DOI: 10.1063/1.3682503. Crystal and electronic structures of Cu<i>x</i>S solar cell absorbers

Crystal and electronic structures of CuxS solar cell absorbers

10.1063/1.3682503

Crossref journal-article

AIP Publishing

Applied Physics Letters (317)

Abstract

The crystal and electronic band structures of CuxS(1.25 &lt; x ≤ 2) are systematically studied using the density-functional theory method. For Cu2S, all the three chalcocite phases, i.e., the low-chalcocite, the high-chalcocite, and the cubic-chalcocite phases have direct band gaps around 1.3–1.5 eV, with the low-chalcocite being the most stable one. However, Cu vacancies can form spontaneously in these compounds, causing instability of Cu2S. We find that under Cu-rich condition, the anilite Cu1.75S is the most stable structure. It has a predicted band gap of 1.4 eV and could a promising solar cell absorber.

Bibliography

Xu, Q., Huang, B., Zhao, Y., Yan, Y., Noufi, R., & Wei, S.-H. (2012). Crystal and electronic structures of CuxS solar cell absorbers. Applied Physics Letters, 100(6).

Authors 6

Qiang Xu (first)
Bing Huang (additional)
Yufeng Zhao (additional)
Yanfa Yan (additional)
Rommel Noufi (additional)
Su-Huai Wei (additional)

References 19 Referenced 115

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{'key': '2023070516545495000_c19'}

Dates

Type	When
Created	13 years, 6 months ago (Feb. 9, 2012, 3:52 p.m.)
Deposited	2 years, 1 month ago (July 5, 2023, 5:05 p.m.)
Indexed	1 day, 23 hours ago (Aug. 21, 2025, 2:15 p.m.)
Issued	13 years, 6 months ago (Feb. 6, 2012)
Published	13 years, 6 months ago (Feb. 6, 2012)
Published Online	13 years, 6 months ago (Feb. 8, 2012)
Published Print	13 years, 6 months ago (Feb. 6, 2012)

Funders 0

None

BibTeX

@article{Xu_2012, title={Crystal and electronic structures of CuxS solar cell absorbers}, volume={100}, ISSN={1077-3118}, url={http://dx.doi.org/10.1063/1.3682503}, DOI={10.1063/1.3682503}, number={6}, journal={Applied Physics Letters}, publisher={AIP Publishing}, author={Xu, Qiang and Huang, Bing and Zhao, Yufeng and Yan, Yanfa and Noufi, Rommel and Wei, Su-Huai}, year={2012}, month=feb }

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