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

Ghorbani, Elaheh (2020)
On efficiency of earth-abundant chalcogenide photovoltaic materials buffered with CdS: The limiting effect of band alignment.
In: Journal of Physics: Energy, 2 (2)
doi: 10.1088/2515-7655/ab6942
Artikel, Bibliographie

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Kurzbeschreibung (Abstract)

Earth-abundant and environmentally-friendly Cu2-II-IV-VI4(II = Sr, Ba; IV = Ge, Sn; VI = S,Se) are considered materials 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 2 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 core level energies, band discontinuities are calculated at the buffer/absorber interface by first-principles calculations. 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.

Typ des Eintrags: Artikel
Erschienen: 2020
Autor(en): Ghorbani, Elaheh
Art des Eintrags: Bibliographie
Titel: On efficiency of earth-abundant chalcogenide photovoltaic materials buffered with CdS: The limiting effect of band alignment
Sprache: Englisch
Publikationsjahr: 8 Januar 2020
Verlag: IOP Publishing Ltd.
Titel der Zeitschrift, Zeitung oder Schriftenreihe: Journal of Physics: Energy
Jahrgang/Volume einer Zeitschrift: 2
(Heft-)Nummer: 2
DOI: 10.1088/2515-7655/ab6942
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Kurzbeschreibung (Abstract):

Earth-abundant and environmentally-friendly Cu2-II-IV-VI4(II = Sr, Ba; IV = Ge, Sn; VI = S,Se) are considered materials 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 2 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 core level energies, band discontinuities are calculated at the buffer/absorber interface by first-principles calculations. 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.

Freie Schlagworte: buffer/absorber interface, DFT, earth-abundant chalcogenide, chalcogens
Fachbereich(e)/-gebiet(e): 11 Fachbereich Material- und Geowissenschaften
11 Fachbereich Material- und Geowissenschaften > Materialwissenschaft
11 Fachbereich Material- und Geowissenschaften > Materialwissenschaft > Fachgebiet Materialmodellierung
Zentrale Einrichtungen
Zentrale Einrichtungen > Hochschulrechenzentrum (HRZ)
Zentrale Einrichtungen > Hochschulrechenzentrum (HRZ) > Hochleistungsrechner
Hinterlegungsdatum: 27 Jan 2020 07:06
Letzte Änderung: 10 Jan 2024 09:02
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Projekte: DFG, No. 414750661
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