Atomic-Scale Imaging of Cation Ordering in Inverse Spinel Zn₂SnO₄ Nanowires

Abstract

By using high-angle annular dark-field scanning transmission electron microscopy (HAADF-STEM) coupled with density functional theory (DFT) calculations, we demonstrate the atomic-level imaging of cation ordering in inverse spinel Zn₂SnO₄ nanowires. This cation ordering was identified as 1:1 ordering of Zn²⁺ and Sn⁴⁺ at the octahedral sites of the inverse spinel crystal with microscopic symmetry transition from original cubic <i>Fd</i>3̅<i>m</i> to orthorhombic <i>Imma</i> group. This ordering generated a 67.8% increase in the elastic modulus and 1–2 order of magnitude lower in the electric conductivity and electron mobility compared to their bulk counterpart