Articles with "single electron" as a keyword



Photoinduced Single Electron Reduction of the 4‐O‐5 Linkage in Lignin Models for C‐P Coupling Catalyzed by Bifunctional N‐Heterocyclic Carbenes

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Published in 2024 at "Advanced Science"

DOI: 10.1002/advs.202406095

Abstract: Catalytic activation of Caryl‐O bonds is considered as a powerful strategy for the production of aromatics from lignin. However, due to the high reduction potentials of diaryl ether 4‐O‐5 linkage models, their single electron reduction… read more here.

Keywords: bifunctional heterocyclic; photoinduced single; single electron; reduction ... See more keywords

Mechanochemical Dehalogenative Deuteration of Alkyl Halides Through Piezoelectric Catalysis Initiated by a Single‐Electron Oxidation Strategy

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Published in 2025 at "Advanced Science"

DOI: 10.1002/advs.202515449

Abstract: Deuterium labeling is extensively utilized across various scientific disciplines. The dehalogenative deuteration of organic halides offers a promising approach for achieving deuterium labeling. However, existing methods for dehalogenative deuteration primarily focus on sp2‐hybridized aryl halides,… read more here.

Keywords: deuteration; dehalogenative deuteration; alkyl halides; single electron ... See more keywords
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High‐order harmonic generation by static coherent states method in single‐electron atomic and molecular systems

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Published in 2021 at "Journal of Computational Chemistry"

DOI: 10.1002/jcc.26549

Abstract: We solve the time‐dependent Schrodinger equation using the coherent states as basis sets for computing high harmonic generation (HHG) in a full‐dimensional single‐electron “realistic” system. We apply the static coherent states (SCS) method to investigate… read more here.

Keywords: static coherent; single electron; harmonic generation; generation ... See more keywords

d-Orbital Single Electron Filling O─O π* Bonds on WO3S1 Sites for Highly Selective Generation of Hydroxyl Radicals.

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Published in 2025 at "Small"

DOI: 10.1002/smll.202412234

Abstract: Hydroxyl radical (•OH) stemming from dissolved oxygen (O2) via photocatalysis is very attractive, but its poor selectivity and generation efficiency greatly limit its application. Herein, a kind of tungsten single site co-coordinated with O and… read more here.

Keywords: generation; electron filling; wo3s1 sites; single electron ... See more keywords
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DFT Analysis of Vanadium Tris(Dithiolene)-Based Double-Gated Single-Electron Transistor

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Published in 2020 at "Journal of Electronic Materials"

DOI: 10.1007/s11664-020-08132-8

Abstract: A double-gated single-electron transistor (SET) based on metal–organic complex vanadium tris(dithiolene) has been modelled and investigated for the operation and electrostatics analysis. Density functional theory and non-equilibrium Green’s function method have been opted for first-principle… read more here.

Keywords: double gated; single electron; gated single; vanadium tris ... See more keywords
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Visualizing nonlinear resonance in nanomechanical systems via single-electron tunneling

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Published in 2020 at "Nano Research"

DOI: 10.1007/s12274-020-3165-2

Abstract: Numerous reports have elucidated the importance of mechanical resonators comprising quantum-dot-embedded carbon nanotubes (CNTs) for studying the effects of single-electron transport. However, there is a need to investigate the single-electron transport that drives a large… read more here.

Keywords: single electron; resonance; electron transport; visualizing nonlinear ... See more keywords

A scintillator detector for beam tuning of low-energy single electron accelerator

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Published in 2017 at "Radiation Detection Technology and Methods"

DOI: 10.1007/s41605-017-0007-1

Abstract: PurposeNine scintillator detectors were developed for beam tuning of low-energy single electron accelerator instead of the picoammeter and Faraday cup, both of which will be insensitive to the weak-current beam lower than picoampere.MethodsThe detectors are… read more here.

Keywords: single electron; energy; scintillator; detector ... See more keywords

Quantitative structure-activity relationships for reactivities of sulfate and hydroxyl radicals with aromatic contaminants through single-electron transfer pathway.

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Published in 2018 at "Journal of hazardous materials"

DOI: 10.1016/j.jhazmat.2017.09.024

Abstract: Sulfate radical anion (SO4•-) and hydroxyl radical (OH) based advanced oxidation technologies has been extensively used for removal of aromatic contaminants (ACs) in waters. In this study, we investigated the Gibbs free energy (ΔGSET∘) of… read more here.

Keywords: single electron; quantitative structure; electron transfer; structure activity ... See more keywords

Single-Electron-Transfer-Mediated Carbonylation Reactions

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Published in 2025 at "Accounts of Chemical Research"

DOI: 10.1021/acs.accounts.5c00039

Abstract: Conspectus Transition-metal-catalyzed carbonylation coupling methods have been accepted as an essential tool for producing carbonylated products over the past few decades. Despite its long-standing history and widespread industrial applications, several challenges remain in carbonylation chemistry.… read more here.

Keywords: chemistry; electron transfer; single electron; carbonylation ... See more keywords

Single-Electron Transfer Living Radical Polymerization Platform to Practice, Develop, and Invent.

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Published in 2017 at "Biomacromolecules"

DOI: 10.1021/acs.biomac.7b01131

Abstract: The most fundamental aspects of single-electron transfer (SET) principles are presented. They are discussed according to different definitions used by expert practitioners and are applied to SET living radical polymerization (SET-LRP) according to the definition… read more here.

Keywords: polymerization; single electron; radical polymerization; living radical ... See more keywords

Reductive Outer-Sphere Single Electron Transfer Is an Exception Rather than the Rule in Natural and Engineered Chlorinated Ethene Dehalogenation.

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Published in 2017 at "Environmental science & technology"

DOI: 10.1021/acs.est.7b01447

Abstract: Chlorinated ethenes (CEs) such as perchloroethylene, trichloroethylene and dichloroethylene are notorious groundwater contaminants. Although reductive dehalogenation is key to their environmental and engineered degradation, underlying reaction mechanisms remain elusive. Outer-sphere reductive single electron transfer (OS-SET)… read more here.

Keywords: dehalogenation; single electron; isotope; outer sphere ... See more keywords