Correction to “Design Principles of Electronic Couplings for Intramolecular Singlet Fission in Covalently-Linked Systems”

2017 ◽  
Vol 121 (38) ◽  
pp. 7307-7307
Author(s):  
Soichi Ito ◽  
Takanori Nagami ◽  
Masayoshi Nakano
Keyword(s):  
Design Principles ◽  
Singlet Fission ◽  
Covalently Linked

scholarly journals Emerging Design Principles for Enhanced Solar Energy Utilization with Singlet Fission

2019 ◽  
Vol 123 (7) ◽  
pp. 3923-3934 ◽  
Author(s):  
Melissa K. Gish ◽  
Natalie A. Pace ◽  
Garry Rumbles ◽  
Justin C. Johnson
Keyword(s):  
Solar Energy ◽  
Design Principles ◽  
Energy Utilization ◽  
Singlet Fission ◽  
Solar Energy Utilization

On couplings and excimers: lessons from studies of singlet fission in covalently linked tetracene dimers

2016 ◽  
Vol 18 (11) ◽  
pp. 7751-7761 ◽  
Author(s):  
Xintian Feng ◽  
Anna I. Krylov
Keyword(s):  
Singlet Fission ◽  
Covalently Linked

Electronic factors controlling singlet fission (SF) rates are investigated in covalently linked dimers of tetracene.

scholarly journals Quantum dynamics simulation of intramolecular singlet fission in covalently linked tetracene dimer

2021 ◽  
Vol 155 (19) ◽  
pp. 194101
Author(s):  
Sam Mardazad ◽  
Yihe Xu ◽  
Xuexiao Yang ◽  
Martin Grundner ◽  
Ulrich Schollwöck ◽  
...  
Keyword(s):  
Quantum Dynamics ◽  
Dynamics Simulation ◽  
Singlet Fission ◽  
Covalently Linked

Singlet fission in covalent dimers of methylene-locked 1,3-diphenyl-isobenzofuran: semiclassical simulations of nonadiabatic dynamics

2021 ◽  
Vol 9 (38) ◽  
pp. 21897-21909
Author(s):  
Davide Accomasso ◽  
Giovanni Granucci ◽  
Maurizio Persico
Keyword(s):  
Mutual Arrangement ◽  
Nonadiabatic Dynamics ◽  
Singlet Fission ◽  
Surface Hopping ◽  
Covalently Linked

Surface hopping investigation of singlet fission in covalently linked dimers: impact of the mutual arrangement.

Intra- and Intermolecular Singlet Fission in Covalently Linked Dimers

2016 ◽  
Vol 120 (34) ◽  
pp. 19070-19077 ◽  
Author(s):  
Xintian Feng ◽  
David Casanova ◽  
Anna I. Krylov
Keyword(s):  
Singlet Fission ◽  
Covalently Linked

scholarly journals Controlling Singlet Fission with Coordination Chemistry-Induced Assembly of Dipyridyl Pyrrole Bipentacenes

2020 ◽  
Author(s):  
Ryan Ribson ◽  
Gyeongshin Choi ◽  
Ryan Hadt ◽  
Theodor Agapie
Keyword(s):  
Coordination Chemistry ◽  
Structural Changes ◽  
Information Science ◽  
Rate Increase ◽  
Design Principles ◽  
Singlet Fission ◽  
Photophysical Parameters ◽  
Novel Design ◽  
Triplet Lifetime

Singlet fission has the potential to surpass current efficiency limits in next-generation photovoltaics and to find use in quantum information science. Despite the demonstration of singlet fission in various materials, there is still a great need for fundamental design principles that allow for tuning of photophysical parameters, including the rate of fission and triplet lifetimes. Here we describe the synthesis and photophysical characterization of a novel bipentacene dipyridyl pyrrole (HDPP-Pent) and its Li- and K-coordinated derivatives. HDPP-Pent undergoes singlet fission at roughly 50% efficiency (τ<sub>SF</sub> = 730 ps), whereas coordination in the Li complex induces significant structural changes to generate a dimer, resulting in a 5-fold rate increase (τ<sub>SF</sub> = 140 ps) and near fully efficient singlet fission with virtually no sacrifice in triplet lifetime. We thus illustrate novel design principles to produce favorable singlet fission properties, wherein through-space control can be achieved via coordination chemistry-induced multi-pentacene assembly.

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