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Molecular Spectroscopy by Means of ESCA II. Sulfur compounds. Correlation of electron binding energy with structure
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In this article, a correlation has been established between the observed position of inner electron lines of sulfur and structure, and the influence of structure on the electron binding energies is discussed in terms of a calculated atomic charge, based on the concepts of electronegativity and partial ionic character of bonds.Abstract:
Electron spectra from an extensive series of sulfur compounds have been studied. A correlation has been established between the observed position of inner electron lines of sulfur and structure. The influence of structure on the electron binding energies is discussed in terms of a calculated atomic charge, based on the concepts of electronegativity and partial ionic character of bonds. The results are useful for the study of bonding and structure in sulfur chemistry, and are applied particularly to the discussion of the sulfur-oxygen bond (S=O).read more
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Unique Electronic Structure Induced High Photoreactivity of Sulfur-Doped Graphitic C3N4
TL;DR: The homogeneous substitution of sulfur for lattice nitrogen and a concomitant quantum confinement effect are identified as the cause of this unique electronic structure and the excellent photoreactivity of C(3)N(4-x)S(x), which may shed light on general doping strategies for designing potentially efficient photocatalysts.
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A highly efficient polysulfide mediator for lithium-sulfur batteries.
TL;DR: A strategy to entrap polysulfides in the cathode that relies on a chemical process, whereby a host--manganese dioxide nanosheets serve as the prototype--reacts with initially formed lithium polysolfides to form surface-bound intermediates, which are among the best reported to date.
Journal ArticleDOI
Band gap narrowing of titanium dioxide by sulfur doping
TL;DR: In this paper, the authors used ab initio band calculations to find that mixing of the S 3p states with the valence band can contribute to the band gap narrowing, based on the theoretical analyses.
Bandgap narrowing of titanium dioxide by sulfur doping
Abstract: Titanium dioxide (TiO2) doped with sulfur (S) was synthesized by oxidation annealing of titanium disulfide (TiS2). According to the x-ray diffraction patterns, TiS2 turned into anatase TiO2 when annealed at 600 °C. The residual S atoms occupied O-atom sites in TiO2 to form Ti–S bonds. The S doping caused the absorption edge of TiO2 to be shifted into the lower-energy region. Based on the theoretical analyses using ab initio band calculations, mixing of the S 3p states with the valence band was found to contribute to the band gap narrowing.
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X-ray photoelectron spectroscopy: Towards reliable binding energy referencing
Grzegorz Greczynski,Lars Hultman +1 more
TL;DR: In this paper, the authors present a review of the status quo of X-ray photoelectron spectroscopy with a historical perspective, provide the technique's operating principles, resolve myths associated with C 1s referencing, and offer a comprehensive account of recent findings.
References
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Self-Consistent Field Theory for Open Shells of Electronic Systems
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X-Ray Wavelengths
TL;DR: In this article, a review of the experimental measurements which are used to establish the wavelength of this line on an absolute angstrom basis is given, and the recommended wavelength values are listed in \AA{}* units together with probable errors; corresponding energies are given in keV.
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Approximate Self‐Consistent Molecular‐Orbital Theory. V. Intermediate Neglect of Differential Overlap
TL;DR: The Intermediate Neglect of Differential Overlap (INDO) method proposed in this article is an improvement over the CNDO method, in that atomic term-level splittings and unpaired spin distributions are better accommodated.