Abstract
Scrutinyite SnO2 was synthesized by annealing SnO nanoparticles fabricated from micron-size SnO via ball milling. The isotropic as well as anisotropic chemical shifts of 119Sn obtained by solid-state nuclear magnetic resonance method, were verified computationally using a pseudopotential method in density-functional theory. The results fit with 6-fold coordinated Sn. A linear relationship holds empirically between isotropic shift and coordination number divided by Sn-O average bond length in all polymorphs of tin oxides. When the annealing proceeded in an oxygen-free atmosphere, metallic tin, the rutile phase of SnO2 and oxygen vacancies associated with permanent electric dipoles were also detected by thermal analysis and dielectric spectroscopy.
Highlights
Tin oxide is a versatile electronic material
Tin oxide exists in its cassiterite phase of rutile structure (r-SnO2). r-SnO2 has the space group P42/mnm[6] and a tetragonal unit cell (a = 4.737, b = 4.737, c = 3.186 Å) where each Sn4+ ion sits at the center of an octahedron formed by six oxygen ions
This paper reports our study on mixed phases of SnO2, obtained by grinding micron-size SnO into nano particles mechanochemically,[19] followed by thermal processing
Summary
Tin oxide is a versatile electronic material. As an n-type semiconductor with a direct band gap of 3.6 eV, it is widely used in gas sensors[1] and catalysts,[2] and serves as anode or cathode material in lithium-ion batteries[3,4] and dye-sensitized solar cells.[5]. Essential to understand all factors that influence the concentration and mobility of defects, such as Sn coordination. This paper reports our study on mixed phases of SnO2, obtained by grinding micron-size SnO into nano particles mechanochemically,[19] followed by thermal processing. We characterized the phase compositions of products obtained under various processing conditions, and relied on solid-state magic angle spinning (MAS) and static nuclear magnetic resonance (NMR) to determine the oxygen coordination of 119Sn in those phases
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