Journal Article

PUBDB-2025-00144

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Lattice Dynamics of Cu$_2$ZnSn(S$_x$ ,Se$_{1– x}$)$_4$ Kesterite Thin-Film Solar Cells Studied by Nuclear Inelastic Scattering

Edla, R.Extern* ; Nowak, D. ; Hauschild, D.Extern* ; Sergueev, I.XFEL.EU*DESY* ; Pareek, D. ; Gütay, L. ; Heske, C. ; Weinhardt, L. ; Stankov, S. (Corresponding author)Extern*

2024
Soc. Washington, DC

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Please use a persistent id in citations: doi:10.1021/acs.jpcc.4c03689  doi:10.3204/PUBDB-2025-00144

Abstract: Phonons play a crucial role in thermalization and non-radiative recombination losses in semiconductors, impacting the power conversion efficiency of solar cells. To shed light on the lattice dynamics in Cu$_2$ZnSn(Sx,Se$_{1–x}$)$_4$ (CZTSSe) thin-film solar cells and validate the extensive number of theoretical studies, we determine the $^{119}$Sn-partial phonon density of states (Sn-PDOS) by nuclear inelastic X-ray scattering. CZTSSe-based devices, one with near-stoichiometric and two with off-stoichiometric compositions, are investigated, and the results are correlated with the corresponding power conversion efficiencies (PCEs) of 3.2, 7.6, and 10.6%, respectively. Compared to the near-stoichiometric cell, the main Sn-PDOS peak of the off-stoichiometric cells broadens and slightly shifts to higher energy; this effect is correlated with the type and concentration of the characteristic defects in the studied samples. Furthermore, the Sn-PDOS of the 10.6% device is also obtained under operando (maximum power point) and open-circuit conditions. A comparison of the Sn-PDOS before and after the operando measurements suggests structural changes, likely due to the formation of metastable defects. In agreement with the theoretical studies, the Sn-PDOS of the CZTSSe absorber shows additional peaks compared to CZTSe attributed to coupling of Sn to the vibrations of Se and S atoms. This work paves the way for a further understanding of the lattice dynamics and subsequent enhancement of the PCEs of thin-film solar cells as well as other applied materials and devices containing elements that are Mössbauer-active and hence suitable for nuclear inelastic scattering.

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Contributing Institute(s):

1. FS DOOR-User (FS DOOR-User)
2. Experimentebetreuung PETRA III (FS-PET-S)

Research Program(s):

1. 632 - Materials – Quantum, Complex and Functional Materials (POF4-632) (POF4-632)
2. 6G3 - PETRA III (DESY) (POF4-6G3) (POF4-6G3)
3. CUSTOM-ART - DISRUPTIVE KESTERITES-BASED THIN FILM TECHNOLOGIES CUSTOMISED FOR CHALLENGING ARCHITECTURAL AND ACTIVE URBAN FURNITURE APPLICATIONS (952982) (952982)

Experiment(s):

1. PETRA Beamline P01 (PETRA III)

Appears in the scientific report 2024

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Database coverage:
; ; ; Clarivate Analytics Master Journal List ; Current Contents - Physical, Chemical and Earth Sciences ; Essential Science Indicators ; IF < 5 ; JCR ; SCOPUS ; Science Citation Index Expanded ; Web of Science Core Collection

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