Integrating Molecular Extrusion and Antisolvent Bathing: Methoxy Number as a Key Parameter for Self-Assembled Monolayers in Perovskite Solar Cells

Integrating Molecular Extrusion and Antisolvent Bathing: Methoxy Number as a Key Parameter for Self-Assembled Monolayers in Perovskite Solar Cells Full article

Journal

ACS Applied Materials & Interfaces
ISSN: 1944-8244 , E-ISSN: 1944-8252

Output data

Year: 2026, Volume: 18, Number: 36, Pages: 49061–49072 Pages count : DOI: 10.1021/acsami.6c11329

Authors

You Rensong ^1,2 , Zuo Chuantian ² , Tretyakov Evgeny V. ³ , Xiao Zuo ² , Long Fei ¹ , Ding Liming ⁴

Affiliations

1	Guangxi Key Laboratory of Optical and Electronic Material and Devices, School of Materials Science and Engineering, Guilin University of Technology, Guilin 541000, China
2	Center for Excellence in Nanoscience (CAS), Key Laboratory of Nanosystem and Hierarchical Fabrication (CAS), National Center for Nanoscience and Technology, Beijing 100190, China
3	N.D. Zelinsky Institute of Organic Chemistry, Russian Academy of Sciences, Leninsky Ave. 47, Moscow 119991, Russian Federation
4	School of Chemical Engineering and Light Industry, Guangdong University of Technology, Guangzhou 510006, China

We directly incorporate self-assembled monolayers (SAM) into the perovskite precursor. Combined with antisolvent bathing, this approach enables one-step in situ molecular extrusion. By tuning the number of methoxy groups, we find that the mono-methoxy molecule 1MeO-4PACz exhibits optimal energy level alignment (HOMO = –5.36 eV), strong interfacial adhesion, and guides orderly perovskite crystallization, achieving an excellent balance between bulk and interfacial defects. The one-step device yields a power conversion efficiency of 22.35% and retains 90% of its initial efficiency after 1700 h in N2. In contrast, the tetra-methoxy molecule 4MeO-4PACz suffers from excessively strong coordination, becoming embedded in the bulk during crystallization and leading to increased defect density, resulting in a low efficiency of 6.87%. Two-step comparisons reveal the specific selectivity of the one-step process for molecular configuration. This work provides new insights into the design of SAM molecules toward scalable manufacturing.

You R. , Zuo C. , Tretyakov E.V. , Xiao Z. , Long F. , Ding L.
Integrating Molecular Extrusion and Antisolvent Bathing: Methoxy Number as a Key Parameter for Self-Assembled Monolayers in Perovskite Solar Cells
ACS Applied Materials & Interfaces. 2026. V.18. N36. P.49061–49072. DOI: 10.1021/acsami.6c11329 WOS Scopus OpenAlex

Submitted:	Jun 3, 2026
Published online:	Sep 16, 2026

≡ Web of science:	WOS:001865345100001
≡ Scopus:	2-s2.0-105051220079
≡ OpenAlex:	W7207828000