TY - JOUR
T1 - Structural, Electronic, and Optical Properties of K2Sn3O7 with an Offset Hollandite Structure
AU - McAuliffe, Rebecca D.
AU - Miller, Christopher A.
AU - Zhang, Xiao
AU - Hulbert, Benjamin S.
AU - Huq, Ashfia
AU - Dela Cruz, Clarina
AU - Schleife, André
AU - Shoemaker, Daniel P.
N1 - Publisher Copyright:
© 2017 American Chemical Society.
PY - 2017/3/6
Y1 - 2017/3/6
N2 - 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.
AB - 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.
UR - http://www.scopus.com/inward/record.url?scp=85014576978&partnerID=8YFLogxK
U2 - 10.1021/acs.inorgchem.6b03007
DO - 10.1021/acs.inorgchem.6b03007
M3 - Article
C2 - 28230368
AN - SCOPUS:85014576978
SN - 0020-1669
VL - 56
SP - 2914
EP - 2918
JO - Inorganic Chemistry
JF - Inorganic Chemistry
IS - 5
ER -