A quantum chemical study on the chemical environment of water molecules adsorbed on the anatase surface View Full Text


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Article Info

DATE

2019-07-09

AUTHORS

O. Smirnova, A. Grebenyuk, V. Lobanov

ABSTRACT

The spatial structure and electronic structure of oxygen defect and nitrogen impurity centers of anatase and their manifestation in water adsorption, O1s XPS spectra were analyzed. The role of various forms of adsorbed water on anatase surface is considered. The results of experimental studies are compared with the properties of molecular models for the bulk and surface of titanium dioxide studied by the quantum chemical density functional theory method. More... »

PAGES

1251-1254

References to SciGraph publications

  • 2017-09-05. Quantum Chemical Study of Water Molecule Adsorption on the Nitrogen-Doped Titania Thin Films in NANOPHYSICS, NANOMATERIALS, INTERFACE STUDIES, AND APPLICATIONS
  • 2010-07-08. Electronic and spatial structure of nanoclusters of Sn2P2S6 ferroelectric crystals in PHYSICS OF THE SOLID STATE
  • Identifiers

    URI

    http://scigraph.springernature.com/pub.10.1007/s13204-019-01100-7

    DOI

    http://dx.doi.org/10.1007/s13204-019-01100-7

    DIMENSIONS

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