New Polytypoid SnO2(ZnO:Sn)m Nanowire: Characterization and Calculation of Its Electronic Structure

Abstract

A new SnO2(ZnO:Sn)m polytypoid nanowire has been synthesized through a two-step chemical vapor deposition (CVD) method. Cs-corrected scanning transmission electron microscopy (STEM) studies indicate the crystal structure consists of an alternating stack of a Sn–O octahedral layer and a (Sn/Zn)–O wurtzite slab. First-principles density-functional theory (DFT) calculations suggest Sn atoms in the Sn-doped ZnO slabs have both 4- and 6-fold coordination, forming an inversion boundary of polarity. The SnO2(ZnO:Sn)m nanowires may exhibit unique anisotropic electronic properties: poor conductivity along the wire axis, but metallic conductivity along the diametrical directions according to the calculations.