Thienoacene-bonded interphase stabilizes hole-selective contacts for efficient perovskite solar cells
Lirong Rong b, Yen-Hung Lin b, Xiaoming Chang b, Wing Tung Hui b
a Department of Electronic and Computer Engineering, The Hong Kong University of Science and Technology, Clear Water Bay, Kowloon, Hong Kong SAR
b State Key Laboratory of Displays and Optoelectronics, The Hong Kong University of Science and Technology, Clear Water Bay, Kowloon, Hong Kong SAR
Oral, Lirong Rong, presentation 042
Publication date: 22nd October 2026

Self-assembled monolayers (SAMs) have become the preferred hole-selective contact for inverted-structure perovskite solar cells (PSCs). However, the molecular-scale bottom SAMs/perovskite interface is highly vulnerable to the combined effects of photochemistry, heat, and mechanical stress, making it the main failure site that limits device stability. This work proposes an integrated strategy of interface molecular sealing: anchoring the phosphonic acid-based SAMs on the ITO substrate and covering it with a thin layer of p-type sulfur-containing heterocyclic organic semiconductor to construct a molecularly bonded hole-transport laminate. This bilayer composite passivates interfacial defects and suppresses non-radiative recombination through S–Pb coordination, while the densely packed organic film acts as a halide migration barrier that inhibits iodide accumulation at the interface and markedly enhances the mechanical toughness of the buried interface. Together, these effects transform the originally fragile buried contact into a mechanically robust, chemically protected, and electronically homogeneous interface, decoupling charge extraction from interfacial stabilization. Single-junction cells employing this architecture achieve a certified efficiency of 27.74% (with a stabilized output of 27.51%) and retain 80% of their initial performance after more than 1100 h of maximum power point tracking at 65 °C under full-spectrum illumination. This work establishes interfacial molecular capping as a general route to improving the durability of perovskite photovoltaics, directly targeting the dominant failure mechanism of inverted devices and offering a viable pathway toward commercial stability.

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