Determination of surface oxygen vacancy position in SnO2 nanocrystals by Raman spectroscopy

L. Z. Liu; X. L. Wu; F. Gao; J. C. Shen; T. H. Li; Paul K. Chu

doi:10.1016/j.ssc.2011.03.029

Determination of surface oxygen vacancy position in SnO₂ nanocrystals by Raman spectroscopy

L. Z. Liu
, X. L. Wu
, F. Gao
, J. C. Shen
, T. H. Li
, Paul K. Chu

Research output: Journal Publications and Reviews › RGC 21 - Publication in refereed journal › peer-review

120 Citations (Scopus)

Abstract

Raman spectra acquired from SnO₂ nanocrystals with different sizes show a size-independent Raman mode at ∼574 cm^-1. The intensity increases as the nanocrystal size decreases and this tendency is contrary to that of the normal bulk Raman modes. By considering the existence of oxygen vacancies at the nanocrystal surface, we adopt the density functional theory to calculate the Raman spectra with different oxygen vacancy positions and concentrations. The results clearly demonstrate that the in-plane oxygen vacancy is responsible for the 574 cm^-1 mode and the intensity enhancement is a result of the higher in-plane oxygen vacancy concentration. © 2011 Elsevier Ltd. All rights reserved.

Original language	English
Pages (from-to)	811-814
Journal	Solid State Communications
Volume	151
Issue number	11
DOIs	https://doi.org/10.1016/j.ssc.2011.03.029
Publication status	Published - Jun 2011

Research Keywords

A. Oxygen vacancies
A. SnO2 nanocrystals
D. Raman scattering

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10.1016/j.ssc.2011.03.029

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Cite this

@article{547d0b8c2a1d45758332c0b52831bda3,

title = "Determination of surface oxygen vacancy position in SnO2 nanocrystals by Raman spectroscopy",

abstract = "Raman spectra acquired from SnO2 nanocrystals with different sizes show a size-independent Raman mode at ∼574 cm-1. The intensity increases as the nanocrystal size decreases and this tendency is contrary to that of the normal bulk Raman modes. By considering the existence of oxygen vacancies at the nanocrystal surface, we adopt the density functional theory to calculate the Raman spectra with different oxygen vacancy positions and concentrations. The results clearly demonstrate that the in-plane oxygen vacancy is responsible for the 574 cm-1 mode and the intensity enhancement is a result of the higher in-plane oxygen vacancy concentration. {\textcopyright} 2011 Elsevier Ltd. All rights reserved.",

keywords = "A. Oxygen vacancies, A. SnO2 nanocrystals, D. Raman scattering",

author = "Liu, \{L. Z.\} and Wu, \{X. L.\} and F. Gao and Shen, \{J. C.\} and Li, \{T. H.\} and Chu, \{Paul K.\}",

year = "2011",

month = jun,

doi = "10.1016/j.ssc.2011.03.029",

language = "English",

volume = "151",

pages = "811--814",

journal = "Solid State Communications",

issn = "0038-1098",

publisher = "Elsevier Ltd.",

number = "11",

}

TY - JOUR

T1 - Determination of surface oxygen vacancy position in SnO2 nanocrystals by Raman spectroscopy

AU - Liu, L. Z.

AU - Wu, X. L.

AU - Gao, F.

AU - Shen, J. C.

AU - Li, T. H.

AU - Chu, Paul K.

PY - 2011/6

Y1 - 2011/6

N2 - Raman spectra acquired from SnO2 nanocrystals with different sizes show a size-independent Raman mode at ∼574 cm-1. The intensity increases as the nanocrystal size decreases and this tendency is contrary to that of the normal bulk Raman modes. By considering the existence of oxygen vacancies at the nanocrystal surface, we adopt the density functional theory to calculate the Raman spectra with different oxygen vacancy positions and concentrations. The results clearly demonstrate that the in-plane oxygen vacancy is responsible for the 574 cm-1 mode and the intensity enhancement is a result of the higher in-plane oxygen vacancy concentration. © 2011 Elsevier Ltd. All rights reserved.

AB - Raman spectra acquired from SnO2 nanocrystals with different sizes show a size-independent Raman mode at ∼574 cm-1. The intensity increases as the nanocrystal size decreases and this tendency is contrary to that of the normal bulk Raman modes. By considering the existence of oxygen vacancies at the nanocrystal surface, we adopt the density functional theory to calculate the Raman spectra with different oxygen vacancy positions and concentrations. The results clearly demonstrate that the in-plane oxygen vacancy is responsible for the 574 cm-1 mode and the intensity enhancement is a result of the higher in-plane oxygen vacancy concentration. © 2011 Elsevier Ltd. All rights reserved.

KW - A. Oxygen vacancies

KW - A. SnO2 nanocrystals

KW - D. Raman scattering

UR - https://www.scopus.com/pages/publications/79955592244

UR - https://www.scopus.com/record/pubmetrics.uri?eid=2-s2.0-79955592244&origin=recordpage

U2 - 10.1016/j.ssc.2011.03.029

DO - 10.1016/j.ssc.2011.03.029

M3 - RGC 21 - Publication in refereed journal

SN - 0038-1098

VL - 151

SP - 811

EP - 814

JO - Solid State Communications

JF - Solid State Communications

IS - 11

ER -