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Performance improvement of MXene-based perovskite solar cells upon property transition from metallic to semiconductive by oxidation of Ti₃C₂Tₓ in air

Yang, L; Kan, D; Dall'Agnese, C; Dall'Agnese, Y; Wang, B; Jena, AK; Wei, Y; ... Miyasaka, T; + view all (2021) Performance improvement of MXene-based perovskite solar cells upon property transition from metallic to semiconductive by oxidation of Ti₃C₂Tₓ in air. Journal of Materials Chemistry A , 9 (8) pp. 5016-5025. 10.1039/d0ta11397b. Green open access

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Abstract

The unique properties of MXenes that arise from terminating functional groups and oxidation of MXenes make them attractive for application in photovoltaic devices like perovskite solar cells (PSCs). Here, oxidation of Ti3C2Tx hydrocolloid was carried out to tune its properties desirable for an electron transport layer (ETL) in low-temperature processed PSCs. The calculations of the energy levels were carried out using the Vienna ab initio simulation package (VASP) code based on density functional theory (DFT). Oxidation of Ti_{3}C_{2}T_{x} can generate Ti–O bonds and effectively reduce the macroscopic defects of the film fabricated by spin-coating, while a transition from metallic material to semiconductor occurred after heavy oxidation. A better matching of energy levels between perovskite and ETL layer in the case of a hybrid of oxidized and pristine Ti_{3}C_{2}T_{x} renders a champion power conversion efficiency (PCE) of 18.29%. The improvement in PCE can be attributed to the increased electron mobility in the ETL, which promotes electron transport and reduces the electron–hole recombination. Hence, by presenting a simple method for high performance in PSCs by MXene-derived materials, this work demonstrates the great potential of these materials for applications in low-temperature processed PSCs and other photovoltaic technologies.

Type: Article
Title: Performance improvement of MXene-based perovskite solar cells upon property transition from metallic to semiconductive by oxidation of Ti₃C₂Tₓ in air
Open access status: An open access version is available from UCL Discovery
DOI: 10.1039/d0ta11397b
Publisher version: https://doi.org/10.1039/d0ta11397b
Language: English
Additional information: This version is the author accepted manuscript. For information on re-use, please refer to the publisher's terms and conditions.
UCL classification: UCL
UCL > Provost and Vice Provost Offices > UCL BEAMS
UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences
UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences > MAPS Faculty Office
UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences > MAPS Faculty Office > Institute for Materials Discovery
URI: https://discovery.ucl.ac.uk/id/eprint/10126027
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