Thermal-Cycling Stability of Wide-Bandgap Pb Perovskite Solar Cells Enabled by 4PADCB-Modified NiOₓ
Huan Bi a, Qing Shen a, Takeshi Gotanda b, Mengmeng Chen b, Shuzi Hayase a
a i-Powered Energy System Research Center (i-PERC), The University of Electro-Communications
b Toshiba Corporation, 1, Komukai-Toshiba-cho, Saiwai-ku, Kawasaki, 212, Japan
Oral, Huan Bi, presentation 038
Publication date: 22nd October 2026

Wide-bandgap Pb perovskite solar cells are promising candidates for tandem photovoltaic applications; however, their long-term operational reliability remains strongly limited by interfacial instability under temperature fluctuations. In this work, we investigate the effect of self-assembled molecular modifiers on the thermal-cycling stability of wide-bandgap Pb perovskite solar cells employing NiOₓ as the hole-selective contact. NiOₓ surfaces were modified with three molecules, namely 4PACz, Me-4PACz, and 4PADCB, and the resulting devices were evaluated under repeated thermal cycling between −40 and 85 °C.

Among the investigated modifiers, 4PADCB provided the most robust interfacial stability and enabled substantially improved device durability during thermal cycling. The 4PADCB-modified devices retained good power-conversion efficiency after the cycling test, demonstrating their superior tolerance to repeated thermal stress. In contrast, devices based on 4PACz and Me-4PACz exhibited pronounced performance degradation. This degradation was accompanied by interfacial delamination, which weakened the contact between functional layers and accelerated the deterioration of both the perovskite films and the complete devices.

These results indicate that the molecular structure of the interfacial modifier plays a critical role in maintaining interfacial integrity under severe temperature variations. In particular, 4PADCB effectively suppresses thermally induced interfacial failure and improves the thermal-cycling durability of wide-bandgap Pb perovskite solar cells. This study provides an interfacial design strategy for developing more reliable wide-bandgap perovskite photovoltaics for tandem solar-cell applications.

This work was supported by the New Energy and Industrial Technology Development Organization (NEDO), Japan.

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