Engineering of Facets, Band Structure, and Gas‐Sensing Properties of Hierarchical Sn²⁺‐Doped SnO₂ Nanostructures

Abstract

Abstract Hierarchical SnO 2 nanoflowers, assembled from single‐crystalline SnO 2 nanosheets with high‐index (11 $ \bar 3 $ ) and (10 $ \bar 2 $ ) facets exposed, are prepared via a hydrothermal method using sodium fluoride as the morphology controlling agent. Formation of the 3D hierarchical architecture comprising of SnO 2 nanosheets takes place via Ostwald ripening mechanism, with the growth orientation regulated by the adsorbate fluorine species. The use of Sn(II) precursor results in simultaneous Sn 2+ self‐doping of SnO 2 nanoflowers with tunable oxygen vacancy bandgap states. The latter further results in the shifting of semiconductor Fermi levels and extended absorption in the visible spectral range. With increased density of states of Sn 2+ ‐doped SnO 2 selective facets, this gives rise to enhanced interfacial charge transfer, that is, high sensing response, and selectivity towards oxidizing NO 2 gas. The better gas sensing performance over (10 $ \bar 2 $ ) compared to (11 $ \bar 3 $ ) faceted SnO 2 nanostructures is elucidated by surface energetic calculations and Bader analyses. This work highlights the possibility of simultaneous engineering of surface energetics and electronic properties of SnO 2 based materials.