Results 51 to 60 of about 299,211 (194)
Results 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
Advanced Science, 2022 Upconverted reactive oxygen species (ROS) photosensitization with one‐photon excitation mode is a promising tactic to elongate the excitation wavelengths of photosensitive dyes to near‐infrared (NIR) light region without the requirement of coherent high ...
Xueze Zhao +8 more
doaj +1 more source
Internal Conversion and Intersystem Crossing with the Exact Factorization [PDF]
Journal 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
Aggregate, 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
Deciphering the unusual fluorescence in weakly coupled bis-nitro-pyrrolo[3,2-b]pyrroles
Communications 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
Chemical 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]
19th 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
Applied 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
Experimental and Computational Analysis of Para-Hydroxy Methylcinnamate following Photoexcitation
Molecules, 2021 Para-hydroxy methylcinnamate is part of the cinnamate family of molecules. Experimental and computational studies have suggested conflicting non-radiative decay routes after photoexcitation to its S1(ππ*) state.
Jack Dalton +5 more
doaj +1 more source
A Review of Benzophenone-Based Derivatives for Organic Light-Emitting Diodes
NanomaterialsOrganic 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