Issue 46, 2015

Engineering oxygen vacancies towards self-activated BaLuAlxZn4−xO7−(1−x)/2 photoluminescent materials: an experimental and theoretical analysis

Abstract

Novel self-activated yellow-emitting BaLuAlxZn4−xO7−(1−x)/2 photoluminescent materials were investigated by a combined experimental and theoretical analysis. The effects of Al/Zn composition modulation, calcination atmosphere and temperature on the crystal structure and photoluminescence properties have been studied via engineering oxygen vacancies. Accordingly, BaLuAl0.91Zn3.09O7 prepared in an air atmosphere was found to be the stable crystalline phase with optimal oxygen content and gave a broad yellow emission band with a maximum at 528 nm. The self-activated luminescence mechanism is ascribed to the O-vacancies based on the density functional theory (DFT) calculation. A theoretical model originating from the designed oxygen vacancies has been proposed in order to determine the influence of O-vacancies on the band structure and self-activated luminescence. Therefore, the appearance of a new local energy level in the band gap will cause the wide-band optical transitions in the studied BaLuAlxZn4−xO7−(1−x)/2 materials.

Graphical abstract: Engineering oxygen vacancies towards self-activated BaLuAlxZn4−xO7−(1−x)/2 photoluminescent materials: an experimental and theoretical analysis

Supplementary files

Article information

Article type
Paper
Submitted
28 Aug 2015
Accepted
27 Oct 2015
First published
28 Oct 2015

Phys. Chem. Chem. Phys., 2015,17, 31188-31194

Engineering oxygen vacancies towards self-activated BaLuAlxZn4−xO7−(1−x)/2 photoluminescent materials: an experimental and theoretical analysis

L. Ma, Z. Xia, V. Atuchin, M. Molokeev, S. Auluck, A. H. Reshak and Q. Liu, Phys. Chem. Chem. Phys., 2015, 17, 31188 DOI: 10.1039/C5CP05130D

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