Atomic structure of a CeO2 grain boundary: The role of oxygen vacancies

Hajime Hojo; Teruyasu Mizoguchi; Hiromichi Ohta; Scott D. Findlay; Naoya Shibata; Takahisa Yamamoto; Yuichi Ikuhara

doi:10.1021/nl1029336

Atomic structure of a CeO₂ grain boundary: The role of oxygen vacancies

Hajime Hojo, Teruyasu Mizoguchi, Hiromichi Ohta, Scott D. Findlay, Naoya Shibata, Takahisa Yamamoto, Yuichi Ikuhara

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

157 Citations (Scopus)

Abstract

Determining both cation and oxygen sublattices of grain boundaries is essential to understand the properties of oxides. Here, with scanning transmission electron microscopy, electron energy-loss spectroscopy, and first-principles calculations, both the Ce and oxygen sublattices of a (210)Σ5 CeO₂ grain boundary were determined. Oxygen vacancies are shown to play a crucial role in the stable grain boundary structure. This finding paves the way for a comprehensive understanding of grain boundaries through the atomic scale determination of atom and defect locations.

Original language	English
Pages (from-to)	4668-4672
Number of pages	5
Journal	Nano Letters
Volume	10
Issue number	11
DOIs	https://doi.org/10.1021/nl1029336
Publication status	Published - Nov 10 2010
Externally published	Yes

All Science Journal Classification (ASJC) codes

Bioengineering
Chemistry(all)
Materials Science(all)
Condensed Matter Physics
Mechanical Engineering

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10.1021/nl1029336

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AU - Ohta, Hiromichi

AU - Findlay, Scott D.

AU - Shibata, Naoya

AU - Yamamoto, Takahisa

AU - Ikuhara, Yuichi

PY - 2010/11/10

Y1 - 2010/11/10

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AB - Determining both cation and oxygen sublattices of grain boundaries is essential to understand the properties of oxides. Here, with scanning transmission electron microscopy, electron energy-loss spectroscopy, and first-principles calculations, both the Ce and oxygen sublattices of a (210)Σ5 CeO2 grain boundary were determined. Oxygen vacancies are shown to play a crucial role in the stable grain boundary structure. This finding paves the way for a comprehensive understanding of grain boundaries through the atomic scale determination of atom and defect locations.

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Atomic structure of a CeO₂ grain boundary: The role of oxygen vacancies

Abstract

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