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

Baobao Cao; Tingting Shi; Shijian Zheng; Yumi H. Ikuhara; Weilie Zhou; David Wood; Mowafak Al-Jassim; Yanfa Yan

doi:10.1021/jp211135r

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

Baobao Cao
, Tingting Shi
, Shijian Zheng
, Yumi H. Ikuhara
, Weilie Zhou
, David Wood
, Mowafak Al-Jassim
, Yanfa Yan

Materials Science

Research output: Contribution to journal › Article › peer-review

13 Scopus Citations

Abstract

A new SnO ₂(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 SnO ₂(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.

Original language	American English
Pages (from-to)	5009-5013
Number of pages	5
Journal	Journal of Physical Chemistry C
Volume	116
Issue number	8
DOIs	https://doi.org/10.1021/jp211135r https://doi.org/10.1021/jp211135r
State	Published - 1 Mar 2012

NLR Publication Number

NREL/JA-5200-54750

Keywords

chemical vapor deposition
crystal structure
nanowire

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title = "New Polytypoid SnO2(ZnO:Sn)m Nanowire: Characterization and Calculation of its Electronic Structure",

abstract = "A new SnO 2(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 SnO 2(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.",

keywords = "chemical vapor deposition, crystal structure, nanowire",

author = "Baobao Cao and Tingting Shi and Shijian Zheng and Ikuhara, \{Yumi H.\} and Weilie Zhou and David Wood and Mowafak Al-Jassim and Yanfa Yan",

year = "2012",

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doi = "10.1021/jp211135r",

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T1 - New Polytypoid SnO2(ZnO:Sn)m Nanowire: Characterization and Calculation of its Electronic Structure

AU - Cao, Baobao

AU - Shi, Tingting

AU - Zheng, Shijian

AU - Ikuhara, Yumi H.

AU - Zhou, Weilie

AU - Wood, David

AU - Al-Jassim, Mowafak

AU - Yan, Yanfa

PY - 2012/3/1

Y1 - 2012/3/1

N2 - A new SnO 2(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 SnO 2(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.

AB - A new SnO 2(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 SnO 2(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.

KW - chemical vapor deposition

KW - crystal structure

KW - nanowire

UR - https://www.scopus.com/pages/publications/84857708791

U2 - 10.1021/jp211135r

DO - 10.1021/jp211135r

M3 - Article

AN - SCOPUS:84857708791

SN - 1932-7447

VL - 116

SP - 5009

EP - 5013

JO - Journal of Physical Chemistry C

JF - Journal of Physical Chemistry C

IS - 8

ER -

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

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