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Pyridine-functionalized Fullerene Additive Enabling Coordination Interactions with CH3NH3PbI3 Perovskite towards Highly Efficient Bulk Heterojunction Solar Cells

Abstract

Incorporating n-type fullerene derivatives into the perovskite layer affording bulk heterojunction (BHJ) perovskite solar cells (PSCs) is an effective strategy to passivate trap state, consequently reducing the current-voltage hysteresis and improving the device performance. Herein, we report the synthesis of a novel pyridine-functionalized fullerene derivative (C60-PyP) via a 1, 3-dipolar cycloaddition reaction, and the unambiguous determination of its molecular structure by X-ray single crystal diffraction. Upon incorporating C60-PyP as an additive with an optimized doping ratio of 0.13 wt% into CH3NH3Pbl3 (MAPbI3) perovskite precursor, the regular-structure bulk heterojunction PSC devices exhibit a best power conversion efficiency (PCE) of 19.82%, which is dramatically enhanced relative to that of the control devices (17.61%). C60-PyP additive renders heterogeneous nucleation sites, leading to the decrease of the nucleation Gibbs free energy and consequently enlarged grain size and improved crystallization of MAPbI3 perovskite film. Besides, incorporation of C60-PyP results in enhanced crystalline orientation as confirmed by grazing-incidence X-ray diffraction (GIXRD) measurement. Meanwhile, the coordination interaction between the N atom of the pyridine moiety within C60-PyP and Pb2+ ion within MAPbl3 leads to the passivation of trap states of perovskite layer, jointly contributing to the improved device performance and markedly suppressed current-voltage hysteresis. Moreover, the ambient stability of the devices is improved upon C60-PyP incorporation due to the hydrophobic nature of C60-PyP molecule, which presumably reside at the grain boundaries.

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Publication details

The article was received on 18 Dec 2018, accepted on 09 Jan 2019 and first published on 09 Jan 2019


Article type: Paper
DOI: 10.1039/C8TA12206G
Citation: J. Mater. Chem. A, 2019, Accepted Manuscript
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    Pyridine-functionalized Fullerene Additive Enabling Coordination Interactions with CH3NH3PbI3 Perovskite towards Highly Efficient Bulk Heterojunction Solar Cells

    J. Zhen, W. Zhou, M. Chen, B. Li, L. Jia , M. Wang and S. Yang, J. Mater. Chem. A, 2019, Accepted Manuscript , DOI: 10.1039/C8TA12206G

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