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Main Title: Synthesis and crystal structure of δ-TaON, a metastable polymorph of tantalum oxide nitride
Author(s): Lüdtke, Tobias Clemens
Schmidt, Alexander
Göbel, Caren
Fischer, Anna
Becker, Nils
Reimann, Christoph
Bredow, Thomas
Dronskowski, Richard
Lerch, Martin
Type: Article
Language Code: en
Is Part Of: 10.14279/depositonce-6027
Abstract: δ-TaON was prepared by reaction of gaseous ammonia with an amorphous tantalum oxide precursor. As a representative of the anatase structure (aristotype) it crystallizes in the tetragonal crystal system with lattice parameters a = 391.954(16) pm and c = 1011.32(5) pm. At temperatures between 800 and 850 °C an irreversible phase transformation to baddeleyite-type β-TaON is observed. While quantum-chemical calculations confirm the metastable character of δ-TaON, its transformation to β-TaON is kinetically controlled. The anion distribution of the anatase-type phase was studied theoretically. In agreement with previous studies, it was found that a configuration with maximal N–N distances is most stable. The calculated band edge energies indicate that δ-TaON is a promising photocatalytic material for redox reactions, e.g., water splitting.
Issue Date: 2014
Date Available: 23-Dec-2017
DDC Class: 546 Anorganische Chemie
Subject(s): δ-TaON
metastable polymorph
tantalum oxide nitride
Journal Title: Inorganic chemistry
Publisher: American Chemical Society
Publisher Place: Washington, DC
Volume: 53
Issue: 21
Publisher DOI: 10.1021/ic501726m
Page Start: 11691
Page End: 11698
ISSN: 1520-510X
Appears in Collections:FG Anorganische Chemie - Festkörper- und Materialchemie » Publications

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