Articles with "two electron" as a keyword



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Electrochemical Oxygen Reduction to Hydrogen Peroxide via a Two‐Electron Transfer Pathway on Carbon‐Based Single‐Atom Catalysts

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Published in 2020 at "Advanced Materials Interfaces"

DOI: 10.1002/admi.202001360

Abstract: Electrochemical reduction of oxygen is considered as a new strategy to achieve decentralized preparation of hydrogen peroxide (H2O2) in a green manner. As a promising new type of catalytic material, carbon‐based single‐atom catalysts can achieve… read more here.

Keywords: two electron; carbon based; based single; atom catalysts ... See more keywords
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Coordination of 3‐Methylindole‐Based Tripodal Tetraphosphine Ligands to Iron(+II), Cobalt(+II), and Nickel(+II) and Investigations of their Subsequent Two‐Electron Reduction

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Published in 2018 at "European Journal of Inorganic Chemistry"

DOI: 10.1002/ejic.201701209

Abstract: We report the coordination chemistry of indole based tripodal tetraphosphine ligands to iron(II), cobalt(II) and nickel(II). These complexes are formed by simple synthetic protocols and were characterized by a combination of spectroscopic techniques and single‐crystal… read more here.

Keywords: coordination; two electron; chemistry; geometry ... See more keywords
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A full‐pivoting algorithm for the Cholesky decomposition of two‐electron repulsion and spin‐orbit coupling integrals

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Published in 2017 at "Journal of Computational Chemistry"

DOI: 10.1002/jcc.25062

Abstract: A significant reduction in the computational effort for the evaluation of the electronic repulsion integrals (ERI) in ab initio quantum chemistry calculations is obtained by using Cholesky decomposition (CD), a numerical procedure that can remove… read more here.

Keywords: chemistry; two electron; orbit coupling; cholesky decomposition ... See more keywords
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Synergetic Dual-Ion Centers Boosting Metal Organic Framework Alloy Catalysts toward Efficient Two Electron Oxygen Reduction.

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Published in 2022 at "Small"

DOI: 10.1002/smll.202202248

Abstract: Herein, a strategy of synergetic dual-metal-ion centers to boost transition-metal-based metal organic framework (MOF) alloy nanomaterials as active oxygen reduction reaction (ORR) electrocatalysts for efficient hydrogen peroxide (H2 O2 ) generation is proposed. Through a… read more here.

Keywords: ion centers; synergetic dual; metal organic; two electron ... See more keywords
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Natural orbitals of the ground state of the two-electron harmonium atom

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Published in 2018 at "Theoretical Chemistry Accounts"

DOI: 10.1007/s00214-018-2362-5

Abstract: AbstractThe radial components of the natural orbitals (NOs) pertaining to the $$^1S_+$$1S+ ground state of the two-electron harmonium atom are found to satisfy homogeneous differential equations at the values of the confinement strength $$\omega $$ω… read more here.

Keywords: natural orbitals; ground state; electron harmonium; two electron ... See more keywords
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Collinear configuration of the helium atom and two-electron ions

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Published in 2020 at "Annals of Physics"

DOI: 10.1016/j.aop.2020.168306

Abstract: Abstract Collinear configurations of the helium-like atomic systems, relevant, e.g., for the quasifree mechanism of the double photoionization of helium, are studied, parameterized by the single scalar parameter − 1 ≤ λ ≤ 1 (“collinear… read more here.

Keywords: helium; collinear configurations; configurations derived; configuration ... See more keywords
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Designer Two-Electron Storage Viologen Anolyte Materials for Neutral Aqueous Organic Redox Flow Batteries

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Published in 2017 at "Chem"

DOI: 10.1016/j.chempr.2017.11.001

Abstract: Summary Aqueous organic redox flow batteries (AORFBs) are highly attractive for large-scale energy storage because redox-active organic molecules are synthetically tunable, sustainable, and potentially low cost. Here, we show that rational molecular engineering yielded a… read more here.

Keywords: storage; flow batteries; two electron; redox ... See more keywords
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An unsymmetrical two-electron viologens anolyte for salt cavern redox flow battery

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Published in 2021 at "Journal of Power Sources"

DOI: 10.1016/j.jpowsour.2021.229659

Abstract: Abstract Salt cavern with a volume of hundreds of thousands of cubic meters for storing electrolyte has been considered as a promising large-scale storage technology. However, the solubility and electrochemical stability of active organic species… read more here.

Keywords: salt cavern; unsymmetrical two; two electron; electron viologens ... See more keywords
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A novel, two-electron catalysts for the electro-Fenton process

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Published in 2020 at "Journal of water process engineering"

DOI: 10.1016/j.jwpe.2020.101242

Abstract: Abstract Two new catalysts for the electrochemical Fenton process: Sn2+, and Bi3+ cations have been investigated. We refer to them as "two-electron" catalysts because they are expected to be oxidized to Sn4+ and Bi5+ cations… read more here.

Keywords: electro fenton; electron catalysts; two electron; process ... See more keywords
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Thermoluminescence associated with two-electron traps

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Published in 2017 at "Radiation Measurements"

DOI: 10.1016/j.radmeas.2017.03.002

Abstract: Abstract A model of thermoluminescence (TL) is presented based on a double-occupancy electron trap and a single-hole recombination center. The concept of double-electron traps has been established before with regard to different solid state phenomena… read more here.

Keywords: thermoluminescence associated; two electron; associated two; electron traps ... See more keywords
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Tridentate Ligand with Three Carbanions as Donor Atoms: Formation of Dinuclear, Heptacyclic Complexes of Boron, Aluminum, or Gallium with B-C-B, Al-C-Al, or Ga-C-Ga Three-Center-Two-Electron Bonds.

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Published in 2020 at "Inorganic chemistry"

DOI: 10.1021/acs.inorgchem.0c00254

Abstract: The trilithium compound 1,3-[PhMe2Si-C(Li)═C(H)]2C6H3Li (2b) reacted with BCl3, AlCl3, or GaCl3 by salt elimination to yield dinuclear heptacyclic compounds (4). Two tridentate tricarbanionic ligands coordinate two B, Al, or Ga atoms and adopt a helical… read more here.

Keywords: three center; electron bonds; center two; chemistry ... See more keywords