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Title: Pentadiamond: a highly efficient electron transport layer for perovskite solar cells
Authors: Zhou, Kun
Sun, Ping-Ping
Kripalani, Devesh Raju
Bai, Lichun
Chi, Weijie
Keywords: Engineering::Materials
Issue Date: 2021
Source: Zhou, K., Sun, P., Kripalani, D. R., Bai, L. & Chi, W. (2021). Pentadiamond: a highly efficient electron transport layer for perovskite solar cells. Journal of Physical Chemistry C, 125(9), 5372-5379.
Journal: Journal of Physical Chemistry C
Abstract: Rapid improvements in the power conversion efficiency of perovskite solar cells (PSCs), to as high as 25.5%, have aroused great interest in perovskite-based systems. Nevertheless, for achieving highly efficient photovoltaic performance, a persistent challenge lies in carrier extraction at the interface between the perovskite and electron transport layers, which requires that the electron transport material (ETM) should possess high carrier mobility and a small energy level offset with the perovskite. Herein, we find that pentadiamond, a new carbon phase, is a highly efficient ETM that could exhibit desirable photovoltaic performance by enhancing the interface carrier extraction. Based on first-principles calculations, pentadiamond displays a semiconducting nature with an indirect bandgap of 2.46 eV. A favorable band alignment at the pentadiamond/MAPbI3 interface demonstrates a large driving force for the interface electron transfer. Furthermore, the calculated electron mobility of pentadiamond can be as high as 351.72 cm2 s-1 V-1, thus highlighting its outstanding electron transport capability. Interestingly, the calculated transferred charge across the interface between MAPbI3 and pentadiamond reaches 1.29 electrons, indicating the rather high interface transport capacity. Such interesting findings feature pentadiamond as a highly efficient ETM with great prospects and applications in PSCs.
ISSN: 1932-7447
DOI: 10.1021/acs.jpcc.0c11446
Schools: School of Mechanical and Aerospace Engineering 
Research Centres: Nanyang Environment and Water Research Institute 
Environmental Process Modelling Centre 
Rights: © 2021 American Chemical Society. All rights reserved.
Fulltext Permission: none
Fulltext Availability: No Fulltext
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