期刊论文详细信息
Alternative structure of TiO2 with higher energy valence band edge | |
Article | |
关键词: QUASI-PARTICLE; PHOTOCATALYSIS; ABSORPTION; DYNAMICS; TITANIA; SURFACE; WATER; | |
DOI : 10.1103/PhysRevB.95.085422 | |
来源: SCIE |
【 摘 要 】
We propose an alternative structure of TiO2 anatase that has a higher energy oxygen p-like valence band maximum than pristine TiO2 anatase and thus has a much better alignment with the water splitting levels. This alternative structure is unique when considering a large subspace of possible structural distortions of TiO2 anatase. We propose two routes towards this state and argue that one of them might have been realized in the recently discovered so-called black TiO2.【 授权许可】
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