Classification of lattice defects and the microscopic origin of p-type conductivity of Sb<inf>2</inf>Se<inf>3</inf> solar cell absorber with varying Al<inf>2</inf>O<inf>3</inf>-layer thicknesses

Guo, H; Jia, X; Liu, J; Feng, Z; Zhang, S; Chen, Z; Tian, H; Qiu, J; Yuan, N; Ding, J

Classification of lattice defects and the microscopic origin of p-type conductivity of Sb<inf>2</inf>Se<inf>3</inf> solar cell absorber with varying Al<inf>2</inf>O<inf>3</inf>-layer thicknesses

Guo, H Jia, X

Liu, J Feng, Z Zhang, S Chen, Z Tian, H Qiu, J Yuan, N Ding, J

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Publisher:: Elsevier
Publication Type:: Journal Article
Citation:: Physica B: Condensed Matter, 2023, 648, pp. 414394
Issue Date:: 2023-01-01

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Field	Value	Language
dc.contributor.author	Guo, H
dc.contributor.author	Jia, X https://orcid.org/0000-0002-9214-6917
dc.contributor.author	Liu, J
dc.contributor.author	Feng, Z
dc.contributor.author	Zhang, S
dc.contributor.author	Chen, Z
dc.contributor.author	Tian, H
dc.contributor.author	Qiu, J
dc.contributor.author	Yuan, N
dc.contributor.author	Ding, J
dc.date.accessioned	2024-01-29T00:01:25Z
dc.date.available	2024-01-29T00:01:25Z
dc.date.issued	2023-01-01
dc.identifier.citation	Physica B: Condensed Matter, 2023, 648, pp. 414394
dc.identifier.issn	0921-4526
dc.identifier.uri	http://hdl.handle.net/10453/174985
dc.description.abstract	Based on first-principles calculations, herein, we reveal the origin of p-type conductivity and the roles of Al and O in the enhancement of hole concentration in Sb2Se3 thin films. A new class of low-energy defects with shallow acceptor levels is presented by substituting Se with O and inducing Sb vacancy [OSe–VSb] complex. Moreover, the concentration of holes induced by the intrinsic and extrinsic defects is calculated and discussed. Our results can explain the intriguing experimental observation where the hole concentration is enhanced after Al2O3 capping and provide a new insight to the defect chemistry and physics of Sb2Se3 thin films. In addition, Al2O3 layers with varying thicknesses have been deposited on the surface of Sb2Se3 films. The crystallinity, orientation and electrical properties of Sb2Se3 films have been investigated in detail. Lastly, 6.87% efficiency of Sb2Se3 solar cells without other optimization has been obtained based on the structure of FTO/CdS (CBD)/Sb2Se3/Al2O3/Au.
dc.language	en
dc.publisher	Elsevier
dc.relation.ispartof	Physica B: Condensed Matter
dc.relation.isbasedon	10.1016/j.physb.2022.414394
dc.rights	info:eu-repo/semantics/closedAccess
dc.subject	0204 Condensed Matter Physics, 0206 Quantum Physics, 0303 Macromolecular and Materials Chemistry
dc.subject.classification	General Physics
dc.subject.classification	5104 Condensed matter physics
dc.title	Classification of lattice defects and the microscopic origin of p-type conductivity of Sb<inf>2</inf>Se<inf>3</inf> solar cell absorber with varying Al<inf>2</inf>O<inf>3</inf>-layer thicknesses
dc.type	Journal Article
utslib.citation.volume	648
utslib.for	0204 Condensed Matter Physics
utslib.for	0206 Quantum Physics
utslib.for	0303 Macromolecular and Materials Chemistry
pubs.organisational-group	University of Technology Sydney
pubs.organisational-group	University of Technology Sydney/Faculty of Engineering and Information Technology
pubs.organisational-group	University of Technology Sydney/Faculty of Engineering and Information Technology/School of Computer Science
utslib.copyright.status	closed_access	*
dc.date.updated	2024-01-29T00:01:20Z
pubs.publication-status	Published
pubs.volume	648

Abstract:

Based on first-principles calculations, herein, we reveal the origin of p-type conductivity and the roles of Al and O in the enhancement of hole concentration in Sb2Se3 thin films. A new class of low-energy defects with shallow acceptor levels is presented by substituting Se with O and inducing Sb vacancy [OSe–VSb] complex. Moreover, the concentration of holes induced by the intrinsic and extrinsic defects is calculated and discussed. Our results can explain the intriguing experimental observation where the hole concentration is enhanced after Al2O3 capping and provide a new insight to the defect chemistry and physics of Sb2Se3 thin films. In addition, Al2O3 layers with varying thicknesses have been deposited on the surface of Sb2Se3 films. The crystallinity, orientation and electrical properties of Sb2Se3 films have been investigated in detail. Lastly, 6.87% efficiency of Sb2Se3 solar cells without other optimization has been obtained based on the structure of FTO/CdS (CBD)/Sb2Se3/Al2O3/Au.

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http://hdl.handle.net/10453/174985