化学
光催化
价(化学)
可见光谱
辐照
带隙
光化学
水溶液
原子轨道
密度泛函理论
电化学
氧化还原
分析化学(期刊)
电子
物理化学
无机化学
计算化学
催化作用
材料科学
电极
光电子学
有机化学
物理
量子力学
生物化学
核物理学
色谱法
作者
Akio Ishikawa,Tsuyoshi Takata,Junko N. Kondo,Masahiko Hara,Hisayoshi Kobayashi,Kazunari Domen
摘要
A Ti-based oxysulfide, Sm(2)Ti(2)S(2)O(5), was studied as a visible light-driven photocatalyst. Under visible light (440 nm < or = lambda < or = 650 nm) irradiation, Sm(2)Ti(2)S(2)O(5) with a band gap of approximately 2 eV evolved H(2) or O(2) from aqueous solutions containing a sacrificial electron donor (Na(2)S-Na(2)SO(3) or methanol) or acceptor (Ag(+)) without any noticeable degradation. This oxysulfide is, therefore, a stable photocatalyst with strong reduction and oxidation abilities under visible-light irradiation. The electronic band structure of Sm(2)Ti(2)S(2)O(5) was calculated using the plane-wave-based density functional theory (DFT) program. It was elucidated that the S3p orbitals constitute the upper part of the valence band and these orbitals make an essential contribution to the small band gap energy. The conduction and valence bands' positions of Sm(2)Ti(2)S(2)O(5) were also determined by electrochemical measurements. It indicated that conduction and valence bands were found to have satisfactory potentials for the reduction of H(+) to H(2) and the oxidation of H(2)O to O(2) at pH = 8. This is consistent with the results of the photocatalytic reactions.
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