Theoretical Characterization of the PC60BM:PDDTT Model for an Organic Solar Cell
(2011) In Journal of Physical Chemistry C 115(44). p.21865-21873- Abstract
- We use time-dependent density functional theory together with a set of extensive multidimensional visualization techniques to characterize band gap, optical absorption properties, intramolecular and intern-wreaths charge transfer, exciton binding energy, charge transfer integral, and the rate of charge transfer and recombination in the PC60BM:PDDTT Model of an organic,solar cell. These theoretical methods and calculation techniques only promote deeper understanding of the connection between chemical structures and the optical and electronic properties Of the donor-acceptor system but also can be used to rational design novel donor-acceptor system.
Please use this url to cite or link to this publication:
https://lup.lub.lu.se/record/2252750
- author
- Li, Yuanzuo ; Pullerits, Tönu LU ; Zhao, Meiyu and Sun, Mengtao
- organization
- publishing date
- 2011
- type
- Contribution to journal
- publication status
- published
- subject
- in
- Journal of Physical Chemistry C
- volume
- 115
- issue
- 44
- pages
- 21865 - 21873
- publisher
- The American Chemical Society (ACS)
- external identifiers
-
- wos:000296394300043
- scopus:80455129711
- ISSN
- 1932-7447
- DOI
- 10.1021/jp2040696
- language
- English
- LU publication?
- yes
- additional info
- The information about affiliations in this record was updated in December 2015. The record was previously connected to the following departments: Chemical Physics (S) (011001060)
- id
- f059c8d2-c788-48da-806c-d9cb44947e6a (old id 2252750)
- date added to LUP
- 2016-04-01 10:41:22
- date last changed
- 2023-11-10 01:58:55
@article{f059c8d2-c788-48da-806c-d9cb44947e6a, abstract = {{We use time-dependent density functional theory together with a set of extensive multidimensional visualization techniques to characterize band gap, optical absorption properties, intramolecular and intern-wreaths charge transfer, exciton binding energy, charge transfer integral, and the rate of charge transfer and recombination in the PC60BM:PDDTT Model of an organic,solar cell. These theoretical methods and calculation techniques only promote deeper understanding of the connection between chemical structures and the optical and electronic properties Of the donor-acceptor system but also can be used to rational design novel donor-acceptor system.}}, author = {{Li, Yuanzuo and Pullerits, Tönu and Zhao, Meiyu and Sun, Mengtao}}, issn = {{1932-7447}}, language = {{eng}}, number = {{44}}, pages = {{21865--21873}}, publisher = {{The American Chemical Society (ACS)}}, series = {{Journal of Physical Chemistry C}}, title = {{Theoretical Characterization of the PC60BM:PDDTT Model for an Organic Solar Cell}}, url = {{http://dx.doi.org/10.1021/jp2040696}}, doi = {{10.1021/jp2040696}}, volume = {{115}}, year = {{2011}}, }