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

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• 作者：Baobao Cao ; Tingting Shi ; Shijian Zheng ; Yumi H. Ikuhara ; Weilie Zhou ; David Wood ; Mowafak Al-Jassim ; Yanfa Yan
• 刊名：The Journal of Physical Chemistry C
• 出版年：2012
• 出版时间：March 1, 2012
• 年：2012
• 卷：116
• 期：8
• 页码：5009-5013
• 全文大小：417K
• 年卷期：v.116,no.8(March 1, 2012)
• ISSN：1932-7455

文摘

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鈥揙 octahedral layer and a (Sn/Zn)鈥揙 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.