Intramolecular Electric Field Construction in Metal Phthalocyanine as Dopant‐Free Hole Transporting Material for Stable Perovskite Solar Cells with >21 % Efficiency

Yu, Zefeng; Wang, Luyao; Mu, Xijiao; Chen, Chun‐Chao; Wu, Yiying; Cao, Jing; Tang, Yu

doi:10.1002/ange.202016087

Title: Intramolecular Electric Field Construction in Metal Phthalocyanine as Dopant‐Free Hole Transporting Material for Stable Perovskite Solar Cells with >21 % Efficiency

Journal Article · Fri Feb 12 00:00:00 EST 2021 · Angewandte Chemie

DOI:https://doi.org/10.1002/ange.202016087· OSTI ID:1786143

Yu, Zefeng ^[1]; Wang, Luyao ^[2]; Mu, Xijiao ^[1]; Chen, Chun‐Chao ^[2]; Wu, Yiying ^[3];

^[1]; Tang, Yu ^[1]

State Key Laboratory of Applied Organic Chemistry Key Laboratory of Nonferrous Metal Chemistry and Resources Utilization of Gansu Province College of Chemistry and Chemical Engineering Lanzhou University Lanzhou 730000 P. R. China
School of Materials Science and Engineering Shanghai Jiao Tong University Shanghai 200240 P. R. China
Department of Chemistry and Biochemistry The Ohio State University 100 West 18th Avenue Columbus OH 43210 USA

Abstract Low conductivity and hole mobility in the pristine metal phthalocyanines greatly limit their application in perovskite solar cells (PSCs) as the hole‐transporting materials (HTMs). Here, we prepare a Ni phthalocyanine (NiPc) decorated by four methoxyethoxy units as HTMs. In NiPc, the two oxygen atoms in peripheral substituent have a modified effect on the dipole direction, while the central Ni atom contributes more electron to phthalocyanine ring, thus efficiently increasing the intramolecular dipole. Calculation analyses reveal the extracted holes within NiPc are mainly concentrated on the phthalocyanine core induced by the intramolecular electric field, and further to be transferred by π‐π stacking space channel between NiPc molecules. Finally, the best efficiency of PSCs with NiPc as dopant‐free HTMs realizes a record value of 21.23 % (certified 21.03 %). The PSCs also exhibit the good moisture, heating and light stabilities. This work provides a novel way to improve the performance of PSCs with free‐doped metal phthalocyanines as HTMs.

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Sponsoring Organization:: USDOE

Grant/Contract Number:: FG02-07ER46427

OSTI ID:: 1786143

Journal Information:: Angewandte Chemie, Journal Name: Angewandte Chemie Vol. 133 Journal Issue: 12; ISSN 0044-8249

Publisher:: Wiley Blackwell (John Wiley & Sons)Copyright Statement

Country of Publication:: Germany

Language:: English

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