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Polar surface structure of oxide nanocrystals revealed with solid-state NMR spectroscopy

Chen, Junchao; Wu, Xin Ping; Hope, Michael A.; Qian, Kun; Halat, David M.; Liu, Tao; Li, Yuhong; Shen, Li; Ke, Xiaokang; Wen, Yujie; Du, Jia Huan; Magusin, Pieter C. M. M.; Paul, Subhradip; Ding, Weiping; Gong, Xue Qing; Grey, Clare P.; Peng, Luming


Junchao Chen

Xin Ping Wu

Michael A. Hope

Kun Qian

David M. Halat

Tao Liu

Yuhong Li

Li Shen

Xiaokang Ke

Yujie Wen

Jia Huan Du

Pieter C. M. M. Magusin

Subhradip Paul

Weiping Ding

Xue Qing Gong

Clare P. Grey

Luming Peng


© 2019, The Author(s). Compared to nanomaterials exposing nonpolar facets, polar-faceted nanocrystals often exhibit unexpected and interesting properties. The electrostatic instability arising from the intrinsic dipole moments of polar facets, however, leads to different surface configurations in many cases, making it challenging to extract detailed structural information and develop structure-property relations. The widely used electron microscopy techniques are limited because the volumes sampled may not be representative, and they provide little chemical bonding information with low contrast of light elements. With ceria nanocubes exposing (100) facets as an example, here we show that the polar surface structure of oxide nanocrystals can be investigated by applying 17O and 1H solid-state NMR spectroscopy and dynamic nuclear polarization, combined with DFT calculations. Both CeO4-termination reconstructions and hydroxyls are present for surface polarity compensation and their concentrations can be quantified. These results open up new possibilities for investigating the structure and properties of oxide nanostructures with polar facets.


Chen, J., Wu, X. P., Hope, M. A., Qian, K., Halat, D. M., Liu, T., …Peng, L. (2019). Polar surface structure of oxide nanocrystals revealed with solid-state NMR spectroscopy. Nature Communications, 10(1), Article 5420.

Journal Article Type Article
Acceptance Date Nov 7, 2019
Online Publication Date Nov 28, 2019
Publication Date Dec 1, 2019
Deposit Date Dec 13, 2019
Publicly Available Date Dec 17, 2019
Journal Nature Communications
Electronic ISSN 2041-1723
Publisher Nature Publishing Group
Peer Reviewed Peer Reviewed
Volume 10
Issue 1
Article Number 5420
Keywords General Biochemistry, Genetics and Molecular Biology; General Physics and Astronomy; General Chemistry
Public URL
Additional Information Received: 6 March 2019; Accepted: 7 November 2019; First Online: 28 November 2019; : The authors declare no competing interests.


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