17                         o solid-state nmr studies of zro                         2                          nanoparticles

Li Shen; Xin Ping Wu; Yang Wang; Meng Wang; Junchao Chen; Yuhong Li; Hua Huo; Wenhua Hou; Weiping Ding; Xue Qing Gong; Luming Peng

doi:10.1021/acs.jpcc.8b11091

¹⁷ o solid-state nmr studies of zro ₂ nanoparticles

Li Shen, Xin Ping Wu, Yang Wang, Meng Wang, Junchao Chen, Yuhong Li, Hua Huo, Wenhua Hou, Weiping Ding, Xue Qing Gong, Luming Peng

Chemistry (Twin Cities)

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

18 Scopus citations

Abstract

¹⁷ O solid-state NMR spectroscopy was applied to study the structure of monoclinic and tetragonal zirconia nanoparticles with the help of density functional theory calculations for spectral assignments. Although high-temperature ¹⁷ O enrichment allows detection of oxygen ions in the "bulk" part of nanoparticles, selective NMR observation of surface oxygen species can be realized using ¹⁷ O-labeled water to enrich surface oxygen sites at a relatively low temperature. The high-frequency ¹⁷ O NMR resonances arising from low-coordinated oxygen ions on the surface of monoclinic and tetragonal zirconia nanoparticles were observed for the first time. The results are the basis for further understanding of structure-properties relations of zirconia nanomaterials.

Original language	English (US)
Pages (from-to)	4158-4167
Number of pages	10
Journal	Journal of Physical Chemistry C
Volume	123
Issue number	7
DOIs	https://doi.org/10.1021/acs.jpcc.8b11091
State	Published - Feb 21 2019

Bibliographical note

Funding Information:
This work was supported by the National Natural Science Foundation of China (NSFC) (91745202, 21573103, and 21825301) and the NSFCRoyal Society Joint Program (21661130149 and 21611130177). The ECUST group also thanks the Programme of Introducing Talents of Discipline to Universities (B16017) and the National Super Computing Centre in Jinan for computing time. L.P. thanks the Royal Society and Newton Fund for Royal Society-Newton Advanced Fellowship. This work was also supported by a Project Funded by the Priority Academic Program Development of Jiangsu Higher Education Institutions.

Publisher Copyright:
© 2019 American Chemical Society.

Publisher link

10.1021/acs.jpcc.8b11091

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@article{7afba6ceafb045c08b836d5b9d3c9b6c,

title = "17 o solid-state nmr studies of zro 2 nanoparticles",

abstract = "17 O solid-state NMR spectroscopy was applied to study the structure of monoclinic and tetragonal zirconia nanoparticles with the help of density functional theory calculations for spectral assignments. Although high-temperature 17 O enrichment allows detection of oxygen ions in the {"}bulk{"} part of nanoparticles, selective NMR observation of surface oxygen species can be realized using 17 O-labeled water to enrich surface oxygen sites at a relatively low temperature. The high-frequency 17 O NMR resonances arising from low-coordinated oxygen ions on the surface of monoclinic and tetragonal zirconia nanoparticles were observed for the first time. The results are the basis for further understanding of structure-properties relations of zirconia nanomaterials. ",

author = "Li Shen and Wu, {Xin Ping} and Yang Wang and Meng Wang and Junchao Chen and Yuhong Li and Hua Huo and Wenhua Hou and Weiping Ding and Gong, {Xue Qing} and Luming Peng",

note = "Funding Information: This work was supported by the National Natural Science Foundation of China (NSFC) (91745202, 21573103, and 21825301) and the NSFCRoyal Society Joint Program (21661130149 and 21611130177). The ECUST group also thanks the Programme of Introducing Talents of Discipline to Universities (B16017) and the National Super Computing Centre in Jinan for computing time. L.P. thanks the Royal Society and Newton Fund for Royal Society-Newton Advanced Fellowship. This work was also supported by a Project Funded by the Priority Academic Program Development of Jiangsu Higher Education Institutions. Publisher Copyright: {\textcopyright} 2019 American Chemical Society.",

year = "2019",

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doi = "10.1021/acs.jpcc.8b11091",

language = "English (US)",

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T1 - 17 o solid-state nmr studies of zro 2 nanoparticles

AU - Shen, Li

AU - Wu, Xin Ping

AU - Wang, Yang

AU - Wang, Meng

AU - Chen, Junchao

AU - Li, Yuhong

AU - Huo, Hua

AU - Hou, Wenhua

AU - Ding, Weiping

AU - Gong, Xue Qing

AU - Peng, Luming

N1 - Funding Information: This work was supported by the National Natural Science Foundation of China (NSFC) (91745202, 21573103, and 21825301) and the NSFCRoyal Society Joint Program (21661130149 and 21611130177). The ECUST group also thanks the Programme of Introducing Talents of Discipline to Universities (B16017) and the National Super Computing Centre in Jinan for computing time. L.P. thanks the Royal Society and Newton Fund for Royal Society-Newton Advanced Fellowship. This work was also supported by a Project Funded by the Priority Academic Program Development of Jiangsu Higher Education Institutions. Publisher Copyright: © 2019 American Chemical Society.

PY - 2019/2/21

Y1 - 2019/2/21

N2 - 17 O solid-state NMR spectroscopy was applied to study the structure of monoclinic and tetragonal zirconia nanoparticles with the help of density functional theory calculations for spectral assignments. Although high-temperature 17 O enrichment allows detection of oxygen ions in the "bulk" part of nanoparticles, selective NMR observation of surface oxygen species can be realized using 17 O-labeled water to enrich surface oxygen sites at a relatively low temperature. The high-frequency 17 O NMR resonances arising from low-coordinated oxygen ions on the surface of monoclinic and tetragonal zirconia nanoparticles were observed for the first time. The results are the basis for further understanding of structure-properties relations of zirconia nanomaterials.

AB - 17 O solid-state NMR spectroscopy was applied to study the structure of monoclinic and tetragonal zirconia nanoparticles with the help of density functional theory calculations for spectral assignments. Although high-temperature 17 O enrichment allows detection of oxygen ions in the "bulk" part of nanoparticles, selective NMR observation of surface oxygen species can be realized using 17 O-labeled water to enrich surface oxygen sites at a relatively low temperature. The high-frequency 17 O NMR resonances arising from low-coordinated oxygen ions on the surface of monoclinic and tetragonal zirconia nanoparticles were observed for the first time. The results are the basis for further understanding of structure-properties relations of zirconia nanomaterials.

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