Results 51 to 60 of about 14,125 (198)
Nature 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
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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
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, 2020 In organoboron OLED emitter DABNA, vibronic resonance strongly enhances reverse intersystem crossing rate even with a sizable T1-S1 energy gap. The resonance is peculiar in that the vibrational frequency has to match both (1) the T1-S1 energy gap and (2)
Dae Sin, Kim +8 more
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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
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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
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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
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Absence of intersystem crossing in 1,4-didehydrobenzene
, 1994 The rate of singlet-to-triplet intersystem crossing in 1,4-didehydrobenzene (the biradical produced as a reactive intermediate in the thermal cycloaromatization of enediynes), cannot be increased by the application of an external magnetic field. The rate
Grissom, Charles B. +2 more
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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
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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
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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
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