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

Christian Rein, Jens Uhlig, David Carrasco de Busturia, Khadijeh Khalili, Anders Skovbo Gertsen, Asbjørn Meldgaard Moltke, Xiaoyi Zhang, Tetsuo Katayama, Juan Maria García Lastra, Martin Meedom Nielsen, Shin-Ichi Adachi, Kristoffer Haldrup, Jens Wenzel Andreasen*

*Corresponding author for this work

Research output: Contribution to journalJournal articleResearchpeer-review

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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.
Original languageEnglish
Article number024501
JournalStructural Dynamics
Issue number2
Publication statusPublished - 2021


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