Distinct contiguous versus separated triplet-pair multiexcitons in an intramolecular singlet fission chromophore

被引：0
|
作者：
Chesler, R. [1 ]
Bhattacharyya, P. [2 ]
Shukla, A. [3 ]
Mazumdar, S. [1 ]
机构：
[1] Univ Arizona, Dept Phys, Tucson, AZ 85721 USA
[2] Leibniz IFW Dresden, Inst Theoret Solid State Phys, Helmholtzstr 20, D-01069 Dresden, Germany
[3] Indian Inst Technol, Dept Phys, Mumbai 400076, India
来源：
PHYSICAL REVIEW B | 2024年 / 110卷 / 12期
关键词：
ELECTRONIC-STRUCTURE; EXCITON FISSION; STATES; MODEL;
D O I：
10.1103/PhysRevB.110.L121104
中图分类号：
T [工业技术];
学科分类号：
08 ;
摘要：
We show from many-body quantum mechanical calculations that there occur structurally distinct triplet-pair eigenstates in the intramolecular singlet fission (iSF) compound pentacene-tetracene-pentacene. Triplet excitons occupy neighboring pentacene and tetracene monomers in the higher energy doubly degenerate triplet-triplet multiexcitons, and terminal pentacene chromophores in the lower energy multiexciton. The lowest energy multiexciton is reached by ultrafast triplet migration within the triplet-triplet manifold, a result with profound implication for the design of superior iSF compounds.
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页数：7
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