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Element-specific investigations of ultrafast dynamics in photoexcited Cu2ZnSnS4 nanoparticles in solution

Rein, Christian ; Uhlig, Jens LU ; Carrasco-Busturia, David ; Khalili, Khadijeh ; Gertsen, Anders S. ; Moltke, Asbjørn ; Zhang, Xiaoyi ; Katayama, Tetsuo ; Lastra, Juan Maria García and Nielsen, Martin Meedom , et al. (2021) In Structural Dynamics 8(2).
Abstract

Ultrafast, light-induced dynamics in copper-zinc-tin-sulfide (CZTS) photovoltaic nanoparticles are investigated through a combination of optical and x-ray transient absorption spectroscopy. Laser-pump, x-ray-probe spectroscopy on a colloidal CZTS nanoparticle ink yields element-specificity, which reveals a rapid photo-induced shift of electron density away from Cu-sites, affecting the molecular orbital occupation and structure of CZTS. We observe the formation of a stable charge-separated and thermally excited structure, which persists for nanoseconds and involves an increased charge density at the Zn sites. Combined with density functional theory calculations, the results provide new insight into the structural and electronic dynamics... (More)

Ultrafast, light-induced dynamics in copper-zinc-tin-sulfide (CZTS) photovoltaic nanoparticles are investigated through a combination of optical and x-ray transient absorption spectroscopy. Laser-pump, x-ray-probe spectroscopy on a colloidal CZTS nanoparticle ink yields element-specificity, which reveals a rapid photo-induced shift of electron density away from Cu-sites, affecting the molecular orbital occupation and structure of CZTS. We observe the formation of a stable charge-separated and thermally excited structure, which persists for nanoseconds and involves an increased charge density at the Zn sites. Combined with density functional theory calculations, the results provide new insight into the structural and electronic dynamics of CZTS absorbers for solar cells.

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organization
publishing date
type
Contribution to journal
publication status
published
subject
in
Structural Dynamics
volume
8
issue
2
article number
024501
publisher
American Institute of Physics (AIP)
external identifiers
  • scopus:85103846509
  • pmid:33869663
ISSN
2329-7778
DOI
10.1063/4.0000055
language
English
LU publication?
yes
id
5beeb353-b2e4-473a-a12a-18e94c7b0da6
date added to LUP
2021-04-20 07:48:53
date last changed
2024-06-15 10:02:49
@article{5beeb353-b2e4-473a-a12a-18e94c7b0da6,
  abstract     = {{<p>Ultrafast, light-induced dynamics in copper-zinc-tin-sulfide (CZTS) photovoltaic nanoparticles are investigated through a combination of optical and x-ray transient absorption spectroscopy. Laser-pump, x-ray-probe spectroscopy on a colloidal CZTS nanoparticle ink yields element-specificity, which reveals a rapid photo-induced shift of electron density away from Cu-sites, affecting the molecular orbital occupation and structure of CZTS. We observe the formation of a stable charge-separated and thermally excited structure, which persists for nanoseconds and involves an increased charge density at the Zn sites. Combined with density functional theory calculations, the results provide new insight into the structural and electronic dynamics of CZTS absorbers for solar cells.</p>}},
  author       = {{Rein, Christian and Uhlig, Jens and Carrasco-Busturia, David and Khalili, Khadijeh and Gertsen, Anders S. and Moltke, Asbjørn and Zhang, Xiaoyi and Katayama, Tetsuo and Lastra, Juan Maria García and Nielsen, Martin Meedom and Adachi, Shin Ichi and Haldrup, Kristoffer and Andreasen, Jens Wenzel}},
  issn         = {{2329-7778}},
  language     = {{eng}},
  number       = {{2}},
  publisher    = {{American Institute of Physics (AIP)}},
  series       = {{Structural Dynamics}},
  title        = {{Element-specific investigations of ultrafast dynamics in photoexcited Cu<sub>2</sub>ZnSnS<sub>4</sub> nanoparticles in solution}},
  url          = {{http://dx.doi.org/10.1063/4.0000055}},
  doi          = {{10.1063/4.0000055}},
  volume       = {{8}},
  year         = {{2021}},
}