Results 31 to 40 of about 9,652 (250)

Unraveling the delayed fluorescence mechanism of copper(I) halide-phosphine emitters from DFT calculations

open access: yesResults in Chemistry, 2023
Several copper complexes exhibiting luminescent properties have been studied. In this context, the possibility of incorporating them into the architecture of organic light-emitting diode (OLED) devices has been investigated to improve their efficiency ...
Francisca Clavería-Cádiz   +3 more
doaj   +1 more source

Aggregation‐enhanced direct S0–Tn transitions and room‐temperature phosphorescence in gold(I)‐complex single crystals

open access: yesAggregate, 2022
The design of efficient aggregation‐induced emission materials requires an improved understanding of photophysical processes in aggregated materials.
Akihiro Ando   +6 more
doaj   +1 more source

Internal Conversion and Intersystem Crossing with the Exact Factorization [PDF]

open access: yesJournal of Chemical Theory and Computation, 2020
We present a detailed derivation of the generalized coupled-trajectory mixed quantum-classical (G-CT-MQC) algorithm based on the exact-factorization equations. The ultimate goal is to propose an algorithm that can be employed for molecular dynamics simulations of nonradiative phenomena, as the spin-allowed internal conversions and the spin-forbidden ...
Francesco Talotta   +4 more
openaire   +2 more sources

Confining donor conformation distributions for efficient thermally activated delayed fluorescence with fast spin-flipping

open access: yesNature Communications, 2023
Fast spin-flipping is the key to exploit the triplet excitons in thermally activated delayed fluorescence based organic light-emitting diodes toward high efficiency, low efficiency roll-off and long operating lifetime.
Weidong Qiu   +18 more
doaj   +1 more source

Deciphering the unusual fluorescence in weakly coupled bis-nitro-pyrrolo[3,2-b]pyrroles

open access: yesCommunications Chemistry, 2020
Owing to their electron-withdrawing nature, nitro-groups are desirable in the design of electron-deficient light-sensitizing aromatic π-conjugated molecules, but most nitro-aromatics are not fluorescent. Here, the authors show how balanced donor-acceptor
Yevgen M. Poronik   +7 more
doaj   +1 more source

Spin-Vibronic Mechanism for Intersystem Crossing

open access: yesChemical Reviews, 2018
Intersystem crossing (ISC), formally forbidden within nonrelativistic quantum theory, is the mechanism by which a molecule changes its spin state. It plays an important role in the excited state decay dynamics of many molecular systems and not just those containing heavy elements.
Thomas J. Penfold   +3 more
openaire   +4 more sources

Ultrafast Intersystem Crossing in SO2 and Nucleobases [PDF]

open access: yes19th International Conference on Ultrafast Phenomena, 2014
Mixed quantum-classical dynamics simulations show that intersystem crossing between singlet and triplet states in SO$_2$ and in nucleobases takes place on an ultrafast timescale (few 100~fs), directly competing with internal conversion.
Mai, Sebastian   +3 more
openaire   +2 more sources

Theoretical Investigation of All Optical Switching by Intersystem Crossing

open access: yesApplied Sciences, 2019
The dynamics of spin flips induced by the femtosecond laser are theoretically investigated in this article. The spin flips in this scenario are attributed to the intersystem crossing (ISC) described within the frame of the Rabi model.
Yuhao Zou   +7 more
doaj   +1 more source

Managing Charge Transport and Exciton Generation for Highly Efficient, Bright, and Stable Near‐Infrared Organic Radical Light‐Emitting Diodes

open access: yesAdvanced Functional Materials, EarlyView.
High‐performing near‐infrared (NIR) organic light‐emitting diodes are demonstrated using an efficient and stable 800 nm‐emissive organic radical and a thermally activated delayed fluorescence (TADF) host. TADF‐assisted exciton generation combined with improved charge transport enables high external quantum efficiency (>8%), high radiance (>70,000 mW sr−
Hwan‐Hee Cho   +6 more
wiley   +1 more source

A Review of Benzophenone-Based Derivatives for Organic Light-Emitting Diodes

open access: yesNanomaterials
Organic light-emitting diodes (OLEDs) have garnered considerable attention in academic and industrial circles due to their potential applications in flat-panel displays and solid-state lighting technologies, leveraging the advantages offered by organic ...
Dovydas Blazevicius   +1 more
doaj   +1 more source

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