Quantum Confinement and Electronic Properties of Rutile TiO2 Nanowires
文献类型：期刊论文
| 作者 | Li JB
|
| 刊名 | journal of physical chemistry c
 |
| 出版日期 | 2008 |
| 卷号 | 112期号:51页码:20241-20245 |
| 关键词 | TOTAL-ENERGY CALCULATIONS SENSITIZED SOLAR-CELLS WAVE BASIS-SET TITANIUM-DIOXIDE NANOPARTICLES EFFICIENCY DOTS |
| ISSN号 | 1932-7447 |
| 通讯作者 | li jb chinese acad sci inst semicond state key lab superlattices & microstruct pob 912 beijing 100083 peoples r china. |
| 中文摘要 | the quantum confinement effect, electronic properties, and optical properties of tio2 nanowires in rutile structure are investigated via first-principles calculations. we calculate the size- and shape-dependent band gap of the nanowires and fit the results with the function e-g = e-g(bulk) + beta/d(alpha). we find that the quantum confinement effect becomes significant for d < 25 angstrom, and a notable anisotropy exists that arises from the anisotropy of the effective masses. we also evaluate the imaginary part of the frequency-dependent dielectric function [epsilon(2)(omega)] within the electric-dipole approximation, for both the polarization parallel [epsilon(parallel to)(2)(omega)] and the perpendicular [epsilon 1/2(omega)] to the axial (c) direction. the band structure of the nanowires is calculated, with which the fine structure of epsilon(parallel to)(2)(omega) has been analyzed. |
| 学科主题 | 半导体化学 |
| 收录类别 | SCI |
| 资助信息 | chinese academy of sciences j.l. gratefully acknowledges financial support from the "one-hundred talents plan" of the chinese academy of sciences. we also acknowledge jurgen furthmuller for utilizing his code21 to calculate the optical properties. |
| 语种 | 英语 |
| 公开日期 | 2010-03-08 |
| 源URL | [http://ir.semi.ac.cn/handle/172111/7447]  |
| 专题 | 半导体研究所_中国科学院半导体研究所（2009年前） |
| 推荐引用方式 GB/T 7714 | Li JB. Quantum Confinement and Electronic Properties of Rutile TiO2 Nanowires[J]. journal of physical chemistry c,2008,112(51):20241-20245. |
| APA | Li JB.(2008).Quantum Confinement and Electronic Properties of Rutile TiO2 Nanowires.journal of physical chemistry c,112(51),20241-20245. |
| MLA | Li JB."Quantum Confinement and Electronic Properties of Rutile TiO2 Nanowires".journal of physical chemistry c 112.51(2008):20241-20245. |
入库方式： OAI收割
来源：半导体研究所
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