scholarly journals Game of Frontier Orbitals: A View on the Rational Design of Novel Charge-Transfer Materials

2018 ◽  
Vol 9 (14) ◽  
pp. 3978-3986 ◽  
Author(s):  
Maxim V. Ivanov ◽  
Scott A. Reid ◽  
Rajendra Rathore
Keyword(s):  
Charge Transfer ◽  
Rational Design ◽  
Frontier Orbitals ◽  
Charge Transfer Materials

Towards the rational design of novel charge-transfer materials: biaryls with a dihedral angle-independent hole delocalization mechanism

2018 ◽  
Vol 54 (46) ◽  
pp. 5851-5854 ◽  
Author(s):  
Lena V. Ivanova ◽  
Tushar S. Navale ◽  
Denan Wang ◽  
Sergey Lindeman ◽  
Maxim V. Ivanov ◽  
...  
Keyword(s):  
Charge Transfer ◽  
Dihedral Angle ◽  
Rational Design ◽  
Novel Materials ◽  
Independent Mechanism ◽  
Charge Transfer Materials

Herein, we demonstrate a rational design of novel materials using FMO analysis on the example of biaryls with dihedral angle independent mechanism of hole delocalization.

scholarly journals Rational Design of TADF Polymers Using a Donor-Acceptor Monomer with Enhanced TADF Efficiency Induced by the Energy Alignment of Charge Transfer and Local Triplet Excited States

2016 ◽  
Vol 4 (4) ◽  
pp. 597-607 ◽  
Author(s):  
Roberto S. Nobuyasu ◽  
Zhongjie Ren ◽  
Gareth C. Griffiths ◽  
Andrei S. Batsanov ◽  
Przemyslaw Data ◽  
...  
Keyword(s):  
Charge Transfer ◽  
Excited States ◽  
Rational Design ◽  
Donor Acceptor ◽  
Triplet Excited States

Charge-transfer materials for electrochemical water desalination, ion separation and the recovery of elements

2020 ◽  
Vol 5 (7) ◽  
pp. 517-538 ◽  
Author(s):  
Pattarachai Srimuk ◽  
Xiao Su ◽  
Jeyong Yoon ◽  
Doron Aurbach ◽  
Volker Presser
Keyword(s):  
Charge Transfer ◽  
Water Desalination ◽  
Ion Separation ◽  
Charge Transfer Materials

Rational design of thermally activated delayed fluorescence emitters with aggregation-induced emission employing combined charge transfer pathways for fabricating efficient non-doped OLEDs

2019 ◽  
Vol 7 (30) ◽  
pp. 9413-9422 ◽  
Author(s):  
Fulong Ma ◽  
Yu Cheng ◽  
Yu Zheng ◽  
Hefang Ji ◽  
Kamran Hasrat ◽  
...  
Keyword(s):  
Charge Transfer ◽  
Rational Design ◽  
Delayed Fluorescence ◽  
Thermally Activated Delayed Fluorescence ◽  
Aggregation Induced Emission ◽  
Thermally Activated

Achieving combined charge transfer pathways in novel thermally activated delayed fluorescence emitters with aggregation-induced emission features.

scholarly journals Design principles for the energy level tuning in donor/acceptor conjugated polymers

2019 ◽  
Vol 21 (2) ◽  
pp. 789-799 ◽  
Author(s):  
Daniel Hashemi ◽  
Xiao Ma ◽  
Ramin Ansari ◽  
Jinsang Kim ◽  
John Kieffer
Keyword(s):  
Charge Transfer ◽  
Energy Level ◽  
Conjugated Polymers ◽  
Transfer Process ◽  
Design Principles ◽  
Charge Transfer Process ◽  
Frontier Orbitals ◽  
Donor Acceptor ◽  
Homo And Lumo

Illustration of the charge transfer associated with the development of HOMO and LUMO levels in conjugated polymers and that the electron donating and withdrawing powers depend on the collective of atoms that carry the frontier orbitals involved in the charge transfer process.

Sign in / Sign up

Export Citation Format

Share Document