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Non-adiabatic excited-state molecular dynamics: Theory and applications for modeling photophysics in extended molecular materials
Optically active molecular materials, such as organic conjugated polymers and biological
systems, are characterized by strong coupling between electronic and vibrational degrees of …
systems, are characterized by strong coupling between electronic and vibrational degrees of …
Pentacene dimers as a critical tool for the investigation of intramolecular singlet fission
C Hetzer, DM Guldi… - Chemistry–A European …, 2018 - Wiley Online Library
Singlet fission (SF) involves the spontaneous splitting of a photoexcited singlet state into a
pair of triplets, and it holds great promise toward the realization of more efficient solar cells …
pair of triplets, and it holds great promise toward the realization of more efficient solar cells …
Linker-dependent singlet fission in tetracene dimers
Separation of triplet excitons produced by singlet fission is crucial for efficient application of
singlet fission materials. While earlier works explored the first step of singlet fission, the …
singlet fission materials. While earlier works explored the first step of singlet fission, the …
Lessons from intramolecular singlet fission with covalently bound chromophores
Molecular dimers, oligomers, and polymers are versatile components in photophysical and
optoelectronic architectures that could impact a variety of applications. We present a …
optoelectronic architectures that could impact a variety of applications. We present a …
Conformational Planarization versus Singlet Fission: Distinct Excited‐State Dynamics of Cyclooctatetraene‐Fused Acene Dimers
T Yamakado, S Takahashi, K Watanabe… - Angewandte Chemie …, 2018 - Wiley Online Library
A set of flap** acene dimers fused with an 8π cyclooctatetraene (COT) ring showed
distinct excited‐state dynamics in solution. While the anthracene dimer showed a fast V …
distinct excited‐state dynamics in solution. While the anthracene dimer showed a fast V …
Striking the right balance of intermolecular coupling for high-efficiency singlet fission
Singlet fission is a process that splits collective excitations, or excitons, into two with unity
efficiency. This exciton splitting process, unique to molecular photophysics, has the potential …
efficiency. This exciton splitting process, unique to molecular photophysics, has the potential …
Inverse design of tetracene polymorphs with enhanced singlet fission performance by property-based genetic algorithm optimization
The efficiency of solar cells may be improved by using singlet fission (SF), in which one
singlet exciton splits into two triplet excitons. SF occurs in molecular crystals. A molecule …
singlet exciton splits into two triplet excitons. SF occurs in molecular crystals. A molecule …
Multiexciton quintet state populations in a rigid pyrene-bridged parallel tetracene dimer
The multiexciton quintet state, 5TT, generated as a singlet fission intermediate in pairs of
molecular chromophores, is a promising candidate as a qubit or qudit in future quantum …
molecular chromophores, is a promising candidate as a qubit or qudit in future quantum …
Using structurally well-defined norbornyl-bridged acene dimers to map a mechanistic landscape for correlated triplet formation in singlet fission
AT Gilligan, EG Miller, T Sammakia… - Journal of the …, 2019 - ACS Publications
Structurally well-defined TIPS-acetylene substituted tetracene (TIPS-BT1′) and pentacene
(TIPS-BP1′) dimers utilizing a [2.2. 1] bicyclic norbornyl bridge have been studied …
(TIPS-BP1′) dimers utilizing a [2.2. 1] bicyclic norbornyl bridge have been studied …
Direct observation of correlated triplet pair dynamics during singlet fission using ultrafast mid-IR spectroscopy
Singlet fission is an exciton multiplication mechanism in organic materials whereby high
energy singlet excitons can be converted into two triplet excitons with near unity quantum …
energy singlet excitons can be converted into two triplet excitons with near unity quantum …