Potential surfaces and delocalization of excitons in dimers
(2002) In Journal of Chemical Physics 117(12). p.5810-5820- Abstract
- In the present work we will demonstrate that the nuclear dynamics have a strong influence on the delocalization of an exciton in a dimer, even if they do not effect the excitonic interaction. It will be shown that the internal nuclear conformation of the molecules forming the dimer depends critically on the delocalization of the exciton state in the dimer and vice versa. The resulting closed loop enforces a localization of the lower excitonic state, but, contrary to the commonly accepted view, a delocalization of the upper one. Qualitatively different time-evolution of the delocalization length for the lower and upper excitonic state will be shown. Besides, it will turn out that the nuclear motions inhibit a complete delocalization of the... (More)
- In the present work we will demonstrate that the nuclear dynamics have a strong influence on the delocalization of an exciton in a dimer, even if they do not effect the excitonic interaction. It will be shown that the internal nuclear conformation of the molecules forming the dimer depends critically on the delocalization of the exciton state in the dimer and vice versa. The resulting closed loop enforces a localization of the lower excitonic state, but, contrary to the commonly accepted view, a delocalization of the upper one. Qualitatively different time-evolution of the delocalization length for the lower and upper excitonic state will be shown. Besides, it will turn out that the nuclear motions inhibit a complete delocalization of the excitonic state in any case. To accomplish nuclear and exciton dynamics, the nonadiabatic coupling between the two excitonic states will be deduced. This causes a relaxation from the upper to the lower excitonic state, which limits the maximum reachable exciton delocalization. (Less)
Please use this url to cite or link to this publication:
https://lup.lub.lu.se/record/329444
- author
- Beenken, Wichard LU ; Dahlbom, Mats LU ; Kjellberg, Pär LU and Pullerits, Tönu LU
- organization
- publishing date
- 2002
- type
- Contribution to journal
- publication status
- published
- subject
- in
- Journal of Chemical Physics
- volume
- 117
- issue
- 12
- pages
- 5810 - 5820
- publisher
- American Institute of Physics (AIP)
- external identifiers
-
- wos:000177825500033
- scopus:0037159078
- ISSN
- 0021-9606
- DOI
- 10.1063/1.1502647
- 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
- 031b2b92-e8b6-4162-9f4e-3ec1f3d31bf2 (old id 329444)
- date added to LUP
- 2016-04-01 11:46:04
- date last changed
- 2022-04-20 21:30:40
@article{031b2b92-e8b6-4162-9f4e-3ec1f3d31bf2, abstract = {{In the present work we will demonstrate that the nuclear dynamics have a strong influence on the delocalization of an exciton in a dimer, even if they do not effect the excitonic interaction. It will be shown that the internal nuclear conformation of the molecules forming the dimer depends critically on the delocalization of the exciton state in the dimer and vice versa. The resulting closed loop enforces a localization of the lower excitonic state, but, contrary to the commonly accepted view, a delocalization of the upper one. Qualitatively different time-evolution of the delocalization length for the lower and upper excitonic state will be shown. Besides, it will turn out that the nuclear motions inhibit a complete delocalization of the excitonic state in any case. To accomplish nuclear and exciton dynamics, the nonadiabatic coupling between the two excitonic states will be deduced. This causes a relaxation from the upper to the lower excitonic state, which limits the maximum reachable exciton delocalization.}}, author = {{Beenken, Wichard and Dahlbom, Mats and Kjellberg, Pär and Pullerits, Tönu}}, issn = {{0021-9606}}, language = {{eng}}, number = {{12}}, pages = {{5810--5820}}, publisher = {{American Institute of Physics (AIP)}}, series = {{Journal of Chemical Physics}}, title = {{Potential surfaces and delocalization of excitons in dimers}}, url = {{http://dx.doi.org/10.1063/1.1502647}}, doi = {{10.1063/1.1502647}}, volume = {{117}}, year = {{2002}}, }