Ab-Initio Investigation of the Band Alignment Between Cu
 2
 ZnSnS
 4
 and Different Buffer Materials (Al
 2
 ZnO
 4
 , CeO
 2
 , ZnSnO
 3
 )

Arwa Albar; Udo Schwingenschlögl

doi:10.1002/pssr.201800649

Ab-Initio Investigation of the Band Alignment Between Cu 2 ZnSnS 4 and Different Buffer Materials (Al 2 ZnO 4 , CeO 2 , ZnSnO 3 )

Arwa Albar, Udo Schwingenschlögl

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

3 Scopus citations

Abstract

Limited efficiency of Cu2ZnSnS4 (CZTS) solar cells due to high recombination rates at the CZTS–buffer interface calls for alternative buffer materials to enhance the open circuit voltage and, therefore, the device performance. By means of ab-initio hybrid functional calculations, the authors investigate the interfaces between the p-type absorber CZTS and the n-type buffer materials Al2ZnO4, CeO2, or ZnSnO3 to evaluate the band alignment. Strong hole confinement is predicted for the CZTS/Al2ZnO4 and CZTS/ZnSnO3 interfaces. A small conduction band offset of 0.31 eV is obtained for the CZTS/ZnSnO3 interface, indicating that ZnSnO3 should be considered for improving the efficiency of CZTS solar cells.

Original language	English (US)
Pages (from-to)	1800649
Journal	physica status solidi (RRL) – Rapid Research Letters
Volume	13
Issue number	8
DOIs	https://doi.org/10.1002/pssr.201800649
State	Published - Apr 29 2019

Bibliographical note

KAUST Repository Item: Exported on 2020-10-01
Acknowledgements: The research reported in this publication was supported by funding from King Abdullah University of Science and Technology (KAUST). For computer time, this research used the resources of the Supercomputing Laboratory at KAUST.

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10.1002/pssr.201800649

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title = "Ab-Initio Investigation of the Band Alignment Between Cu 2 ZnSnS 4 and Different Buffer Materials (Al 2 ZnO 4 , CeO 2 , ZnSnO 3 )",

abstract = "Limited efficiency of Cu2ZnSnS4 (CZTS) solar cells due to high recombination rates at the CZTS–buffer interface calls for alternative buffer materials to enhance the open circuit voltage and, therefore, the device performance. By means of ab-initio hybrid functional calculations, the authors investigate the interfaces between the p-type absorber CZTS and the n-type buffer materials Al2ZnO4, CeO2, or ZnSnO3 to evaluate the band alignment. Strong hole confinement is predicted for the CZTS/Al2ZnO4 and CZTS/ZnSnO3 interfaces. A small conduction band offset of 0.31 eV is obtained for the CZTS/ZnSnO3 interface, indicating that ZnSnO3 should be considered for improving the efficiency of CZTS solar cells.",

author = "Arwa Albar and Udo Schwingenschl{\"o}gl",

note = "KAUST Repository Item: Exported on 2020-10-01 Acknowledgements: The research reported in this publication was supported by funding from King Abdullah University of Science and Technology (KAUST). For computer time, this research used the resources of the Supercomputing Laboratory at KAUST.",

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AU - Albar, Arwa

AU - Schwingenschlögl, Udo

N1 - KAUST Repository Item: Exported on 2020-10-01 Acknowledgements: The research reported in this publication was supported by funding from King Abdullah University of Science and Technology (KAUST). For computer time, this research used the resources of the Supercomputing Laboratory at KAUST.

PY - 2019/4/29

Y1 - 2019/4/29

N2 - Limited efficiency of Cu2ZnSnS4 (CZTS) solar cells due to high recombination rates at the CZTS–buffer interface calls for alternative buffer materials to enhance the open circuit voltage and, therefore, the device performance. By means of ab-initio hybrid functional calculations, the authors investigate the interfaces between the p-type absorber CZTS and the n-type buffer materials Al2ZnO4, CeO2, or ZnSnO3 to evaluate the band alignment. Strong hole confinement is predicted for the CZTS/Al2ZnO4 and CZTS/ZnSnO3 interfaces. A small conduction band offset of 0.31 eV is obtained for the CZTS/ZnSnO3 interface, indicating that ZnSnO3 should be considered for improving the efficiency of CZTS solar cells.

AB - Limited efficiency of Cu2ZnSnS4 (CZTS) solar cells due to high recombination rates at the CZTS–buffer interface calls for alternative buffer materials to enhance the open circuit voltage and, therefore, the device performance. By means of ab-initio hybrid functional calculations, the authors investigate the interfaces between the p-type absorber CZTS and the n-type buffer materials Al2ZnO4, CeO2, or ZnSnO3 to evaluate the band alignment. Strong hole confinement is predicted for the CZTS/Al2ZnO4 and CZTS/ZnSnO3 interfaces. A small conduction band offset of 0.31 eV is obtained for the CZTS/ZnSnO3 interface, indicating that ZnSnO3 should be considered for improving the efficiency of CZTS solar cells.

UR - http://hdl.handle.net/10754/653089

UR - https://onlinelibrary.wiley.com/doi/full/10.1002/pssr.201800649

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JO - physica status solidi (RRL) – Rapid Research Letters

JF - physica status solidi (RRL) – Rapid Research Letters

IS - 8

ER -

Ab-Initio Investigation of the Band Alignment Between Cu 2 ZnSnS 4 and Different Buffer Materials (Al 2 ZnO 4 , CeO 2 , ZnSnO 3 )

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