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Charge migration and charge transfer in molecular systems [PDF]

open access: yesStructural Dynamics, 2017
The transfer of charge at the molecular level plays a fundamental role in many areas of chemistry, physics, biology and materials science. Today, more than 60 years after the seminal work of R. A.
Hans Jakob Wörner   +19 more
doaj   +8 more sources

Charge transfer of carbon nanomaterials for efficient metal‐free electrocatalysis

open access: yesInterdisciplinary Materials, 2022
Recently, carbon‐based metal‐free electrocatalysts (C‐MFECs) have drawn considerable research attention because of their attractive physicochemical characteristics, cost‐effectiveness, and ability to convert and store energy efficiently.
Rajib Paul   +3 more
doaj   +2 more sources

Vibronically assisted sub-cycle charge transfer at a non-fullerene acceptor heterojunction [PDF]

open access: yesNature Communications
Excited-state charge transfer underpins organic photovoltaics, photocatalysis and photodetection, but is traditionally thought to require large energy offsets and strong donor–acceptor coupling that can limit device performance.
Pratyush Ghosh   +10 more
doaj   +2 more sources

Linear and Nonlinear Photon-Induced Cross Bridge/Space Charge Transfer in STC Molecular Crystals

open access: yesNanomaterials, 2022
In this work, we theoretically studied the optical absorption properties of a layer-stacked cocrystal heterogeneous material Spe-TCNB cocrystal (STC) which is produced by supramolecular self-assembly of organic conjugated monomers SPE and TCNB.
Chen Lu   +5 more
doaj   +1 more source

Charge-Transfer Versus Charge-Transfer-Like Excitations Revisited [PDF]

open access: yesJournal of Chemical Theory and Computation, 2015
Criteria to assess charge-transfer (CT) and CT-like character of electronic excitations are examined. Time-dependent density functional theory (TDDFT) calculations with non-hybrid, hybrid, and tuned long-range corrected (LC) functionals are compared with coupled-cluster (CC) benchmarks.
Barry, Moore   +4 more
openaire   +2 more sources

Interfacial Charge-Transfer Transitions for Direct Charge-Separation Photovoltaics

open access: yesEnergies, 2020
Photoinduced charge separation (PCS) plays an essential role in various solar energy conversions such as photovoltaic conversion in solar cells. Usually, PCS in solar cells occurs stepwise via solar energy absorption by light absorbers (dyes, inorganic ...
Jun-ichi Fujisawa
doaj   +1 more source

Field‐assisted thermionic emission toward quantitative modeling of charge‐transfer mechanisms in contact electrification

open access: yesSmartMat, 2022
Charge transfer mechanisms of contact electrification (CE) are essential for widening applications of the triboelectric nanogenerator, and thus are widely studied by scientists around the world.
Xin Xia, Haoyu Wang, Yunlong Zi
doaj   +1 more source

Biomedical Implants with Charge‐Transfer Monitoring and Regulating Abilities

open access: yesAdvanced Science, 2021
Transmembrane charge (ion/electron) transfer is essential for maintaining cellular homeostasis and is involved in many biological processes, from protein synthesis to embryonic development in organisms.
Donghui Wang   +4 more
doaj   +1 more source

A Theoretical Investigation of Charge Transfer Dynamics from Sensitized Molecule D35CPDT Dye to SnO_2 and TiO_2 Semiconductor

open access: yesIbn Al-Haitham Journal for Pure and Applied Sciences, 2022
In this research, the dynamics process of charge transfer from the sensitized  D35CPDT dye to tin(iv) oxide( ) or titanium dioxide (  ) semiconductors are carried out by using a quantum model for charge transfer.
Estabraq Hasan, Hadi J. M. Alagealy
doaj   +1 more source

Ultrafast phonon‐driven charge transfer in van der Waals heterostructures

open access: yesNatural Sciences, 2022
Van der Waals heterostructures built by vertically stacked transition metal dichalcogenides (TMDs) exhibit a rich energy landscape, including interlayer and intervalley excitons.
Giuseppe Meneghini   +2 more
doaj   +1 more source

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