The electronic structure and the photoluminescence property of the photocatalyst BaZn1/3Nb2/3O3

TitleThe electronic structure and the photoluminescence property of the photocatalyst BaZn1/3Nb2/3O3
Publication TypeJournal Article
Year of Publication2007
AuthorsXu B, Zhang WF, Liu XY, Yin J, Liu ZG
Journal TitleJournal of Materials Research
Volume22
Pages2185-2188
Date PublishedAug
Type of ArticleArticle
ISBN Number0884-2914
Accession NumberISI:000248521500020
KeywordsBA2+, CA2+, CDS, dynamics, ni, oxides, SR2+, TA, VISIBLE-LIGHT IRRADIATION, water
Abstract

The photocatalyst BaZn1/3Nb2/3O3 with ABO(3) perovskite structure has been synthesized by using a solid-state reaction process. It was characterized by x-ray diffraction and photoluminescence spectroscopy. The luminescence band centers around 285 nm and shows a large Stokes shift compared with the excitation spectrum, indicating a strong electron-phonon interaction in the photocatalyst BaZn1/3Nb2/3O3, The electronic structure of BaZn1/3Nb2/3O3 was calculated by using the pseudopotential method of the density function theory. It shows that the conduction band should be mainly composed of the Nb 4d states, and the valence band should be mainly composed of the O 2p state. The densities of the O 2p states and the Zn 4s states at the bottom of the conduction band are very low. The Zn 4s states show an expanded structure, which was proposed to be helpful for the migration of the photoexcited carriers, thus favoring the photocatalytic activity of BaZn1/3Nb2/3O3.

DOI10.1557/jmr.2007.0276
Alternate JournalJ. Mater. Res.