In situ preparation and determination of CeO2 high-index surface atomic structures

Chen Zou; Guanxing Li; Kai Zhang; Zhong Kang Han; Ying Jiang; Wentao Yuan; Hangsheng Yang; Ze Zhang; Yong Wang

doi:10.1016/j.mtnano.2023.100411

In situ preparation and determination of CeO2 high-index surface atomic structures

Chen Zou, Guanxing Li, Kai Zhang, Zhong Kang Han, Ying Jiang, Wentao Yuan, Hangsheng Yang, Ze Zhang, Yong Wang

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Abstract

Understanding the properties regarding the high-index surfaces of the oxide nanocrystals is of great importance, but it remains challenging to obtain atomic-level information due to the lack of efficient preparation methods for high-index surfaces. Herein, we presented a work to in situ prepare and determine the intrinsic atomic structures of nanocrystalline CeO2 high-index surfaces via in situ spherical aberration (Cs)-corrected scanning transmission electron microscopy (STEM). By utilizing a reshaping process driven by the Wulff reconstruction, high-index surfaces of CeO2 nanocrystals including {210} {311}, and {533} were successfully prepared. Combined STEM with the density functional theory calculations, these high-index surface structures were determined with atomic precision, and interestingly {533} exhibited a unique atomic pit feature with low-coordinated Ce atoms exposure and unique electrical properties. This work has revealed new information about CeO2 high-index surfaces through experiments, enhancing our understanding of these surfaces, and also providing a new route for preparing high-index surfaces.

Original language	English (US)
Pages (from-to)	100411
Journal	Materials Today Nano
Volume	24
DOIs	https://doi.org/10.1016/j.mtnano.2023.100411
State	Published - Sep 27 2023

Bibliographical note

KAUST Repository Item: Exported on 2023-10-04
Acknowledgements: We acknowledge the financial support of the National Key Research and Development Program of China (2022YFA1505500), the National Natural Science Foundation of China (51971202, 52025011, 92045301, and 52171019), the Key Research and Development Program of Zhejiang Province (2021C01003), the Zhejiang Provincial Natural Science Foundation of China (LR23B030004, LD19B030001), Shanxi-Zheda Institute of Advanced Materials and Chemical Engineering and the Fundamental Research Funds for the Central Universities.

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title = "In situ preparation and determination of CeO2 high-index surface atomic structures",

abstract = "Understanding the properties regarding the high-index surfaces of the oxide nanocrystals is of great importance, but it remains challenging to obtain atomic-level information due to the lack of efficient preparation methods for high-index surfaces. Herein, we presented a work to in situ prepare and determine the intrinsic atomic structures of nanocrystalline CeO2 high-index surfaces via in situ spherical aberration (Cs)-corrected scanning transmission electron microscopy (STEM). By utilizing a reshaping process driven by the Wulff reconstruction, high-index surfaces of CeO2 nanocrystals including {210} {311}, and {533} were successfully prepared. Combined STEM with the density functional theory calculations, these high-index surface structures were determined with atomic precision, and interestingly {533} exhibited a unique atomic pit feature with low-coordinated Ce atoms exposure and unique electrical properties. This work has revealed new information about CeO2 high-index surfaces through experiments, enhancing our understanding of these surfaces, and also providing a new route for preparing high-index surfaces.",

author = "Chen Zou and Guanxing Li and Kai Zhang and Han, {Zhong Kang} and Ying Jiang and Wentao Yuan and Hangsheng Yang and Ze Zhang and Yong Wang",

note = "KAUST Repository Item: Exported on 2023-10-04 Acknowledgements: We acknowledge the financial support of the National Key Research and Development Program of China (2022YFA1505500), the National Natural Science Foundation of China (51971202, 52025011, 92045301, and 52171019), the Key Research and Development Program of Zhejiang Province (2021C01003), the Zhejiang Provincial Natural Science Foundation of China (LR23B030004, LD19B030001), Shanxi-Zheda Institute of Advanced Materials and Chemical Engineering and the Fundamental Research Funds for the Central Universities.",

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AU - Zou, Chen

AU - Li, Guanxing

AU - Zhang, Kai

AU - Han, Zhong Kang

AU - Jiang, Ying

AU - Yuan, Wentao

AU - Yang, Hangsheng

AU - Zhang, Ze

AU - Wang, Yong

N1 - KAUST Repository Item: Exported on 2023-10-04 Acknowledgements: We acknowledge the financial support of the National Key Research and Development Program of China (2022YFA1505500), the National Natural Science Foundation of China (51971202, 52025011, 92045301, and 52171019), the Key Research and Development Program of Zhejiang Province (2021C01003), the Zhejiang Provincial Natural Science Foundation of China (LR23B030004, LD19B030001), Shanxi-Zheda Institute of Advanced Materials and Chemical Engineering and the Fundamental Research Funds for the Central Universities.

PY - 2023/9/27

Y1 - 2023/9/27

N2 - Understanding the properties regarding the high-index surfaces of the oxide nanocrystals is of great importance, but it remains challenging to obtain atomic-level information due to the lack of efficient preparation methods for high-index surfaces. Herein, we presented a work to in situ prepare and determine the intrinsic atomic structures of nanocrystalline CeO2 high-index surfaces via in situ spherical aberration (Cs)-corrected scanning transmission electron microscopy (STEM). By utilizing a reshaping process driven by the Wulff reconstruction, high-index surfaces of CeO2 nanocrystals including {210} {311}, and {533} were successfully prepared. Combined STEM with the density functional theory calculations, these high-index surface structures were determined with atomic precision, and interestingly {533} exhibited a unique atomic pit feature with low-coordinated Ce atoms exposure and unique electrical properties. This work has revealed new information about CeO2 high-index surfaces through experiments, enhancing our understanding of these surfaces, and also providing a new route for preparing high-index surfaces.

AB - Understanding the properties regarding the high-index surfaces of the oxide nanocrystals is of great importance, but it remains challenging to obtain atomic-level information due to the lack of efficient preparation methods for high-index surfaces. Herein, we presented a work to in situ prepare and determine the intrinsic atomic structures of nanocrystalline CeO2 high-index surfaces via in situ spherical aberration (Cs)-corrected scanning transmission electron microscopy (STEM). By utilizing a reshaping process driven by the Wulff reconstruction, high-index surfaces of CeO2 nanocrystals including {210} {311}, and {533} were successfully prepared. Combined STEM with the density functional theory calculations, these high-index surface structures were determined with atomic precision, and interestingly {533} exhibited a unique atomic pit feature with low-coordinated Ce atoms exposure and unique electrical properties. This work has revealed new information about CeO2 high-index surfaces through experiments, enhancing our understanding of these surfaces, and also providing a new route for preparing high-index surfaces.

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DO - 10.1016/j.mtnano.2023.100411

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VL - 24

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JO - Materials Today Nano

JF - Materials Today Nano

ER -

In situ preparation and determination of CeO2 high-index surface atomic structures

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