journal article·2026-02-17

Hole-Selective Monolayer Molecules with Spatially Separated Carrier Orbitals and Twisted π-Skeleton for Inverted Perovskite Solar Cells and Modules

Tianhao Wu, Telugu Bhim Raju, Hengji Li, Juan Shang, Qianwen Cao, Lifang Wu, Khongorzul Narmandakh, Jun Tae Song, Aleksandar Staykov, Chengxi Zhang, Qiankai Ba, Luyao Zhao, Riming Nie, Pangpang Wang, Sunao Yamada, Hongliang Dong, Yanbo Wang, Shenghao Wang, Toshinori Matsushima, Zhanglin Guo

ACS Nano· Volume 20· Issue 6
Publisher page

Abstract

The development of monolayer hole-selective contacts has proven to be an effective strategy for enhancing the performance and scalability of inverted perovskite solar cells (PSCs). However, current monolayer molecules often suffer from limited charge separation and extraction capabilities due to their small π-conjugated domains, localized carrier orbitals, and weak interfacial binding with substrates. Here, we report a molecular design featuring a double donor–acceptor (D–A) conjugated architecture with an enhanced push–pull effect, spatially separated carrier orbitals for efficient hole extraction and electron blocking, bifacial anchoring for strong binding to both metal oxide substrates and perovskite layers, and a twisted π-skeleton that suppresses self-aggregation and ensures homogeneous monolayer distribution. By replacing conventional [2-(9H-carbazol-9yl)ethyl]phosphonic acid (2PACz) with this double D–A-type monolayer, the PCE improves from 23.69% to 25.61% (certified 25.11%) in small-area PSCs, while large-area perovskite modules (active area of 10.04 cm 2 ) achieve a high PCE of 21.40%. Notably, the devices exhibit excellent operational stability under continuous illumination (100 mW cm –2 ) at an elevated temperature (85 °C), maintaining 84.9% of the initial efficiency after 1000 h.
Source: openalex_inverted_index · Quality: baseline

Research context

OpenAlex topics: Perovskite Materials and Applications · Organic Electronics and Photovoltaics · Organic Light-Emitting Diodes Research

SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.

Affiliations

International Institute for Carbon-Neutral Energy Research (WPI-I2CNER), Kyushu University, 744 Motooka, Nishi, Fukuoka 819-0395, Japan

Materials Genome Institute (MGI)

Shanghai University

Center for Energy Systems Design (CESD), International Institute for Carbon-Neutral Energy Research (WPI-I2CNER), Kyushu University, 744 Motooka, Nishi, Fukuoka 819-0395, Japan

Department of Automotive Science, Graduates School of Integrated Frontier Sciences, Kyushu University, 744 Motooka, Nishi, Fukuoka 819-0395, Japan

School of Science

Jiangsu University of Science and Technology

Shanghai Shengjian Technology Co., Ltd.

State Key Laboratory of Mechanics and Control of Mechanical Structures, Key Laboratory for Intelligent Nano Materials and Devices of the Ministry of Education, Institute for Frontier Science

Nanjing University of Aeronautics and Astronautics

Materials Open Lab.

Institute of Systems, Information Technologies and Nanotechnologies (ISIT)

Center for High Pressure Science and Technology Advanced Research

State Key Laboratory of Metal Matrix Composites

Shanghai Jiao Tong University

School of Materials Science and Engineering

Hainan University

Funding

New Energy and Industrial Technology Development Organization · Ministry of Education, Culture, Sports, Science and Technology · Asahi Glass Foundation · Kyushu University · National Natural Science Foundation of China · Shanghai Synchrotron Radiation Facility · Mitsui Chemicals, Inc.

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