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On efficiency of earth-abundant chalcogenide photovoltaic materials buffered with CdS: the limiting effect of band alignment

Ghorbani, Elaheh (2024)
On efficiency of earth-abundant chalcogenide photovoltaic materials buffered with CdS: the limiting effect of band alignment.
In: Journal of Physics: Energy, 2020, 2 (2)
doi: 10.26083/tuprints-00020438
Article, Secondary publication, Publisher's Version

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Item Type: Article
Type of entry: Secondary publication
Title: On efficiency of earth-abundant chalcogenide photovoltaic materials buffered with CdS: the limiting effect of band alignment
Language: English
Date: 9 January 2024
Place of Publication: Darmstadt
Year of primary publication: 2020
Place of primary publication: Bristol
Publisher: IOP Publishing
Journal or Publication Title: Journal of Physics: Energy
Volume of the journal: 2
Issue Number: 2
Collation: 9 Seiten
DOI: 10.26083/tuprints-00020438
Corresponding Links:
Origin: Secondary publication DeepGreen
Abstract:

Earth-abundant and environmentally-friendly Cu₂–II–IV–VI₄ (II = Sr, Ba; IV = Ge, Sn; VI = S,Se) are considered materials for the absorber layers in thin film solar cells. Attempts to understand and improve optoelectronic properties of these newly emerged absorbers resulted in an efficiency of 5.2% in less than two years. However, the energy band alignment at the buffer/absorber interface has not been studied yet; an information which is of crucial importance for designing high performance devices. Therefore, current study focuses on the band offsets between these materials and the CdS buffer. Using first-principles calculations, band discontinuities are calculated at the buffer/absorber interface. The results yield a type-II band alignment between all Cu₂–II–IV–VI₄ absorbers and CdS, hence a negative ΔEc. Adoption of a negative ΔEc (cliff-like conduction band offset) at the buffer/absorber interface, however, gives rise to low open circuit voltage and high interface-related recombinations. Therefore, it is necessary to search for an alternative buffer material that forms a type-I band alignment with these absorbers, where the conduction band minimum and the valence band maximum are both localized on the absorber side.

Uncontrolled Keywords: earth-abundant chalcogenides, band alignment, buffer/absorber interface, first-principles calculations
Status: Publisher's Version
URN: urn:nbn:de:tuda-tuprints-204382
Classification DDC: 500 Science and mathematics > 530 Physics
500 Science and mathematics > 540 Chemistry
Divisions: 11 Department of Materials and Earth Sciences > Material Science > Materials Modelling
Date Deposited: 09 Jan 2024 10:38
Last Modified: 05 Mar 2024 10:58
SWORD Depositor: Deep Green
URI: https://tuprints.ulb.tu-darmstadt.de/id/eprint/20438
PPN: 515973041
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