DICP OpenIR
学科主题物理化学
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
Li GL(李国岭); Li WX(李微雪); Li C(李灿); Wei-Xue Li
会议名称The 2nd US-China Partnership workshop on Surface Science and Heterogeneous Catalysis
会议日期2009-6-14
2009-06-14
会议地点China
页码7/1
部门归属五室
主办者大连化学物理研究所
英文摘要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
文献类型会议论文
条目标识符http://cas-ir.dicp.ac.cn/handle/321008/113898
专题中国科学院大连化学物理研究所
通讯作者Wei-Xue Li
推荐引用方式
GB/T 7714
Li GL,Li WX,Li C,et al. 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],2009:7/1.
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