Enhancing charge carrier extraction and energy band alignment in perovskite solar cells using interfacial passivation with polar organic molecules

Ni Zhang; Can Wang; Tinghao Li; Yuheng Li; Xuteng Yu; Lusheng Liang; Hongli Bao; Peng Gao

Chemistry of Inorganic Materials (Apr 2024)

Enhancing charge carrier extraction and energy band alignment in perovskite solar cells using interfacial passivation with polar organic molecules

Ni Zhang,
Can Wang,
Tinghao Li,
Yuheng Li,
Xuteng Yu,
Lusheng Liang,
Hongli Bao,
Peng Gao

Affiliations

Ni Zhang: Xiamen Key Laboratory of Rare Earth Photoelectric Functional Materials, Chinese Academy of Science, Xiamen, 361021, Fujian, China; Laboratory for Advanced Functional Materials, Xiamen Institute of Rare Earth Materials, Haixi Institute, Chinese Academy of Sciences, Xiamen, 361021, China
Can Wang: Xiamen Key Laboratory of Rare Earth Photoelectric Functional Materials, Chinese Academy of Science, Xiamen, 361021, Fujian, China; Laboratory for Advanced Functional Materials, Xiamen Institute of Rare Earth Materials, Haixi Institute, Chinese Academy of Sciences, Xiamen, 361021, China; State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences Fuzhou, Fujian, 350002, China
Tinghao Li: Xiamen Key Laboratory of Rare Earth Photoelectric Functional Materials, Chinese Academy of Science, Xiamen, 361021, Fujian, China; Laboratory for Advanced Functional Materials, Xiamen Institute of Rare Earth Materials, Haixi Institute, Chinese Academy of Sciences, Xiamen, 361021, China
Yuheng Li: Xiamen Key Laboratory of Rare Earth Photoelectric Functional Materials, Chinese Academy of Science, Xiamen, 361021, Fujian, China; Laboratory for Advanced Functional Materials, Xiamen Institute of Rare Earth Materials, Haixi Institute, Chinese Academy of Sciences, Xiamen, 361021, China
Xuteng Yu: Xiamen Key Laboratory of Rare Earth Photoelectric Functional Materials, Chinese Academy of Science, Xiamen, 361021, Fujian, China; Laboratory for Advanced Functional Materials, Xiamen Institute of Rare Earth Materials, Haixi Institute, Chinese Academy of Sciences, Xiamen, 361021, China; State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences Fuzhou, Fujian, 350002, China
Lusheng Liang: Xiamen Key Laboratory of Rare Earth Photoelectric Functional Materials, Chinese Academy of Science, Xiamen, 361021, Fujian, China; Laboratory for Advanced Functional Materials, Xiamen Institute of Rare Earth Materials, Haixi Institute, Chinese Academy of Sciences, Xiamen, 361021, China
Hongli Bao: State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences Fuzhou, Fujian, 350002, China; University of Chinese Academy of Sciences, Beijing, 100049, China
Peng Gao: Xiamen Key Laboratory of Rare Earth Photoelectric Functional Materials, Chinese Academy of Science, Xiamen, 361021, Fujian, China; Laboratory for Advanced Functional Materials, Xiamen Institute of Rare Earth Materials, Haixi Institute, Chinese Academy of Sciences, Xiamen, 361021, China; University of Chinese Academy of Sciences, Beijing, 100049, China; Corresponding author. Xiamen Key Laboratory of Rare Earth Photoelectric Functional Materials, Chinese Academy of Science, Xiamen, 361021, Fujian, China.

Journal volume & issue: Vol. 2
p. 100031

Abstract

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The wide utilization of perovskite material as an absorber layer in solar cells necessitates favorable alignment with the perovskite's conduction band, governed by FTO/TiO2 (SnO2). Instead of an ideal electric-selective contact, further improvement of the hole-selective contact is crucial to enhance hole extraction and minimize carrier recombination at the interface between perovskite and spiro-OMeTAD. In this study, we employed series of polar organic molecules [2,4-dimethyl-6,8-bis(4-(methylthio)phenyl)pyrrolo [1,2-a]pyrimidine-7-carbonitrile (PCNS), 2,4-dimethyl-6,8-diphenylpyrrolo [1,2-a]pyrimidine-7-carbonitrile (PCN), and 2,4-dimethyl-6-8-(pyren-1-yl)pyrrolo [1,2-a]pyrimidine-7-carbonitrole (PCNP)] with cyano groups as the interfacial passivate layer to facilitate energy band matching between the perovskite and the hole transport layer as confirmed by the energy band bending at the perovskite surface. Consequently, we achieved effective charge carrier extraction and suitable bandgap alignment. A detailed comparative analysis of the photophysical and electrical properties among the three molecules elucidated the origin of higher open circuit voltage (1.18 V) and improved fill factor (83.15 %) in the solar cell device based on PCN molecule (24.22 %).

Published in Chemistry of Inorganic Materials

ISSN: 2949-7469 (Online)
Publisher: Elsevier
Country of publisher: Netherlands
LCC subjects: Science: Chemistry: Inorganic chemistry
Website: https://www.sciencedirect.com/journal/chemistry-of-inorganic-materials

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