Issue 35, 2023

Chemical states and local structure in Cu-deficient CuxInSe∼2 thin films: insights into engineering and bandgap narrowing

Abstract

The Cu-deficient CuxInSe∼2 (x > 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+δ 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.

Graphical abstract: Chemical states and local structure in Cu-deficient CuxInSe∼2 thin films: insights into engineering and bandgap narrowing

  • This article is part of the themed collection: #MyFirstJMCC

Supplementary files

Article information

Article type
Paper
Submitted
19 juin 2023
Accepted
14 août 2023
First published
14 août 2023

J. Mater. Chem. C, 2023,11, 12016-12028

Chemical states and local structure in Cu-deficient CuxInSe∼2 thin films: insights into engineering and bandgap narrowing

A. Y. Mohamed, B. G. Han, H. Jang, J. O. Jeon, Y. Kim, H. Jang, M. G. Kim, K. Lee and D. Cho, J. Mater. Chem. C, 2023, 11, 12016 DOI: 10.1039/D3TC02135A

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