Effect of Na Doping on Electronic Structure, Electron Transport and Optical Absorption Properties of TiO 2 Materials [Na掺杂对TiO 2 基材料电子结构,电子迁移特性及光吸收性质的影响] - 文章详情页

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摘要：

The　electronic　structure,　carrier　transport　and　the　optical　absorption　proprerties　of　the　Na　doped　TiO　2　have　been　studied　by　the　pseudo-potential　density　functional　theory　method.　The　pure　TiO　2　has　direct　band　gap　of　2.438　eV　and　the　Na　doped　TiO　2　exibits　decreased　band　gap　value　of　1.976　eV.　The　pure　TiO　2　has　five　bands　while　the　Na　doped　TiO　2　has　seven　bands.　The　TiO　2　has　higher　carrier　mobility　than　that　of　the　Na　doped　TiO　2　,　however　the　Na　doped　TiO　2　has　heavier　carrier　effective　mass　than　that　of　the　TiO　2　.　The　dopant　Na　has　induced　hole　carriers　and　new　bands　in　to　the　valance　bands.　The　Na　doping　increases　the　carrier　concentration　of　the　TiO　2　,　the　Ti　p　electrons,　Na　p　electrons　and　the　O　p　electrons　play　importan　role　in　the　carrier　conduction　process.　The　optical　absorption　region　has　been　expanded　to　low　energy　range.　©　2018,　Chinese　Ceramic　Society.　All　right　reserved.

关键词：

Electronic transport properties; Na doping; Optical absorption; TiO 2

作者机构：

[ 1 ] [Tang, W.-H.]Academy of Physics and Electronic Engineering, Guangxi Normal University for Nationalities, Chongzuo, 532200, China
[ 2 ] [Fang, H.]Academy of Physics and Electronic Engineering, Guangxi Normal University for Nationalities, Chongzuo, 532200, China
[ 3 ] [Fang, H.]College of Materials Science and Engineering, Beijing University of Technology, Beijing, 100124, China
[ 4 ] [Li, F.-S.]Academy of Physics and Electronic Engineering, Guangxi Normal University for Nationalities, Chongzuo, 532200, China
[ 5 ] [Huang, C.-S.]Academy of Physics and Electronic Engineering, Guangxi Normal University for Nationalities, Chongzuo, 532200, China
[ 6 ] [Yu, X.-Y.]Academy of Physics and Electronic Engineering, Guangxi Normal University for Nationalities, Chongzuo, 532200, China
[ 7 ] [Wang, R.-Z.]College of Materials Science and Engineering, Beijing University of Technology, Beijing, 100124, China

通讯作者信息：

[Fang, H.]Academy of Physics and Electronic Engineering, Guangxi Normal University for NationalitiesChina

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