Volume 19, Issue 25 2207755
Research Article

Improving Out-of-Plane Charge Mobility and Phase Stability of Dion-Jacobson Lead-Free Perovskites via Intercalating π-Conjugated Aromatic Spacers

Qian Sun

Qian Sun

Institute of Micro/Nano Materials and Devices, Ningbo University of Technology, Ningbo, 315211 P. R. China

Innovation Research Institute for Carbon Neutrality, University of Science and Technology Beijing, Beijing, 100083 P. R. China

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Ming-Hui Shang

Corresponding Author

Ming-Hui Shang

Institute of Micro/Nano Materials and Devices, Ningbo University of Technology, Ningbo, 315211 P. R. China

E-mail: [email protected]; [email protected]; [email protected]

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Zhi Fang

Zhi Fang

Institute of Micro/Nano Materials and Devices, Ningbo University of Technology, Ningbo, 315211 P. R. China

School of Materials Science and Engineering, Peking University, Beijing, 100091 P. R. China

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Yapeng Zheng

Yapeng Zheng

Institute of Micro/Nano Materials and Devices, Ningbo University of Technology, Ningbo, 315211 P. R. China

Innovation Research Institute for Carbon Neutrality, University of Science and Technology Beijing, Beijing, 100083 P. R. China

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Xinmei Hou

Corresponding Author

Xinmei Hou

Innovation Research Institute for Carbon Neutrality, University of Science and Technology Beijing, Beijing, 100083 P. R. China

E-mail: [email protected]; [email protected]; [email protected]

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Weiyou Yang

Corresponding Author

Weiyou Yang

Institute of Micro/Nano Materials and Devices, Ningbo University of Technology, Ningbo, 315211 P. R. China

E-mail: [email protected]; [email protected]; [email protected]

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First published: 18 March 2023
Citations: 4

Abstract

The layered quasi-2D perovskites are recognized as one of the effective strategies to resolve the big problem of intrinsic phase instability of the perovskites. However, in such configurations, their performance is fundamentally limited due to the correspondingly weakened out-of-plane charge mobility. Herein, the π-conjugated p-phenylenediamine (PPDA) is introduced as organic ligand ions for rationally designing lead-free and tin-based 2D perovskites with the aid of theoretical computation. It is evidenced that both out-of-plane charge transport capacity and stability can be significantly enhanced within as-established quasi-2D Dion-Jacobson (DJ) (PPDA)Csn-1SnnI3n+1 perovskites. The obviously increased electrical conductivity and reduced carrier effective masses are attributed to the enhanced interlayer interactions, limited structural distortions of diamine cations, as well as improved orbital coupling between Sn2+ and I ions of (PPDA)Csn-1SnnI3n+1 perovskites. Accordingly, by dimension engineering of the inorganic layer (n), the bandgap (Eg) of quasi-2D perovskites can be linearly tailored toward the suitable Eg (1.387 eV) with optimal photoelectric conversion efficiency (PCE) of 18.52%, representing their great potential toward promising applications in advanced solar cells.

Conflict of Interest

The authors declare no conflict of interest.

Data Availability Statement

The data that support the findings of this study are available in the supplementary material of this article.

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