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	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)
	2009-06-14
会议名称	the 2nd us-china partnership workshop on surface science and heterogeneous catalysis
会议日期	2009-6-14
会议地点	china
页码	7/1
通讯作者	wei-xue li
中文摘要	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.
会议主办者	大连化学物理研究所
学科主题	物理化学
语种	中文
内容类型	会议论文
源URL	[http://159.226.238.44/handle/321008/113898]
专题	大连化学物理研究所_中国科学院大连化学物理研究所
推荐引用方式 GB/T 7714	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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