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Updated: Jun 29, 2026

Influence of Hybrid Perovskite Fabrication Methods on Film Formation, Electronic Structure, and Solar Cell Performance
Published on: February 27, 2017
Structural Characterization and Influence of Defects on the Optical Properties of the Oxygen-Deficient Perovskite
Cyrille Galven1, Maxime Ducamp2, Xavier Rocquefelte2
1Institut des Molécules et Matériaux du Mans (IMMM), UMR CNRS 6283, Le Mans Université, Avenue Olivier Messiaen, 72085 Le Mans Cedex 9, France.
Abstract:
A new oxygen-deficient perovskite Ba3LiNb2O8.5□0.5 was synthesized via a conventional solid-state route and compared to the already known perovskite Ba3Li0.75Nb2.25O9. The structure of Ba3LiNb2O8.5□0.5 was investigated by means of X-ray and neutron diffraction, TEM, NMR, and XPS. The study of its thermal behavior revealed an unexpected color change when heated to 1400 °C in a sealed platinum tube, with conservation of the initial X-ray structure. First-principles calculations have been performed in order to better understand these observations. The geometry optimizations and the optical spectra simulations highlight the role of both Nb/Li distribution and oxygen-vacancy location.
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