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

Summary, in English

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.

• Author: Christian Rein; Jens Uhlig; David Carrasco-Busturia; Khadijeh Khalili; Anders S. Gertsen; Asbjørn Moltke; Xiaoyi Zhang; Tetsuo Katayama; Juan Maria García Lastra; Martin Meedom Nielsen; Shin Ichi Adachi; Kristoffer Haldrup; Jens Wenzel Andreasen
• Department/s: Chemical Physics; NanoLund: Centre for Nanoscience
• Publishing year: 2021
• Language: English
• Publication/Series: Structural Dynamics
• Volume: 8
• Issue: 2
• Links: http://dx.doi.org/10.1063/4.0000055
• Document type: Journal article
• Publisher: AAPM - American Association of Physicists in Medicine
• Topic: Physical Chemistry (including Surface- and Colloid Chemistry); Condensed Matter Physics (including Material Physics, Nano Physics); Atom and Molecular Physics and Optics
• Status: Published
• ISBN/ISSN/Other: ISSN: 2329-7778