containing the most volatile cation, exhibited the most moderate concentration sensitivity, validating the proposed strategy.
Conclusions:
- Leveraging the volatility of SHM components offers a viable strategy to address concentration sensitivity issues in SHMs.
- This material design approach can lead to broader implementation of spontaneous heterointerface modulation techniques in PSCs.
- Innovations in SHM design, enabled by this strategy, will promote the development of high-performance perovskite solar cells.

