Atomic Scale Structure of (Ag,Cu)2ZnSnSe4 and Cu2Zn(Sn,Ge)Se4 Kesterite Thin Films

Kesterite based materials are being researched and developed as affordable, efficient, and mechanically flexible absorber materials for thin film photovoltaics. Both (Ag,Cu)2ZnSnSe4 and Cu2Zn(Sn,Ge)Se4 based devices have shown great potential in overcoming some of the remaining challenges for furthe...

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Main Authors: Konrad Ritter, Galina Gurieva, Stefanie Eckner, Cora Preiß, Maurizio Ritzer, Charles J. Hages, Edmund Welter, Rakesh Agrawal, Susan Schorr, Claudia S. Schnohr
Format: Article
Language:English
Published: Frontiers Media S.A. 2021-04-01
Series:Frontiers in Energy Research
Subjects:
Online Access:https://www.frontiersin.org/articles/10.3389/fenrg.2021.656006/full
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author Konrad Ritter
Konrad Ritter
Galina Gurieva
Stefanie Eckner
Stefanie Eckner
Cora Preiß
Maurizio Ritzer
Charles J. Hages
Edmund Welter
Rakesh Agrawal
Susan Schorr
Susan Schorr
Claudia S. Schnohr
Claudia S. Schnohr
author_facet Konrad Ritter
Konrad Ritter
Galina Gurieva
Stefanie Eckner
Stefanie Eckner
Cora Preiß
Maurizio Ritzer
Charles J. Hages
Edmund Welter
Rakesh Agrawal
Susan Schorr
Susan Schorr
Claudia S. Schnohr
Claudia S. Schnohr
author_sort Konrad Ritter
collection DOAJ
description Kesterite based materials are being researched and developed as affordable, efficient, and mechanically flexible absorber materials for thin film photovoltaics. Both (Ag,Cu)2ZnSnSe4 and Cu2Zn(Sn,Ge)Se4 based devices have shown great potential in overcoming some of the remaining challenges for further increasing the conversion efficiency of kesterite based solar cells. This study therefore investigates the long range crystallographic structure and the local atomic scale structure of technologically relevant thin films by means of grazing incidence X-ray diffraction and low temperature X-ray absorption spectroscopy. As expected, the unit cell dimensions change about an order of magnitude more than the element specific average bond lengths. In case of Cu2Zn(Sn,Ge)Se4, the thin film absorbers show a very similar behavior as Cu2Zn(Sn,Ge)Se4 powder samples previously studied. Small amounts of residual S in the thin films were taken into account in the analysis and the results imply a preferential formation of Sn-S bonds instead of Ge-S bonds. In (Ag,Cu)2ZnSnSe4, the dependence of the Ag-Se and Cu-Se bond lengths on Ag/(Ag+Cu) might indicate an energetic advantage in the formation of certain local configurations.
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spelling doaj.art-3d5688e657cd4d56ba94c0a28c8b831a2022-12-21T19:43:05ZengFrontiers Media S.A.Frontiers in Energy Research2296-598X2021-04-01910.3389/fenrg.2021.656006656006Atomic Scale Structure of (Ag,Cu)2ZnSnSe4 and Cu2Zn(Sn,Ge)Se4 Kesterite Thin FilmsKonrad Ritter0Konrad Ritter1Galina Gurieva2Stefanie Eckner3Stefanie Eckner4Cora Preiß5Maurizio Ritzer6Charles J. Hages7Edmund Welter8Rakesh Agrawal9Susan Schorr10Susan Schorr11Claudia S. Schnohr12Claudia S. Schnohr13Felix-Bloch-Institut für Festkörperphysik, Universität Leipzig, Leipzig, GermanyInstitut für Festkörperphysik, Friedrich-Schiller-Universität, Jena, GermanyHelmholtz-Zentrum Berlin für Materialien und Energie, Berlin, GermanyFelix-Bloch-Institut für Festkörperphysik, Universität Leipzig, Leipzig, GermanyInstitut für Festkörperphysik, Friedrich-Schiller-Universität, Jena, GermanyInstitut für Festkörperphysik, Friedrich-Schiller-Universität, Jena, GermanyInstitut für Festkörperphysik, Friedrich-Schiller-Universität, Jena, GermanyDepartment of Chemical Engineering, University of Florida, Gainesville, FL, United StatesDeutsches Elektronen-Synchrotron DESY−A Research Centre of the Helmholtz Association, Hamburg, GermanyDavidson School of Chemical Engineering, Purdue University, West Lafayette, IN, United StatesHelmholtz-Zentrum Berlin für Materialien und Energie, Berlin, GermanyInstitut für Geologische Wissenschaften, Freie Universität Berlin, Berlin, GermanyFelix-Bloch-Institut für Festkörperphysik, Universität Leipzig, Leipzig, GermanyInstitut für Festkörperphysik, Friedrich-Schiller-Universität, Jena, GermanyKesterite based materials are being researched and developed as affordable, efficient, and mechanically flexible absorber materials for thin film photovoltaics. Both (Ag,Cu)2ZnSnSe4 and Cu2Zn(Sn,Ge)Se4 based devices have shown great potential in overcoming some of the remaining challenges for further increasing the conversion efficiency of kesterite based solar cells. This study therefore investigates the long range crystallographic structure and the local atomic scale structure of technologically relevant thin films by means of grazing incidence X-ray diffraction and low temperature X-ray absorption spectroscopy. As expected, the unit cell dimensions change about an order of magnitude more than the element specific average bond lengths. In case of Cu2Zn(Sn,Ge)Se4, the thin film absorbers show a very similar behavior as Cu2Zn(Sn,Ge)Se4 powder samples previously studied. Small amounts of residual S in the thin films were taken into account in the analysis and the results imply a preferential formation of Sn-S bonds instead of Ge-S bonds. In (Ag,Cu)2ZnSnSe4, the dependence of the Ag-Se and Cu-Se bond lengths on Ag/(Ag+Cu) might indicate an energetic advantage in the formation of certain local configurations.https://www.frontiersin.org/articles/10.3389/fenrg.2021.656006/fullkesteriteCZTGSeACZTSethin filmsalloysEXAFS
spellingShingle Konrad Ritter
Konrad Ritter
Galina Gurieva
Stefanie Eckner
Stefanie Eckner
Cora Preiß
Maurizio Ritzer
Charles J. Hages
Edmund Welter
Rakesh Agrawal
Susan Schorr
Susan Schorr
Claudia S. Schnohr
Claudia S. Schnohr
Atomic Scale Structure of (Ag,Cu)2ZnSnSe4 and Cu2Zn(Sn,Ge)Se4 Kesterite Thin Films
Frontiers in Energy Research
kesterite
CZTGSe
ACZTSe
thin films
alloys
EXAFS
title Atomic Scale Structure of (Ag,Cu)2ZnSnSe4 and Cu2Zn(Sn,Ge)Se4 Kesterite Thin Films
title_full Atomic Scale Structure of (Ag,Cu)2ZnSnSe4 and Cu2Zn(Sn,Ge)Se4 Kesterite Thin Films
title_fullStr Atomic Scale Structure of (Ag,Cu)2ZnSnSe4 and Cu2Zn(Sn,Ge)Se4 Kesterite Thin Films
title_full_unstemmed Atomic Scale Structure of (Ag,Cu)2ZnSnSe4 and Cu2Zn(Sn,Ge)Se4 Kesterite Thin Films
title_short Atomic Scale Structure of (Ag,Cu)2ZnSnSe4 and Cu2Zn(Sn,Ge)Se4 Kesterite Thin Films
title_sort atomic scale structure of ag cu 2znsnse4 and cu2zn sn ge se4 kesterite thin films
topic kesterite
CZTGSe
ACZTSe
thin films
alloys
EXAFS
url https://www.frontiersin.org/articles/10.3389/fenrg.2021.656006/full
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