Chemical States and Local Structure in Cu-Deficient CuInSe2 Thin Films: Insights into Engineering and Bandgap Narrowing
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| Main Authors: | , , , , , , , , |
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| Format: | Preprint |
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2025
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| _version_ | 1866908604457549824 |
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| author | Mohamed, Ahmed Yousef Han, Byoung Gun Jang, Hyeonseo Jeon, Jun Oh Kim, Yejin Jang, Haeseong Kim, Min Gyu Lee, Kug-Seung Cho, Deok-Yong |
| author_facet | Mohamed, Ahmed Yousef Han, Byoung Gun Jang, Hyeonseo Jeon, Jun Oh Kim, Yejin Jang, Haeseong Kim, Min Gyu Lee, Kug-Seung Cho, Deok-Yong |
| contents | The Cu-deficient CuxInSe2 (x larger than 0.3) phase can be stabilized as a thin film. A uniform Cu-deficient composition with a chalcopyrite structure was obtained by the precision engineering of a two-step synthesis process involving electron-beam evaporation and Se vapor deposition. Detailed structural and chemical analyses were performed employing various X-ray and microscopic techniques to demonstrate that the chemical states and local structure in the Cu-Se-In tetrahedral networks change with the loss of Cu, the In-Se bond becomes shorter, and the In ions become excessively oxidized without phase separation. Moreover, the results indicate that the bandgap narrowing is primarily attributed to the reconstruction of In3+d 5s orbital states. The bandgap narrows from 1.51 eV to 1.4 eV, which is optimal for the photon absorber. Therefore, cation-deficient selenide is promising for stable nontoxic photovoltaics with tunable bandgaps. |
| format | Preprint |
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arxiv_https___arxiv_org_abs_2510_18331 |
| institution | arXiv |
| publishDate | 2025 |
| record_format | arxiv |
| spellingShingle | Chemical States and Local Structure in Cu-Deficient CuInSe2 Thin Films: Insights into Engineering and Bandgap Narrowing Mohamed, Ahmed Yousef Han, Byoung Gun Jang, Hyeonseo Jeon, Jun Oh Kim, Yejin Jang, Haeseong Kim, Min Gyu Lee, Kug-Seung Cho, Deok-Yong Materials Science The Cu-deficient CuxInSe2 (x larger than 0.3) phase can be stabilized as a thin film. A uniform Cu-deficient composition with a chalcopyrite structure was obtained by the precision engineering of a two-step synthesis process involving electron-beam evaporation and Se vapor deposition. Detailed structural and chemical analyses were performed employing various X-ray and microscopic techniques to demonstrate that the chemical states and local structure in the Cu-Se-In tetrahedral networks change with the loss of Cu, the In-Se bond becomes shorter, and the In ions become excessively oxidized without phase separation. Moreover, the results indicate that the bandgap narrowing is primarily attributed to the reconstruction of In3+d 5s orbital states. The bandgap narrows from 1.51 eV to 1.4 eV, which is optimal for the photon absorber. Therefore, cation-deficient selenide is promising for stable nontoxic photovoltaics with tunable bandgaps. |
| title | Chemical States and Local Structure in Cu-Deficient CuInSe2 Thin Films: Insights into Engineering and Bandgap Narrowing |
| topic | Materials Science |
| url | https://arxiv.org/abs/2510.18331 |