理解非化学计量氧化物中的化学膨胀:铈和氧化锆的案例研究( Understanding Chemical Expansion in Non-Stoichiometric Oxides: Ceria and Zirconia Case Studies )

D Marrocchelli SR Bishop HL Tuller B Yildiz Theoretical or Mathematical, Experimental/ cerium compounds crystal defects crystal structure molecular dynamics method vacancies (crystal) zirconium compounds/ defect-induced chemical expansion nonstoichiometric oxides ceria zirconia atomic scale computer simulations vacancy formation lattice contraction electrostatic interactions cation radius change lattice expansion steric effects vacancy radius fluorite structured solid oxide fuel cell electrolyte CeO 2 ZrO 2/ A6170B Interstitials and vacancies A6185 Modelling and computer simulation of solid structure A6160 Crystal structure of specific inorganic compounds/ CeO2/bin O2/bin Ce/bin O/bin ZrO2/bin O2/bin Zr/bin O/bin

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