首页 | 本学科首页   官方微博 | 高级检索  
     


Optical properties of dye sensitized TiO2 nanowires from time‐dependent density functional theory
Authors:Dick Hartmann Douma  Ralph Gebauer
Affiliation:1. The Abdus Salam International Centre for Theoretical Physics (ICTP), Strada Costiera 11, 34151 Trieste, Italy;2. Department of Physics, Faculty of Sciences, Marien Ngouabi University, P.O. Box 69, Brazzaville, Congo;3. CNR‐IOM DEMOCRITOS Simulation Center, 34136 Trieste, Italy
Abstract:We present a computational study based on time‐dependent density functional theory of the optical absorption spectra of TiO2 nanowires sensitized with organic dye molecules. We concentrate on catechol and squaraine dyes. For those molecules, we compute adsorption geometries and energies and investigate the optical properties of the combined dye– nanowire system. We find that although the molecules have qualitatively different optical spectra in the gas phase, both lead to an enhancement of the absorption in the visible frequency range when adsorbed on a nanowire.
image

Keywords:solar cells  nanowires  dye sensitization  optical absorption  time‐dependent density functional theory  TiO2
设为首页 | 免责声明 | 关于勤云 | 加入收藏

Copyright©北京勤云科技发展有限公司  京ICP备09084417号