Crystal Structure Analysis of (Ga0.93Zn0.07)(N0.90O0.10) Oxynitride Photocatalyst

Masatomo Yashima; Kazuhiko Maeda; Kentaro Teramura; Tsuyoshi Takata; Kazunari Domen

doi:10.2320/matertrans.47.295

Crystal Structure Analysis of (Ga_0.93Zn_0.07)(N_0.90O_0.10) Oxynitride Photocatalyst

Masatomo Yashima, Kazuhiko Maeda, Kentaro Teramura, Tsuyoshi Takata, Kazunari Domen

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Keywords: crystal structure, photocatalyst, gallium zinc oxynitride, Rietveld method, maximum-entropy method, neutron scattering amplitude distribution

JOURNAL FREE ACCESS

2006 Volume 47 Issue 2 Pages 295-297

DOI https://doi.org/10.2320/matertrans.47.295

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Abstract

Gallium zinc oxynitride (Ga_0.93Zn_0.07)(N_0.90O_0.10) is a new type of photocatalyst that is capable of overall water splitting under visible light. The crystal structure of the (Ga_0.93Zn_0.07)(N_0.90O_0.10) was refined by Rietveld analyses of neutron powder diffraction data. The (Ga_0.93Zn_0.07)(N_0.90O_0.10) was confirmed to have a wurtzite-type structure (space group: P6₃mc). The present work demonstrates that oxygen substitutes for nitrogen in the crystal structure, and may be responsible for the desirable optical properties of (Ga_0.93Zn_0.07)(N_0.90O_0.10) as a photocatalyst for visible light-driven overall water splitting. The neutron scattering amplitude distribution through the maximum-entropy method (MEM) and MEM-based pattern fitting revealed that the crystal structure of the (Ga_0.93Zn_0.07)(N_0.90O_0.10) is free of interstitial sites and large disorder.

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