Title of article :
Changes in structure and proton conductivity at II–III phase transition of Rb3H(SO4)2
Author/Authors :
Yamawaki، نويسنده , , Hiroshi and Fujihisa، نويسنده , , Hiroshi and Honda، نويسنده , , Kazumasa and Gotoh، نويسنده , , Yoshito، نويسنده ,
Issue Information :
هفته نامه با شماره پیاپی سال 2010
Pages :
5
From page :
567
To page :
571
Abstract :
Raman and powder X-ray measurements were obtained up to 4 GPa for phases II and III of Rb3H(SO4)2. Geometry optimization by the DFT methods was carried out using the data of powder X-ray measurements. The pressure dependence of the strength of the hydrogen bond corresponded well to the change in proton conductivity. The crystal structure calculated by the geometry optimization indicated an exchange of the counterpart of the dimer at the transition. This caused a temporal increase in the hydrogen bond length and an increase in proton conductivity at the II–III transition.
Keywords :
high pressure , X-ray diffraction , Solid acid , phase transition , proton conductivity
Journal title :
Solid State Ionics
Serial Year :
2010
Journal title :
Solid State Ionics
Record number :
1721778
Link To Document :
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