文献类型：期刊文献

英文题名：17O Solid-State NMR Studies of ZrO2 Nanoparticles

作者：Shen, Li[1,2,3];Wu, Xin-Ping[4,5,6,7];Wang, Yang[1,2];Wang, Meng[1,2];Chen, Junchao[1,2];Li, Yuhong[1,2];Huo, Hua[8];Hou, Wenhua[1,2];Ding, Weiping[1,2];Gong, Xue-Qing[4,5];Peng, Luming[1,2]

机构：[1]Nanjing Univ, Key Lab Mesoscop Chem MOE, Sch Chem & Chem Engn, Nanjing 210093, Jiangsu, Peoples R China;[2]Nanjing Univ, Collaborat Innovat Ctr Chem Life Sci, Sch Chem & Chem Engn, Nanjing 210093, Jiangsu, Peoples R China;[3]Yangzhou Univ, Guangling Coll, Yangzhou 225009, Jiangsu, Peoples R China;[4]East China Univ Sci & Technol, Key Lab Adv Mat, Ctr Computat Chem, 130 Meilong Rd, Shanghai 200237, Peoples R China;[5]East China Univ Sci & Technol, Res Inst Ind Catalysis, 130 Meilong Rd, Shanghai 200237, Peoples R China;[6]Univ Minnesota, Dept Chem, Chem Theory Ctr, 207 Pleasant St SE, Minneapolis, MN 55455 USA;[7]Univ Minnesota, Minnesota Supercomp Inst, Minneapolis, MN 55455 USA;[8]Harbin Inst Technol, Sch Chem Engn & Technol, Harbin 150001, Heilongjiang, Peoples R China

年份：2019

卷号：123

期号：7

起止页码：4158

外文期刊名：JOURNAL OF PHYSICAL CHEMISTRY C

收录：;EI(收录号：20190906567199);WOS:【SCI-EXPANDED(收录号:WOS:000459836900028)】；

基金：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.

语种：英文

外文关键词：Light polarization - Nuclear magnetic resonance spectroscopy - Temperature - Zirconia - Density functional theory - Oxygen

摘要：O-17 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 O-17 enrichment allows detection of oxygen ions in the "bulk" part of nanoparticles, selective NMR observation of surface oxygen species can be realized using O-17-labeled water to enrich surface oxygen sites at a relatively low temperature. The high-frequency O-17 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.