Computational aspects to design iridium complexes as emitters for OLEDs

MS Lakshmi, S Mahalakshmi - Molecular Systems Design & …, 2022 - pubs.rsc.org
Organic light-emitting diode (OLED) devices fabricated using iridium complexes have
attracted great attention from researchers for decades due to their high efficiency and opto …

DFT/TD-DFT study of electronic and phosphorescent properties in cycloplatinated complexes: implications for OLEDs

B Moradpour, R Omidyan - RSC advances, 2022 - pubs.rsc.org
High level density functional and time-dependent density functional (DFT, TD-DFT)
theoretical methods have been employed to investigate the photophysical properties of 5 …

DFT/TDDFT studies of the ancillary ligand effects on structures and photophysical properties of rhenium (I) tricarbonyl complexes with the imidazo [4, 5‐f]‐1, 10 …

XZ Yang, TT Zhang, J Wei, JF Jia… - International Journal of …, 2015 - Wiley Online Library
The seven rhenium (I) tricarbonyl complexes having a general formula fac‐[ReBr (CO) 3
(R1, R2, R3‐N^ N)](N^ N= imidazo [4, 5‐f]‐1, 10‐phenanthroline; R1= tBu, R2= R3= H, 1; …

Push-pull effect on the geometrical, optical and charge transfer properties of disubstituted derivatives of mer-tris(4-hydroxy-1,5-naphthyridinato) aluminum (mer …

JL Rao, K Bhanuprakash - Open Chemistry, 2016 - degruyter.com
To design innovative and novel optical materials with high mobility, two kinds of
disubstituted derivatives for mer-tris (4-hydroxy-1, 5-naphthyridinato) aluminum (mer-AlND3) …

The effect of group-substitution on structures and photophysical properties of rhenium (I) tricarbonyl complexes with pyridyltetrazole ligand: A DFT/TDDFT study

XZ Yang, YL Wang, JY Guo, TT Zhang, JF Jia… - Materials Chemistry and …, 2016 - Elsevier
A series of rhenium (I) tricarbonyl complexes having a general formula fac-[Re (CO) 3
(L)(RN ˆ N)](L= Br; N∧ N= tert-butylated pyridyltetrazole; R= single bondH, 1; single …

Introductory Chapter: Iridium Complexes as Organic Light Emitting Diodes (OLEDs): A Theoretical Analysis

R Srivastava - Recent Development in Optoelectronic Devices, 2018 - books.google.com
A specific discipline of electronics, which focus on light-emitting or light-detecting devices,
the term “Optoelectronics” is used in the broader perspective. Such devices include those …