To grind or not to grind? The influence of mechanical and thermal treatments on the $\mathrm{Cu/Zn}$ disorder in $\mathrm{Cu}$2$\mathrm{ZnSn}$($\mathrm{S}$x$\mathrm{Se}$1-x)4 monograins

Gurieva, G.; Rotaru, V.; Ernits, K.; Siminel, N.; Manjón-Sanz, A.; Kirkham, M.; Perez-Rodriguez, A.; Guc, M.; Meissner, D.; Schorr, S.

doi:10.1016/j.solmat.2022.112009

To grind or not to grind? The influence of mechanical and thermal treatments on the $$\mathrm{Cu/Zn}$$ disorder in $$\mathrm{Cu}$$₂$$\mathrm{ZnSn}$$($$\mathrm{S}$$_x$$\mathrm{Se}$$_1-x)₄ monograins

Journal Article · Wed Sep 28 00:00:00 EDT 2022 · Solar Energy Materials and Solar Cells

DOI:https://doi.org/10.1016/j.solmat.2022.112009· OSTI ID:1890316

Gurieva, G. ^[1]; Rotaru, V. ^[2]; Ernits, K. ^[3]; Siminel, N. ^[4]; Manjón-Sanz, A. ^[5]; ^[5]; Perez-Rodriguez, A. ^[6]; Guc, M. ^[2]; Meissner, D. ^[7]; Schorr, S. ^[8]

Helmholtz-Zentrum Berlin für Materialien und Energie, Berlin (Germany)
Catalonia Institute for Energy Research (IREC), Barcelona (Spain)
Crystalsol OÜ, Tallinn (Estonia)
Academy of Sciences of Moldova, Chisinau (Moldova, Republic of )
Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)
Catalonia Institute for Energy Research (IREC), Barcelona (Spain); University of Barcelona (Spain)
Crystalsol OÜ, Tallinn (Estonia); Tallinn University of Technology (Estonia)
Helmholtz-Zentrum Berlin für Materialien und Energie, Berlin (Germany); Freie University, Berlin (Germany)

We report that Kesterite-type based thin film solar cell technologies are mainly based on polycrystalline absorber layers. A promising low cost alternative technology uses Cu₂ZnSn(S_xSe_1-x)₄ (CZTSSe) monograins (single crystals of 20–100 μm size) which are fixed in a polymer matrix to form a flexible solar cell. The Cu/Zn disorder is discussed as a possible reason for band tailing causing voltage losses limiting the efficiency of CZTSSe-based devices. The experimental determination of the order parameter Q which is a quantitative measure of Cu/Zn disorder, requires a differentiation between the isoelectronic cations Cu⁺ and Zn²⁺. An in-depth analysis of neutron diffraction data allows the determination of type and concentration of intrinsic point defects including a distinction between Cu and Zn. Neutron diffraction requires large sample volumes, thus monograins offer the unique possibility to correlate structural disorder in CZTSSe with device performance parameters. In this study we tackle the influence of grinding the monograins on stoichiometry deviations, the Cu/Zn disorder as well as intrinsic point defects and optoelectronic properties of CZTSSe monograins. Moreover, an easy methodology based on Raman scattering spectroscopy is proposed for the assessment of Cu/Zn disorder in the CZTSSe compounds.

View Accepted Manuscript (DOE)

Research Organization:: Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)

Sponsoring Organization:: European Regional Development Fund; European Union's Horizon 2020; Spanish Ministry of Science, Innovation and Universities; USDOE

Grant/Contract Number:: AC05-00OR22725

OSTI ID:: 1890316

Journal Information:: Solar Energy Materials and Solar Cells, Journal Name: Solar Energy Materials and Solar Cells Journal Issue: - Vol. 248; ISSN 0927-0248

Publisher:: ElsevierCopyright Statement

Country of Publication:: United States

Language:: English

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To grind or not to grind? The influence of mechanical and thermal treatments on the $$\mathrm{Cu/Zn}$$ disorder in $$\mathrm{Cu}$$2$$\mathrm{ZnSn}$$($$\mathrm{S}$$x$$\mathrm{Se}$$1-x)4 monograins

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To grind or not to grind? The influence of mechanical and thermal treatments on the $$\mathrm{Cu/Zn}$$ disorder in $$\mathrm{Cu}$$₂$$\mathrm{ZnSn}$$($$\mathrm{S}$$_x$$\mathrm{Se}$$_1-x)₄ monograins