Effects of penta- and trivalent dopants on structure and conductivity of Li7La3Zr2O12
作者： W. Gu , M. Ezbiri , R. Prasada Rao , M. Avdeev , S. Adams
DOI: 10.1016/J.SSI.2015.03.019
关键词: Analytical chemistry 、 Doping 、 Vacancy defect 、 Conductivity 、 Fast ion conductor 、 Inorganic chemistry 、 Dopant 、 Powder diffraction 、 Ionic conductivity 、 Materials science 、 Neutron diffraction
摘要: Abstract Due to their high ionic conductivity and stability versus metallic lithium, garnet-related Li 7 La 3 Zr 2 O 12 (LLZ) are of interest as + solid electrolytes. The correlation between structure ion mobility in undoped, Ta 5 + , Nb Ga 3 + or Al doped LLZ is studied combining molecular dynamics (MD) simulations experimental characterisation. Neutron situ XRD powder diffraction employed analyse the dopant distribution temperature dependence structure. Pentavalent doping enhances by increasing vacancy concentration reducing local ordering. Trivalent on site slightly less effective enhancing conductivity. only helps retain cubic phase, but does not affect mobile charge carrier concentration. cooling rate after sintering found strongly both its hysteresis subsequent thermal cycling low range, which can be attributed ordering manifested non-linear variations lattice parameters.
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