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Crystal Structure, Thermal Behavior, and Photocatalytic Activity of NaBiO3· nH2O
Md Saiduzzaman1, Sayaka Yanagida1, Takahiro Takei1
1Center for Crystal Science and Technology , University of Yamanashi , 7-32 Miyamae-cho , Kofu , Yamanashi 400-8511 , Japan.
Abstract:
The crystal structure of NaBiO3· nH2O was refined using synchrotron powder X-ray diffraction and was assigned to a trigonal unit cell (space group P3̅) consisting of layered structures formed by edge-sharing BiO6 octahedra and consisting of an interlayer composed of water molecules sandwiched between two layers of sodium atoms, perpendicular to the c axis. An intermediate phase was observed during the dehydration of the hydrated compound. Density of state calculations showed hybridization of the Bi 6s and O 2p orbitals at the bottom of the conduction bands for both the hydrated and the dehydrated phases, which narrows the band gap and promotes their photocatalytic activity in the visible region.
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