Computational approaches for organic semiconductors: from chemical and physical understanding to predicting new materials

V Bhat, CP Callaway, C Risko - Chemical Reviews, 2023 - ACS Publications
While a complete understanding of organic semiconductor (OSC) design principles remains
elusive, computational methods─ ranging from techniques based in classical and quantum …

Exciplex-Forming Systems of Physically Mixed and Covalently Bonded Benzoyl-1H-1,2,3-Triazole and Carbazole Moieties for Solution-Processed White OLEDs

M Stanitska, M Mahmoudi, N Pokhodylo… - The Journal of …, 2022 - ACS Publications
Using the newly designed exciplex-forming 1, 2, 3-triazole-based acceptors with fast and
efficient singlet→ triplet intersystem crossing (ISC) processes, carbazole and benzoyl-1 H-1 …

Design and performance of sulfur and selenium-substituted triarylboron D3-A TADF emitters for OLED applications

O Karakurt, EF Demirgezer, M Dastemir… - Organic …, 2024 - Elsevier
This study presents the design, synthesis, and comprehensive theoretical and photophysical
analysis of two new D 3-A type thermally activated delayed fluorescence (TADF) emitters for …

Tuning of spin-flip efficiency of blue emitting multicarbazolyl-substituted benzonitriles by exploitation of the different additional electron accepting moieties

M Mahmoudi, D Gudeika, D Volyniuk, K Leitonas… - Chemical Engineering …, 2021 - Elsevier
Aiming to improve spin-flip efficiency of emitters exhibiting thermally activated delayed
fluorescence (TADF), to five derivatives of tetra-tert-butyl-carbazolyl-substituted …

New m-MTDATA skeleton-based hole transporting materials for multi-resonant TADF OLEDs

A Bucinskas, O Bezvikonnyi, R Durgaryan… - Physical Chemistry …, 2022 - pubs.rsc.org
Six new hole transporting materials based on the commercially available m-MTDATA core
were synthesized by introducing different electron donating groups, such as methoxy, ethoxy …

Cooperative Passivation Exciton Quenching Triggers Surpassing 30% External Quantum Efficiency for a Deep‐Blue Organic Light‐Emitting Diode

J Zhang, D Li, W Li, Y Meng, Z Ge - Laser & Photonics Reviews, 2024 - Wiley Online Library
Overcoming exciton quenching and improving electroluminescence (EL) performances
continue to pose persistent challenges in the development of efficient deep blue thermally …

AIE active blue light emitting pyridine functionalized quinoxaline and pyridopyrazine derivatives exhibiting reversible acidofluorochromism and thermal sensitivity

M Lamoria, D Manna, MD Milton - Journal of Molecular Structure, 2025 - Elsevier
This work presents a systematic study of five novel closely related pyridine-substituted
quinoxaline and pyridopyrazine derivatives 3a-e. Modifying the quinoxaline framework by …

The novel thermally activated delayed fluorescence compounds based on trifluoromethylpyridine were synthesized for blue OLEDs

S Zhang, J Pan, Z Zhou, S Jin, Y Zhao, J Zhou, W Zhu… - Tetrahedron, 2024 - Elsevier
Seeking efficient blue thermally activated delayed fluorescence (TADF) luminous materials
with a simple structure and applying them to organic light-emitting diodes (OLEDs) is still an …

Experimental and theoretical study of the photochemical properties and acidochromism of nonconventional 2, 4, 6-triarylpyridine-based materials

JVS Medeiros, APT Padilha, KA da Silva… - Dyes and …, 2024 - Elsevier
Abstract 2, 4, 6-Triarylpyridines (TAPs) represent a versatile class of N-heterocycles with
broad applications in many fields. This study presents an investigation on photochemical …

Cyano Decoration of π‐Bridge to Boost Photoluminescence and Electroluminescence Quantum Yields of Triazine/Carbazole Based Blue TADF Emitter

H Li, H Ren, J Wang, D Liu, J Li - Chemistry–A European …, 2024 - Wiley Online Library
In general, a large donor‐acceptor dihedral angle is required to guarantee sufficient frontier
molecular orbitals separation for thermally activated delayed fluorescence (TADF) emitters …