Fluctuations in Electronic Energy Affecting Singlet Fission Dynamics and Mixing with Charge-Transfer State: Quantum Dynamics Study

Fragment Diabatization Linear Vibronic Coupling Model for Quantum Dynamics of Multichromophoric Systems: Population of the Charge-Transfer State in the Photoexcited Guanine–Cytosine Pair

Journal of Chemical Theory and Computation ◽

10.1021/acs.jctc.1c00416 ◽

2021 ◽

Author(s):

James A. Green ◽

Martha Yaghoubi Jouybari ◽

Haritha Asha ◽

Fabrizio Santoro ◽

Roberto Improta

Keyword(s):

Charge Transfer ◽

Quantum Dynamics ◽

Coupling Model ◽

Vibronic Coupling ◽

Charge Transfer State ◽

Singlet Fission in Self-assembled Amphipathic Tetracene Nanoparticles: Probing the Role of Charge-transfer State

Journal of Photochemistry and Photobiology A Chemistry ◽

10.1016/j.jphotochem.2020.112597 ◽

2020 ◽

Vol 397 ◽

pp. 112597

Author(s):

Xinyu Yan ◽

Heyuan Liu ◽

Xiangyang Wang ◽

Shanshan Liu ◽

Dezhi Zhao ◽

...

Keyword(s):

Charge Transfer ◽

Charge Transfer State ◽

Singlet Fission ◽

Self Assembled ◽

Modeling Singlet Fission in Rylene and Diketopyrrolopyrrole Derivatives: The Role of the Charge Transfer State in Superexchange and Excimer Formation

10.1021/acs.jpcc.7b02697 ◽

2017 ◽

Vol 121 (19) ◽

pp. 10345-10350 ◽

Cited By ~ 50

Author(s):

Claire E. Miller ◽

Michael R. Wasielewski ◽

George C. Schatz

Keyword(s):

Charge Transfer ◽

Charge Transfer State ◽

Singlet Fission ◽

Excimer Formation ◽

Direct Observation of a Charge-Transfer State Preceding High-Yield Singlet Fission in Terrylenediimide Thin Films

Journal of the American Chemical Society ◽

10.1021/jacs.6b07721 ◽

2016 ◽

Vol 139 (2) ◽

pp. 663-671 ◽

Cited By ~ 82

Author(s):

Eric A. Margulies ◽

Jenna L. Logsdon ◽

Claire E. Miller ◽

Lin Ma ◽

Ethan Simonoff ◽

...

Keyword(s):

Thin Films ◽

Charge Transfer ◽

Direct Observation ◽

Charge Transfer State ◽

High Yield ◽

Singlet Fission ◽

A Charge ◽

Effect of Charge-Transfer State Energy on Charge Generation Efficiency via Singlet Fission in Pentacene–Fullerene Solar Cells

10.1021/acs.jpcc.9b00568 ◽

2019 ◽

Vol 123 (16) ◽

pp. 10253-10261 ◽

Cited By ~ 4

Author(s):

Robin E. M. Willems ◽

Stefan C. J. Meskers ◽

Martijn M. Wienk ◽

René A. J. Janssen

Keyword(s):

Solar Cells ◽

Charge Transfer ◽

State Energy ◽

Charge Transfer State ◽

Singlet Fission ◽

Generation Efficiency ◽

Charge Generation ◽

Effects of Charge Transfer State and Exciton Migration on Singlet Fission Dynamics in Organic Aggregates

10.1021/acs.jpcc.6b02943 ◽

2016 ◽

Vol 120 (25) ◽

pp. 13351-13359 ◽

Cited By ~ 22

Author(s):

Hang Zang ◽

Yaling Ke ◽

Yi Zhao ◽

WanZhen Liang

Keyword(s):

Charge Transfer ◽

Charge Transfer State ◽

Singlet Fission ◽

Exciton Migration ◽

Absence of Intramolecular Singlet Fission in Pentacene–Perylenediimide Heterodimers: The Role of Charge Transfer State

The Journal of Physical Chemistry Letters ◽

10.1021/acs.jpclett.7b02597 ◽

2017 ◽

Vol 8 (22) ◽

pp. 5609-5615 ◽

Cited By ~ 3

Author(s):

Long Wang ◽

Yishi Wu ◽

Jianwei Chen ◽

Lanfen Wang ◽

Yanping Liu ◽

...

Keyword(s):

Charge Transfer ◽

Charge Transfer State ◽

Singlet Fission ◽

Bipolar Molecules with Hybridized Local and Charge‐Transfer State for Highly Efficient Deep‐Blue Organic Light‐Emitting Diodes with EQE of 7.4% and CIE y ∼ 0.05

Advanced Optical Materials ◽

10.1002/adom.202100965 ◽

2021 ◽

pp. 2100965

Author(s):

Yu Zheng ◽

Xiangyu Zhu ◽

Zhigang Ni ◽

Xianhui Wang ◽

Ziting Zhong ◽

...

Keyword(s):

Charge Transfer ◽

Light Emitting Diodes ◽

Organic Light Emitting Diodes ◽

Charge Transfer State ◽

Light Emitting ◽

Highly Efficient ◽

Deep Blue ◽

Organic Light ◽

Pyranone–Arylbenzene Molecules Controlled by the Competition of Local Excited State and Twisted Intramolecular Charge-Transfer State: Dual-State Emission, Polymorphism, and Mechanofluorochromism

10.1021/acs.jpcc.1c04340 ◽

2021 ◽

Author(s):

Fuming Xiao ◽

Xiaoqing Liu ◽

Kangkang Lin ◽

Yunbing Zhou ◽

Wenxia Gao ◽

...

Keyword(s):

Excited State ◽

Charge Transfer ◽

Intramolecular Charge Transfer ◽

Charge Transfer State ◽

Twisted Intramolecular Charge Transfer ◽

The Jahn–Teller effect in the lowest charge transfer state of UF6

The Journal of Chemical Physics ◽

10.1063/1.436318 ◽

1978 ◽

Vol 68 (9) ◽

pp. 4066-4072 ◽

Cited By ~ 12

Author(s):

E. R. Bernstein ◽

G. R. Meredith ◽

J. D. Webb

Keyword(s):

Charge Transfer ◽

Teller Effect ◽

Charge Transfer State ◽

Jahn Teller ◽

Jahn Teller Effect ◽