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学科主题: 物理化学
题名: Small-polaron Model vs. Rigid-band Model in the Determination of Band-edge Positions from Flat-band Potentials for Semiconductors and the Application to TiO2
作者: Li GL(李国岭) ;  Li WX(李微雪) ;  Li C(李灿)
会议名称: The 2nd US-China Partnership workshop on Surface Science and Heterogeneous Catalysis
会议日期: 2009-6-14
出版日期: 2009-06-14
会议地点: China
通讯作者: Wei-Xue Li
部门归属: 五室
主办者: 大连化学物理研究所
摘要: The standard relationship between band-edge position and flat-band potential for a non-degenerate semiconductor is based on rigid-band model. We theoretically show that this standard relationship gives invalid band-edge positions for small-polaron semiconductors, and propose a new one based on small-polaron model. The reassigned band-edge positions and the small-polaron band are crucial to properly understand pure and/or lattice-coupled electronic processes of photo-induced interfacial charge transfer for small-polaron semiconductors. Applications are demonstrated in small-polaron-like rutile and rigid-band-like anatase TiO2, in which we rationalize the dilemma of charge transfer at rutile/anatase interface in mixed-phase TiO2 for photocatalysis, and revisit the electron-injection process in dye-sensitized TiO2 solar cells.
语种: 中文
内容类型: 会议论文
URI标识: http://cas-ir.dicp.ac.cn/handle/321008/113898
Appears in Collections:中国科学院大连化学物理研究所_会议论文

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Recommended Citation:
Li GL,Li WX,Li C. Small-polaron Model vs. Rigid-band Model in the Determination of Band-edge Positions from Flat-band Potentials for Semiconductors and the Application to TiO2[C]. 见:The 2nd US-China Partnership workshop on Surface Science and Heterogeneous Catalysis. China. 2009-6-14.
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