We investigated the effect of additional doping with Ce on the ionic conductivity of the Nb-doped Li_(7)La_(3)Zr_(2)O_(12)(LLZO)garnet ceramics using a combination of experimental and modeling approaches.Our results i...We investigated the effect of additional doping with Ce on the ionic conductivity of the Nb-doped Li_(7)La_(3)Zr_(2)O_(12)(LLZO)garnet ceramics using a combination of experimental and modeling approaches.Our results indicate that Ce doping can alter lattice parameters of the LLZNO,leading to the enhanced lithium ionic conductivity.The Ce,Nb co-doped LLZO(LLZNCO)structure with composition Li_(6.5)La_(3)Zr_(1.5-x)Nb_(0.5)Ce_(x)O_(12)(x=0.125)exhibits a lower activation energy(E_(a)=0.39 eV)than Li_(6.5)La_(3)Zr_(1.5)Nb_(0.5)O_(12)(LLZNO)(E_(a)=0.41 eV).Furthermore,Ce doping leads to an increase in Li~+conductivity from 6.4×10^(-4)to 7×10^(-4)S/cm at room temperature.In addition,we discuss the diffusivity and conductivity of our samples using ab initio molecular dynamics simulations and propose possible mechanisms to explain the enhanced Li-ion conductivity caused by co-doping with Ce and Nb.Our results demonstrate that the LLZNCO ceramics are promising candidates for potential solid-state electrolytes for Li-ion batteries.展开更多
基金Project supported by the Scientific Research Startup Fund of Inner Mongolia University of Science and Technology(0303052202)Natural Science Foundation of Inner Mongolia Autonomous Region(2020ZD17,2022FX08)。
文摘We investigated the effect of additional doping with Ce on the ionic conductivity of the Nb-doped Li_(7)La_(3)Zr_(2)O_(12)(LLZO)garnet ceramics using a combination of experimental and modeling approaches.Our results indicate that Ce doping can alter lattice parameters of the LLZNO,leading to the enhanced lithium ionic conductivity.The Ce,Nb co-doped LLZO(LLZNCO)structure with composition Li_(6.5)La_(3)Zr_(1.5-x)Nb_(0.5)Ce_(x)O_(12)(x=0.125)exhibits a lower activation energy(E_(a)=0.39 eV)than Li_(6.5)La_(3)Zr_(1.5)Nb_(0.5)O_(12)(LLZNO)(E_(a)=0.41 eV).Furthermore,Ce doping leads to an increase in Li~+conductivity from 6.4×10^(-4)to 7×10^(-4)S/cm at room temperature.In addition,we discuss the diffusivity and conductivity of our samples using ab initio molecular dynamics simulations and propose possible mechanisms to explain the enhanced Li-ion conductivity caused by co-doping with Ce and Nb.Our results demonstrate that the LLZNCO ceramics are promising candidates for potential solid-state electrolytes for Li-ion batteries.
