Study on the energy band structure and photoelectrochemical performances of spinel Li4Ti5O12

• Spinel Li4Ti5O12 possesses more positive potential of valence band and wider band gap than TiO2.
• Spinel Li4Ti5O12 displays typical n-type semiconductor characteristic and excellent UV-excitateded photocatalysis activity.
• Our preliminary study will open new perspectives in investigation of other lithium-based compounds for new photocatalysts.

Energy band structure, photoelectrochemical performances and photocatalysis activity of spinel Li4Ti5O12 are investigated for the first time in this paper. Li4Ti5O12 possesses more positive valence band potential and wider band gap than TiO2 due to its valence band consisting of Li1s and Ti3d orbitals mixed with O2p. Li4Ti5O12 shows typical photocatalysis material characteristics and excellent photocatlytic activity under UV irradiation.

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