Understanding the Heterointerfaces in Perovskite Solar Cells via Hole Selective Layer Surface Functionalization

Nath, B and Behera, SK and Kumar, J and Hemmerle, A and Fontaine, P and Ramamurthy, PC and Mahapatra, DR and Hegde, G (2023) Understanding the Heterointerfaces in Perovskite Solar Cells via Hole Selective Layer Surface Functionalization. In: Advanced Materials .

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Abstract

Interfaces in perovskite solar cells (PSCs) play a pivotal role in determining device performance by influencing charge transport and recombination. Understanding the physical processes at these interfaces is essential for achieving high-power conversion efficiency in PSCs. Particularly, the interfaces involving oxide-based transport layers are susceptible to defects like dangling bonds, excess oxygen, or oxygen deficiency. To address this issue, the surface of NiOx is passivated using octadecylphosphonic acid (ODPA), resulting in improved charge transport across the perovskite hole transport layer (HTL) interface. This surface treatment has led to the development of hysteresis-free devices with an impressive �13 increase in power conversion efficiency. Computational studies have explored the halide perovskite architecture of ODPA-treated HTL/Perovskite, aiming to unlock superior photovoltaic performance. The ODPA surface functionalization has demonstrated enhanced device performance, characterized by superior charge exchange capacity. Moreover, higher band-to-band recombination in photoluminescence and electroluminescence indicates presence of lower mid-gap energy states, thereby increasing the effective photogenerated carrier density. These findings are expected to promote the utilization of various phosphonic acid-based self-assembly monolayers for surface passivation of oxide-based transport layers in perovskite solar cells. Ultimately, this research contributes to the realization of efficient halide PSCs by harnessing the favorable architecture of NiOx interfaces. © 2023 Wiley-VCH GmbH.

Item Type:	Journal Article
Publication:	Advanced Materials
Publisher:	John Wiley and Sons Inc
Additional Information:	The copyright for this article belongs to John Wiley and Sons Inc.
Keywords:	Cell engineering; Charge transfer; Conversion efficiency; Electroluminescence; Nickel compounds; Oxygen; Passivation; Perovskite; Perovskite solar cells; Self assembly; Surface treatment, Device performance; Electroluminescence and photoluminescence; Hole transport layers; Interface engineering; Interfacial defect; Octadecylphosphonic acids; Power conversion efficiencies; Self assembly monolayers; Surface Functionalization; Transport layers, Photoluminescence
Department/Centre:	Division of Interdisciplinary Sciences > Centre for Biosystems Science and Engineering
Date Deposited:	01 Mar 2024 05:24
Last Modified:	01 Mar 2024 05:24
URI:	https://eprints.iisc.ac.in/id/eprint/83766

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