Unveiling photoluminescent response of Ce-doped CaCu3Ti4O12: An experimental-theoretical approach

• Autor(a) principal: Moreno, H. [UNESP]
• Data de Publicação: 2022
• Outros Autores: Damm, M. [UNESP], Freitas, S. M., Rezende, M. V.S., Simões, A. Z. [UNESP], Biasotto, G. [UNESP], Mastelaro, V. R., Teixeira, V. C., Ramirez, M. A. [UNESP]
• Tipo de documento: Artigo
• Idioma: eng
• Título da fonte: Repositório Institucional da UNESP
• Texto Completo: http://dx.doi.org/10.1016/j.jallcom.2022.166185; http://hdl.handle.net/11449/242058
• topic: CaCu3Ti4O12; Ce-doped; Computing simulations; Optoelectronics; Photoluminescence

CaCu3Ti4O12: x% Ce (x = 0.00, 0.25, 0.50, 0.75, and 1.00) ceramic composites were prepared via solid-state reaction. Theoretical atomistic simulations were combined with experimental techniques to uncover Ce effects in the (micro)structure and photoluminescence of CaCu3Ti4O12-based ceramics. Application of perovskites ceramics in optoelectronics have been limited by their specific, narrow emission range, which compromise operational efficiency, pushing for the development of novel perovskite-emissive materials. This study results confirm that Ce ions are incorporated at Ca sites within the CaCu3Ti4O12 lattice, inducing point metal and oxygen vacancies in the optical bandgap region. Shallow-level defects (VCa′′/VO⦁⦁) were associated with broadband violet-blue photoluminescent (PL) emissions. Better color rendering may be a direct consequence of crystalline field splitting/wider PL emission. Furthermore, results demonstrate that PL on CaCu3Ti4O12: Ce system intensity can be modulated by structural defects, making it promising for applications in optoelectronics.