To grind or not to grind? The influence of mechanical and thermal treatments on the Cu/Zn disorder in Cu2ZnSn(SxSe1-x)4 monograins

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

doi:10.1016/j.solmat.2022.112009

To grind or not to grind? The influence of mechanical and thermal treatments on the Cu/Zn disorder in Cu₂ZnSn(S_xSe_1-x)₄ monograins

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

Research output: Contribution to journal › Article › peer-review

1 Scopus citations

Abstract

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.

Original language	English
Article number	112009
Journal	Solar Energy Materials and Solar Cells
Volume	248
DOIs	https://doi.org/10.1016/j.solmat.2022.112009
State	Published - Dec 2022

Funding

The authors declare the following financial interests/personal relationships which may be considered as potential competing interests: Not applicable reports financial support was provided by European Union's Horizon 2020 research and innovation programme, grant agreements no 777968 (INFINITE-CELL project). Not applicable reports financial support was provided by European Union's Horizon 2020 research and innovation programme, grant agreements no 952982 (Custom-Art project). Maxim Guc reports financial support was provided by Spanish Ministry of Science, Innovation and Universities within the Juan de la Cierva fellowship (IJC2018-038199-I). IREC authors reports financial support was provided by European Regional Development Fund, Generalitat de Catalunya, Ref. 2017 SGR 862. Dieter Meissner reports financial support was provided by European Regional Development Fund, TK141, Archimedes, DoRa projects. A portion of this research used resources at the Spallation Neutron Source, a DOE Office of Science User Facility operated by the Oak Ridge National Laboratory (IPTS-26264 for POWGEN experiment). This manuscript has been authored by UT-Battelle, LLC, under contract DE-AC05-00OR22725 with the US Department of Energy (DOE). The US government retains and the publisher, by accepting the article for publication, acknowledges that the US government retains a nonexclusive, paid-up, irrevocable, worldwide license to publish or reproduce the published form of this manuscript, or allow others to do so, for US government purposes. DOE will provide public access to these results of federally sponsored research in accordance with the DOE Public Access Plan. This manuscript has been authored by UT-Battelle, LLC, under contract DE-AC05-00OR22725 with the US Department of Energy (DOE). The US government retains and the publisher, by accepting the article for publication, acknowledges that the US government retains a nonexclusive, paid-up, irrevocable, worldwide license to publish or reproduce the published form of this manuscript, or allow others to do so, for US government purposes. DOE will provide public access to these results of federally sponsored research in accordance with the DOE Public Access Plan.A portion of this research used resources at the Spallation Neutron Source, a DOE Office of Science User Facility operated by the Oak Ridge National Laboratory (IPTS-26264 for POWGEN experiment). This work has received funding from the European Union's Horizon 2020 research and innovation programme under grant agreements no 777968 (INFINITE-CELL project) and 952982 (Custom-Art project). Authors from IREC belong to the SEMS (Solar Energy Materials and Systems) Consolidated Research Group of the “Generalitat de Catalunya” (ref. 2017 SGR 862) and are grateful to European Regional Development Funds (ERDF, FEDER Programa Competitivitat de Catalunya 2007–2013). M.G. acknowledges the financial support from Spanish Ministry of Science, Innovation and Universities within the Juan de la Cierva fellowship (IJC2018-038199-I). DM also acknowledges the European Regional Development Fund and Archimedes/DoRa project TK141. A portion of this research used resources at the Spallation Neutron Source, a DOE Office of Science User Facility operated by the Oak Ridge National Laboratory (IPTS-26264 for POWGEN experiment). This work has received funding from the European Union's Horizon 2020 research and innovation programme under grant agreements no 777968 (INFINITE-CELL project) and 952982 (Custom-Art project). Authors from IREC belong to the SEMS (Solar Energy Materials and Systems) Consolidated Research Group of the “Generalitat de Catalunya” (ref. 2017 SGR 862 ) and are grateful to European Regional Development Funds (ERDF, FEDER Programa Competitivitat de Catalunya 2007–2013) . M.G. acknowledges the financial support from Spanish Ministry of Science, Innovation and Universities within the Juan de la Cierva fellowship ( IJC2018-038199-I ). DM also acknowledges the European Regional Development Fund and Archimedes/DoRa project TK141 .

Funders	Funder number
IREC
U.S. Department of Energy
Office of Science
Oak Ridge National Laboratory	IPTS-26264
Ministerio de Ciencia, Innovación y Universidades	IJC2018-038199-I
Generalitat de Catalunya	2017 SGR 862
Horizon 2020	952982, 777968
European Regional Development Fund	TK141

UN SDGs

This output contributes to the following UN Sustainable Development Goals (SDGs)

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10.1016/j.solmat.2022.112009

Cite this

Gurieva, G., Rotaru, V., Ernits, K., Siminel, N., Manjón-Sanz, A., Kirkham, M., Perez-Rodriguez, A., Guc, M., Meissner, D., & Schorr, S. (2022). To grind or not to grind? The influence of mechanical and thermal treatments on the Cu/Zn disorder in Cu₂ZnSn(S_xSe_1-x)₄ monograins. Solar Energy Materials and Solar Cells, 248, Article 112009. https://doi.org/10.1016/j.solmat.2022.112009

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abstract = "Kesterite-type based thin film solar cell technologies are mainly based on polycrystalline absorber layers. A promising low cost alternative technology uses Cu2ZnSn(SxSe1-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.",

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AU - Ernits, K.

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