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Descripción
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| Band alignment is key to enhance the performance of heterojunction for chalcopyrite thin film solar cells. In this paper we report ab initio calculations of the electronic structures of CuGaS2:Cr with various Cr compositions, CuAlSe2 and ZnSe and the band alignment between their interfaces. We use density functional theory and the more accurate self-consistent GW scheme to obtain improved bulk band-gaps and band offsets. Band alignments of the interfacial region for CuGaS2:Cr/CuAlSe2 and CuGaS2:Cr/ZnSe systems were aligned with respect of an average electrostatic potential. Our results are in good agreement with experimental values for the bulk band-gaps. These theoretical band alignments show a characteristic staggered band alignment for the design of heterojunction devices in photovoltaic applications. | |
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Internacional
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Si |
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JCR del ISI
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Si |
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Título de la revista
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Applied Surface Science |
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ISSN
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0169-4332 |
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Factor de impacto JCR
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3,387 |
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Información de impacto
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Volumen
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424 |
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DOI
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10.1016/j.apsusc.2016.12.237 |
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Número de revista
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Desde la página
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132 |
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Hasta la página
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1363 |
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Mes
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Ranking
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