Atomic-scale insights into electro-steric substitutional chemistry of cerium oxide

Abstract

Cerium oxide is one of the most promising mixed ionic and electronic conducting material. Previous atomistic analysis has widely covered the effects of substitutional on oxygen vacancy migration. However, an...

Engineering of Electromechanical Oxides by Symmetry Breaking

“…[ 82 ] Figure summarizes the experimental results for the electrostrictive performance of doped ceria with various aliovalent cations sizes and the theoretically calculated values for the binding energies of $\[V_{\rm{O}}^{ \cdot \cdot }\]$. [ 83–85 ] The binding energies of Ce‐$\[V_{\rm{O}}^{ \cdot \cdot }\]$, which depend on the dopant size, determine the magnitude of the low‐frequency giant electrostriction, that is, larger dopants (Sc 3+ , Mg 2+ , Gd 3+ , La 3+ ) give larger electrostrictions. These results reveal that the ionic radius of the aliovalent cation dopants is an effective parameter to tune the electromechanical properties of ceria‐based materials.…”

“…[89]); solution energy and binding energy of c) M 3+ and d) M 2+ cations in CeO 2 solid solutions calculated by atomic scale simulations. [ 85 ] c,d) Reproduced with permission. [ 85 ] Copyright 2020, Royal Society of Chemistry.…”

“…[82] Figure 5 summarizes the experimental results for the electrostrictive performance of doped ceria with various aliovalent cations sizes and the theoretically calculated values for the binding energies of V ⋅⋅ O . [83][84][85] The binding energies of Ce-V ⋅⋅ O , which depend on the dopant size, determine the magnitude of the low-frequency giant electrostriction, that is, larger dopants (Sc 3+ , Mg 2+ , Gd 3+ , La 3+ ) give larger electrostrictions.…”

Gigantic electro-chemo-mechanical properties of nanostructured praseodymium doped ceria

“…5 Characteristically, such point defects control intrinsic properties of ceria. Some examples are ionic conductivity 6 , mass transport [7][8][9][10] , mechanical properties 11 , and electrostriction [12][13][14][15] . The chemical reduction of the host cation is strongly dependent on the properties of the dopant.…”

“…Oxygen vacancies induce a local electromechanical active distorted domain in the fluorite lattice that is centred at the [Ce ce -7O o -] complex. 6,12,16,17 Under an electric V •• O field, point defects in the distorted lattice reorient, leading to a local atomic displacement with a macroscopic giant electromechanical strain. 12 Recently, global environmental measures restrict the manufacture and use of lead-based materials in various consumer items.…”