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Maximizing Singlet Fission in Organic Dimers: Theoretical Investigation of Triplet Yield in the Regime of Localized Excitation and Fast Coherent Electron Transfer
- 1.0351997 - ÚOCHB 2011 RIV US eng J - Journal Article
Greyson, E. C. - Vura-Weis, J. - Michl, Josef - Ratner, M. A.
Maximizing Singlet Fission in Organic Dimers: Theoretical Investigation of Triplet Yield in the Regime of Localized Excitation and Fast Coherent Electron Transfer.
Journal of Physical Chemistry B. Roč. 114, č. 45 (2010), s. 14168-14177. ISSN 1520-6106. E-ISSN 1520-5207
Institutional research plan: CEZ:AV0Z40550506
Keywords : photophysics * singlet fission * DFT
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 3.603, year: 2010
Several promising chromophores are discussed and density functional theory is used to predict fission yield for each in the context of this mechanism. Finally, implications for chromophore design are discussed, and future experiments are suggested.
Permanent Link: http://hdl.handle.net/11104/0006181
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