Theoretical Evidence for the Distance-Dependent Photoinduced Electron Transfer of Porphyrin-Oligothiophene-Fullerene Triads
Joint Authors
Song, Peng
Liu, Jing
Ma, Fengcai
Ding, Yong
Han, Yueyi
Li, Yuanzuo
Zhang, Shan
Zhao, Meiyu
Source
International Journal of Photoenergy
Issue
Vol. 2012, Issue 2012 (31 Dec. 2012), pp.1-10, 10 p.
Publisher
Hindawi Publishing Corporation
Publication Date
2012-12-10
Country of Publication
Egypt
No. of Pages
10
Main Subjects
Abstract EN
The ground and excited state properties of nT-C60 dyads and Por-nT-C60 triads (n=4, 8, and 12) have been theoretically investigated by using the time-dependent density functional theory together with a set of extensive multidimensional visualization techniques.
The results reveal that the length of the nT moiety strongly influences the charge transfer characters of these systems.
The charge transfer ability is largely strengthened by introducing the porphyrin group and decreases with the length of the nT moiety.
Also the adjustment of the electron transport mode of Por-nT-C60 triads by the length of the nT moiety was visualized.
It is found that Por*-4T-C60 shows predominantly the energy transfer process generating Por-4T-1C60* but the charge transfer becomes predominant for other triads, such as the direct formation of Por∙+-12T-C60∙− via Por*-12T-C60.
Furthermore, the process of Por∙−-8T∙+-C60→Por-8T∙+-C60∙− via Por*-8T-C60 has been proved to be possible.
Finally, the energetically most stable final charge transfer excited state is confirmed to be Por-nT∙+-C60∙−.
American Psychological Association (APA)
Zhang, Shan& Li, Yuanzuo& Liu, Jing& Zhao, Meiyu& Han, Yueyi& Ding, Yong…[et al.]. 2012. Theoretical Evidence for the Distance-Dependent Photoinduced Electron Transfer of Porphyrin-Oligothiophene-Fullerene Triads. International Journal of Photoenergy،Vol. 2012, no. 2012, pp.1-10.
https://search.emarefa.net/detail/BIM-462764
Modern Language Association (MLA)
Zhang, Shan…[et al.]. Theoretical Evidence for the Distance-Dependent Photoinduced Electron Transfer of Porphyrin-Oligothiophene-Fullerene Triads. International Journal of Photoenergy No. 2012 (2012), pp.1-10.
https://search.emarefa.net/detail/BIM-462764
American Medical Association (AMA)
Zhang, Shan& Li, Yuanzuo& Liu, Jing& Zhao, Meiyu& Han, Yueyi& Ding, Yong…[et al.]. Theoretical Evidence for the Distance-Dependent Photoinduced Electron Transfer of Porphyrin-Oligothiophene-Fullerene Triads. International Journal of Photoenergy. 2012. Vol. 2012, no. 2012, pp.1-10.
https://search.emarefa.net/detail/BIM-462764
Data Type
Journal Articles
Language
English
Notes
Includes bibliographical references
Record ID
BIM-462764