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000639806 1001_ $$0P:(DE-H253)PIP1028791$$aGurieva, Galina$$b0$$eCorresponding author
000639806 245__ $$aInfluence of Cu purity and low temperature annealing on Cu/Zn disorder and efficiency of CZTSSe monograins
000639806 260__ $$aCollege Park, MD$$bAPS$$c2025
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000639806 520__ $$aThin film solar cell technologies are mainly based on polycrystalline absorber layers, which is also the case for kesterite-based photovoltaic devices. An alternative technology, which is promising and low cost, is based on kesterite-type C⁢u$_2$⁢ZnSn⁢(S,Se)$_4$ (CZTSSe) monograins as absorbers, which are fixed in a polymer matrix to form a flexible solar cell. The large band tailing observed in Cu-based kesterite-type semiconductors is believed to cause voltage losses, limiting the efficiency of kesterite-based devices. Cu/Zn disorder, which is always present in these compounds, is discussed in literature as a possible reason for band tailing. The experimental determination and quantification of Cu/Zn disorder is possible by in-depth analysis of neutron diffraction data. This work reveals that the purity of copper used in the synthesis of CZTSSe monograins has an influence on the degree of Cu/Zn disorder in the semiconductor and thus on optical and PV parameters. Comparing CZTSSe monograins, less Cu/Zn disorder was observed for the monograins synthesized using copper with higher purity; the respective monograin-based solar cell shows a higher power conversion efficiency. On the other hand, the band gap energy as well as the photoluminescence maximum (P⁢L$_{max}$) of both monograins are the same. Applying a low-temperature annealing procedure allowed us to increase the quality of monograins synthesized using 5N copper, very close to the one grown using 6N copper. The P⁢L$_{max}$ slightly shifts into higher energy, which is most likely an indication of the decreased Cu/Zn disorder, either moving the defect states toward the valence band or that it reduces the formation of the tail states near the conduction band minimum.
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000639806 536__ $$0G:(EU-Grant)952982$$aCUSTOM-ART - DISRUPTIVE KESTERITES-BASED THIN FILM TECHNOLOGIES CUSTOMISED FOR CHALLENGING ARCHITECTURAL AND ACTIVE URBAN FURNITURE APPLICATIONS (952982)$$c952982$$fH2020-LC-SC3-2020-RES-IA-CSA$$x1
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000639806 7001_ $$00000-0002-0508-4528$$aErnits, Kaia$$b1
000639806 7001_ $$0P:(DE-H253)PIP1092040$$aLevcenco, Sergiu$$b2
000639806 7001_ $$aFranz, Alexandra$$b3
000639806 7001_ $$00000-0003-4077-3705$$aMeissner, Dieter$$b4
000639806 7001_ $$0P:(DE-H253)PIP1011052$$aSchorr, Susan$$b5
000639806 773__ $$0PERI:(DE-600)2898355-5$$a10.1103/37sc-4jmy$$gVol. 9, no. 7, p. 075403$$n7$$p075403$$tPhysical review materials$$v9$$x2475-9953$$y2025
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