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Dissecting the Role of the Hole-Transport Layer in Cu2 AgBiI6 Solar Cells : An Integrated Experimental and Theoretical Study

Al-Anesi, Basheer ; Grandhi, G. Krishnamurthy ; Pecoraro, Adriana ; Sugathan, Vipinraj LU orcid ; Muñoz-García, Ana Belén ; Pavone, Michele and Vivo, Paola (2024) In Journal of Physical Chemistry C 128(23). p.9446-9453
Abstract

Perovskite-inspired materials (PIMs) provide low-toxicity and air-stable photo-absorbers for several possible optoelectronic devices. In this context, the pnictogen-based halides Cu2AgBiI6 (CABI) are receiving increasing attention in photovoltaics. Despite extensive studies on power conversion efficiency and shelf-life stability, nearly no attention has been given to the physicochemical properties of the interface between CABI and the hole transport layer (HTL), which can strongly impact overall cell operations. Here, we address this specific interface with three polymeric HTLs: poly(N,N′-bis(4-butylphenyl)-N,N′-bis(phenyl)benzidine) (poly-TPD), thiophene-(poly(3-hexylthiophene)) (P3HT), and... (More)

Perovskite-inspired materials (PIMs) provide low-toxicity and air-stable photo-absorbers for several possible optoelectronic devices. In this context, the pnictogen-based halides Cu2AgBiI6 (CABI) are receiving increasing attention in photovoltaics. Despite extensive studies on power conversion efficiency and shelf-life stability, nearly no attention has been given to the physicochemical properties of the interface between CABI and the hole transport layer (HTL), which can strongly impact overall cell operations. Here, we address this specific interface with three polymeric HTLs: poly(N,N′-bis(4-butylphenyl)-N,N′-bis(phenyl)benzidine) (poly-TPD), thiophene-(poly(3-hexylthiophene)) (P3HT), and poly(bis(4-phenyl)(2,4,6-trimethylphenyl)amine) (PTAA). Our findings reveal that devices fabricated with poly-TPD and P3HT outperform the commonly used Spiro-OMeTAD in terms of device operational stability, while PTAA exhibits worse performances. Density functional theory calculations unveil the electronic and chemical interactions at the CABI-HTL interfaces, providing new insights into observed experimental behaviors. Our study highlights the importance of addressing the buried interfaces in PIM-based devices to enhance their overall performance and stability.

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author
; ; ; ; ; and
publishing date
type
Contribution to journal
publication status
published
in
Journal of Physical Chemistry C
volume
128
issue
23
pages
8 pages
publisher
The American Chemical Society (ACS)
external identifiers
  • scopus:85194903373
ISSN
1932-7447
DOI
10.1021/acs.jpcc.4c01871
language
English
LU publication?
no
additional info
Publisher Copyright: © 2024 The Authors. Published by American Chemical Society.
id
2e967f75-c970-4cde-99d3-bfb62c071eec
date added to LUP
2026-09-22 09:37:01
date last changed
2026-09-25 12:30:12
@article{2e967f75-c970-4cde-99d3-bfb62c071eec,
  abstract     = {{<p>Perovskite-inspired materials (PIMs) provide low-toxicity and air-stable photo-absorbers for several possible optoelectronic devices. In this context, the pnictogen-based halides Cu<sub>2</sub>AgBiI<sub>6</sub> (CABI) are receiving increasing attention in photovoltaics. Despite extensive studies on power conversion efficiency and shelf-life stability, nearly no attention has been given to the physicochemical properties of the interface between CABI and the hole transport layer (HTL), which can strongly impact overall cell operations. Here, we address this specific interface with three polymeric HTLs: poly(N,N′-bis(4-butylphenyl)-N,N′-bis(phenyl)benzidine) (poly-TPD), thiophene-(poly(3-hexylthiophene)) (P3HT), and poly(bis(4-phenyl)(2,4,6-trimethylphenyl)amine) (PTAA). Our findings reveal that devices fabricated with poly-TPD and P3HT outperform the commonly used Spiro-OMeTAD in terms of device operational stability, while PTAA exhibits worse performances. Density functional theory calculations unveil the electronic and chemical interactions at the CABI-HTL interfaces, providing new insights into observed experimental behaviors. Our study highlights the importance of addressing the buried interfaces in PIM-based devices to enhance their overall performance and stability.</p>}},
  author       = {{Al-Anesi, Basheer and Grandhi, G. Krishnamurthy and Pecoraro, Adriana and Sugathan, Vipinraj and Muñoz-García, Ana Belén and Pavone, Michele and Vivo, Paola}},
  issn         = {{1932-7447}},
  language     = {{eng}},
  month        = {{06}},
  number       = {{23}},
  pages        = {{9446--9453}},
  publisher    = {{The American Chemical Society (ACS)}},
  series       = {{Journal of Physical Chemistry C}},
  title        = {{Dissecting the Role of the Hole-Transport Layer in Cu<sub>2</sub> AgBiI<sub>6</sub> Solar Cells : An Integrated Experimental and Theoretical Study}},
  url          = {{http://dx.doi.org/10.1021/acs.jpcc.4c01871}},
  doi          = {{10.1021/acs.jpcc.4c01871}},
  volume       = {{128}},
  year         = {{2024}},
}