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

Gallium zinc oxynitride (Ga0.93Zn0.07)(N0.90O0.10) is a new type of photocatalyst that is capable of overall water splitting under visible light. The crystal structure of the (Ga0.93Zn0.07)(N0.90O0.10) was refined by Rietveld analyses of neutron powder diffraction data. The (Ga0.93Zn0.07)(N0.90O0.10) was confirmed to have a wurtzitetype 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 (Ga0.93Zn0.07)(N0.90O0.10) 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 (Ga0.93Zn0.07)(N0.90O0.10) is free of interstitial sites and large disorder.