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Structural, Electronic, and Optical Properties of K2Sn3O7 with an Offset Hollandite Structure.
McAuliffe, Rebecca D; Miller, Christopher A; Zhang, Xiao; Hulbert, Benjamin S; Huq, Ashfia; Dela Cruz, Clarina; Schleife, André; Shoemaker, Daniel P.
Afiliación
  • McAuliffe RD; Department of Materials Science and Engineering, Frederick Seitz Materials Research Laboratory, ‡Department of Mechanical Science and Engineering, and ∥Department of Materials Science and Engineering, University of Illinois at Urbana-Champaign , Urbana, Illinois 61801, United States.
  • Miller CA; Spallation Neutron Source and §High-Flux Isotope Reactor, Oak Ridge National Laboratory , Oak Ridge, Tennessee 37831, United States.
  • Zhang X; Department of Materials Science and Engineering, Frederick Seitz Materials Research Laboratory, ‡Department of Mechanical Science and Engineering, and ∥Department of Materials Science and Engineering, University of Illinois at Urbana-Champaign , Urbana, Illinois 61801, United States.
  • Hulbert BS; Spallation Neutron Source and §High-Flux Isotope Reactor, Oak Ridge National Laboratory , Oak Ridge, Tennessee 37831, United States.
  • Huq A; Department of Materials Science and Engineering, Frederick Seitz Materials Research Laboratory, ‡Department of Mechanical Science and Engineering, and ∥Department of Materials Science and Engineering, University of Illinois at Urbana-Champaign , Urbana, Illinois 61801, United States.
  • Dela Cruz C; Spallation Neutron Source and §High-Flux Isotope Reactor, Oak Ridge National Laboratory , Oak Ridge, Tennessee 37831, United States.
  • Schleife A; Department of Materials Science and Engineering, Frederick Seitz Materials Research Laboratory, ‡Department of Mechanical Science and Engineering, and ∥Department of Materials Science and Engineering, University of Illinois at Urbana-Champaign , Urbana, Illinois 61801, United States.
  • Shoemaker DP; Spallation Neutron Source and §High-Flux Isotope Reactor, Oak Ridge National Laboratory , Oak Ridge, Tennessee 37831, United States.
Inorg Chem ; 56(5): 2914-2918, 2017 Mar 06.
Article en En | MEDLINE | ID: mdl-28230368
ABSTRACT
We present the compound K2Sn3O7, a Sn4+-containing oxide with a unique structure type among oxides. The compound is orthorhombic and reminiscent of an offset hollandite, where open channels hold a row of four K+ per channel per cell. UV-visible spectroscopy indicates a wide band gap semiconductor, which is confirmed by first-principles electronic-structure calculations of band structures, densities of states, and optical properties. The continued discovery of new structure types in ternary tin oxides should remain a priority for the identification of prospective ion conductors and transparent conducting compounds.
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Texto completo: 1 Bases de datos: MEDLINE Idioma: En Revista: Inorg Chem Año: 2017 Tipo del documento: Article País de afiliación: Estados Unidos
Texto completo
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XML
PubMed Links
Buscar en Google

Texto completo: 1 Bases de datos: MEDLINE Idioma: En Revista: Inorg Chem Año: 2017 Tipo del documento: Article País de afiliación: Estados Unidos