Energy Band Alignment between Anatase and Rutile TiO2
Energy Band Alignment between Anatase and Rutile TiO2
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DOI：
10.1021/jz402165b
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发表时间：
2013-12-05
影响因子：
5.7
通讯作者：
Klein, Andreas
中科院分区：
文献类型：
--
作者：
Pfeifer, Verena;Erhart, Paul;Klein, Andreas
利用光电子能谱研究了锐钛矿和金红石型TiO2与RuO2和掺锡氧化铟（ITO）的界面形成。金红石的价带最大值比锐钛矿高0.7 +/- 0.1 eV。电子结构计算证实了这种排列，进一步表明这种排列与0 2p(z)孤对轨道形成的能带分裂有关。这种排列可以解释掺杂锐钛矿和金红石中电子浓度的不同以及混合相粒子光催化活性的增强。
Using photoelectron spectroscopy, the interface formation of anatase and rutile TiO2 with RuO2 and tin-doped indium oxide (ITO) is studied. It is consistently found that the valence band maximum of rutile is 0.7 +/- 0.1 eV above that of anatase. The alignment is confirmed by electronic structure calculations, which further show that the alignment is related to the splitting of the energy bands formed by the 0 2p(z), lone-pair orbitals. The alignment can explain the different electron concentrations in doped anatase and rutile and the enhanced photocatalytic activity of mixed phase particles.