The complex material properties of chalcopyrite and kesterite thin‐film solar cell absorbers tackled by synchrotron‐based analytics

Schorr, Susan; Mainz, Roland; Mönig, Harry; Lauermann, Iver; Bär, Marcus

doi:10.1002/pip.1256

Cited by 10 publications

(7 citation statements)

References 66 publications

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“…Sulfur was omitted because it was always in excess in the syntheses. There have been a few studies on the relationships between metal ratios and stoichiometries that produce secondary phases. ,,, Comparative ratios for copper, tin, and zinc that are indicative of higher quality CZTS that are utilized in solar cells achieving high efficiencies differ greatly . Typically Cu/(Zn + Sn) is expected to be between 0.9 and 0.96 and the Zn/Sn around 1.1 .…”

Section: Resultsmentioning

confidence: 99%

Photoelectrochemical and Physical Insight into Cu₂ZnSnS₄ Nanocrystals Using Synchrotron Radiation

et al. 2015

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Cu2ZnSnS4 (CZTS) nanocrystals were synthesized via a one-pot method and photoelectrochemical measurements (PECMs) were used to quantitatively compare CZTS films. Based on their initial metal stoichiometry and photoresponse behavior, CZTS films were divided into groups of high-photoresponse (hp-CZTS) and low-photoresponse samples (lp-CZTS). An X-ray absorption near-edge structure (XANES) study was then performed to unravel the origin of the difference in their photovoltaic properties. The results demonstrated that the local structures of the elements and their interaction with capping ligands are different and strongly affect the photovoltaic behavior, although both CZTS groups through one-pot synthesis were free of secondary phases. It was determined that the coordination of Zn and the capping ligand–metal interaction are the two major factors for the production of higher photocurrent. The correlations will guide us to produce viable CZTS films crucial for the development of solar energy conversion.

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Section: Resultsmentioning

confidence: 99%

Photoelectrochemical and Physical Insight into Cu₂ZnSnS₄ Nanocrystals Using Synchrotron Radiation

et al. 2015

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“…Neutron diffraction can be used , but requires comparatively large amounts of sample. The possibility to use anomalous diffraction at a synchrotron source to overcome this problem has largely been ignored until recently. Currently published articles either restrict themselves to qualitative changes or used single crystal data with limited explanatory power for realistic samples.…”

Section: Introductionmentioning

confidence: 99%

Temperature dependency of Cu/Zn ordering in CZTSe kesterites determined by anomalous diffraction

Többens

Gurieva

Levcenko

et al. 2016

Physica Status Solidi (b)

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Low-temperature cation ordering is emerging as a critical factor limiting the efficiency of CZTSSe kesterite photovoltaic materials. By means of direct determination of the site occupancies from anomalous X-ray powder diffraction data at the Cu-and Zn-absorption edges, the ordering of Cu þ and Zn 2þ in B-type Cu 2 ZnSnSe 4 (CZTSe) kesterite upon annealing at temperatures below 203 (6) 8C is demonstrated. Anomalous X-ray diffraction on the Cu-and Zn-K absorption edges allows determination of the distribution of isoelectric Cu 1þ and Zn 2þ over the crystallographic sites in a B-type CZTSe kesterite (Cu 1.949(20) Zn 1.059(10) Sn 0.983(10) Se 4 ) powder. By Rietveld refinement the quantitative determination of both Cu-and Zn-occupancy for all relevant sites is achieved. From this, the temperature dependency of a structure-based, quantitative order parameter is determined. The critical temperature of the phase transition is confirmed at 203 (6) 8C. The ordering mechanism is in agreement with a transition from disordered to ordered kesterite. The photoluminescence band maximum shows a closely related temperature dependency, directly demonstrating the effect of cation ordering on the optical properties of CZTSe.

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“…First-principles studies showed that this quaternary phase is stable only within a very small domain of chemical potentials. , Slight deviations from optimal growth conditions result in spontaneous formation of undesired phases such as ZnS, SnS, SnS 2 , CuS, and Cu 2 SnS 3 rather than the desired CZTS phase. Critically, the first method of choice for distinguishing between possible nanocrystalline phases, powder X-ray diffraction (XRD), is of limited use here because CZTS and common impurities such as ZnS adopt very similar hexagonal wurtzite crystal structures (Figure ) (note: CZTS’s other well-known structure, tetragonal kesterite, was not observed here; neutron diffraction can provide better phase resolution but is less available). , Nevertheless, energy-dispersive X-ray spectroscopy (EDX) line scans on several nanorods prepared by the aforementioned procedure consistently showed marked axial composition gradients. Specifically, the amount of Cu increased, and the amount of Zn decreased from one side of the nanorods to the other (Figure ).…”

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Axial Composition Gradients and Phase Segregation Regulate the Aspect Ratio of Cu₂ZnSnS₄ Nanorods

Thompson

Ruberu

Blakeney

et al. 2013

J. Phys. Chem. Lett.

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Cu 2 ZnSnS 4 (CZTS) is a promising material for solar energy conversion, but synthesis of phase-pure, anisotropic CZTS nanocrystals remains a challenge. We demonstrate that the initial concentration (loading) of cationic precursors has a dramatic effect on the morphology (aspect ratio) and composition (internal architecture) of hexagonal wurtzite CZTS nanorods. Our experiments strongly indicate that Cu is the most reactive of the metal cations; Zn is next, and Sn is the least reactive. Using this reactivity series, we are able to purposely fine-tune the morphology (dots versus rods) and degree of axial phase segregation of CZTS nanocrystals. These results will improve our ability to fabricate CZTS nanostructures for photovoltaics and photocatalysis. KeywordsComposition control, CZTS, precursor loading, shape control ABSTRACT: Cu 2 ZnSnS 4 (CZTS) is a promising material for solar energy conversion, but synthesis of phase-pure, anisotropic CZTS nanocrystals remains a challenge. We demonstrate that the initial concentration (loading) of cationic precursors has a dramatic effect on the morphology (aspect ratio) and composition (internal architecture) of hexagonal wurtzite CZTS nanorods. Our experiments strongly indicate that Cu is the most reactive of the metal cations; Zn is next, and Sn is the least reactive. Using this reactivity series, we are able to purposely fine-tune the morphology (dots versus rods) and degree of axial phase segregation of CZTS nanocrystals. These results will improve our ability to fabricate CZTS nanostructures for photovoltaics and photocatalysis.

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The complex material properties of chalcopyrite and kesterite thin‐film solar cell absorbers tackled by synchrotron‐based analytics

Cited by 10 publications

References 66 publications

Photoelectrochemical and Physical Insight into Cu₂ZnSnS₄ Nanocrystals Using Synchrotron Radiation

Photoelectrochemical and Physical Insight into Cu₂ZnSnS₄ Nanocrystals Using Synchrotron Radiation

Temperature dependency of Cu/Zn ordering in CZTSe kesterites determined by anomalous diffraction

Axial Composition Gradients and Phase Segregation Regulate the Aspect Ratio of Cu₂ZnSnS₄ Nanorods

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The complex material properties of chalcopyrite and kesterite thin‐film solar cell absorbers tackled by synchrotron‐based analytics

Cited by 10 publications

References 66 publications

Photoelectrochemical and Physical Insight into Cu2ZnSnS4 Nanocrystals Using Synchrotron Radiation

Photoelectrochemical and Physical Insight into Cu2ZnSnS4 Nanocrystals Using Synchrotron Radiation

Temperature dependency of Cu/Zn ordering in CZTSe kesterites determined by anomalous diffraction

Axial Composition Gradients and Phase Segregation Regulate the Aspect Ratio of Cu2ZnSnS4 Nanorods

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Photoelectrochemical and Physical Insight into Cu₂ZnSnS₄ Nanocrystals Using Synchrotron Radiation

Photoelectrochemical and Physical Insight into Cu₂ZnSnS₄ Nanocrystals Using Synchrotron Radiation

Axial Composition Gradients and Phase Segregation Regulate the Aspect Ratio of Cu₂ZnSnS₄ Nanorods