文献类型：期刊文献

英文题名：Distinguishing faceted oxide nanocrystals with 17O solid-state NMR spectroscopy

作者：Li, Yuhong[1,2,3];Wu, Xin-Ping[4,5];Jiang, Ningxin[1,2];Lin, Ming[6];Shen, Li[1,2];Sun, Haicheng[1,2];Wang, Yongzheng[1,2];Wang, Meng[1,2];Ke, Xiaokang[1,2];Yu, Zhiwu[7];Gao, Fei[8];Dong, Lin[1,2,8];Guo, Xuefeng[1,2];Hou, Wenhua[1,2];Ding, Weiping[1,2];Gong, Xue-Qing[4,5];Grey, Clare P.[9,10];Peng, Luming[1,2]

机构：[1]Nanjing Univ, Sch Chem & Chem Engn, Minist Educ, Key Lab Mesoscop Chem, Nanjing 210023, Jiangsu, Peoples R China;[2]Nanjing Univ, Sch Chem & Chem Engn, Collaborat Innovat Ctr Chem Life Sci, Nanjing 210023, Jiangsu, Peoples R China;[3]Changshu Inst Technol, Sch Chem & Mat Engn, Jiangsu Lab Adv Funct Mat, Changshu 215500, Jiangsu, Peoples R China;[4]East China Univ Sci & Technol, Ctr Computat Chem, Key Lab Adv Mat, Shanghai 200237, Peoples R China;[5]East China Univ Sci & Technol, Sch Chem & Mol Engn, Res Inst Ind Catalysis, Shanghai 200237, Peoples R China;[6]ASTAR, Inst Mat Res & Engn, 2 Fusionopolis Way,08-03 Innovis, Singapore 138634, Singapore;[7]Chinese Acad Sci, High Field Magnet Lab, Hefei 230031, Anhui, Peoples R China;[8]Nanjing Univ, Ctr Modern Anal, Jiangsu Key Lab Vehicle Emiss Control, Nanjing 210093, Jiangsu, Peoples R China;[9]Univ Cambridge, Dept Chem, Lensfield Rd, Cambridge CB2 1EW, England;[10]SUNY Stony Brook, Dept Chem, Stony Brook, NY 11974 USA

年份：2017

卷号：8

外文期刊名：NATURE COMMUNICATIONS

收录：;WOS:【SCI-EXPANDED(收录号:WOS:000411024900017)】；

基金：This work was supported by the National Basic Research Program of China (2013CB934800), the National Natural Science Foundation of China (NSFC) (21573103, 21421004, 21222302, and 20903056), NSFC-Royal Society Joint Program (21661130149 and 21111130201), Program for New Century Excellent Talents in University (NCET-10-0483), the Fundamental Research Funds for the Central Universities (1124020512), and National Science Fund for Talent Training in Basic Science (J1103310). The ECUST group also thanks the Programme of Introducing Talents of Discipline to Universities (B16017) and National Super Computing Centre in Jinan for computing time. L.P. thanks Royal Society and Newton Fund for Royal Society-Newton Advanced Fellowship. C.P.G. thanks the European Research Council for an 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

摘要：Facet engineering of oxide nanocrystals represents a powerful method for generating diverse properties for practical and innovative applications. Therefore, it is crucial to determine the nature of the exposed facets of oxides in order to develop the facet/morphology-property relationships and rationally design nanostructures with desired properties. Despite the extensive applications of electron microscopy for visualizing the facet structure of nanocrystals, the volumes sampled by such techniques are very small and may not be representative of the whole sample. Here, we develop a convenient O-17 nuclear magnetic resonance (NMR) strategy to distinguish oxide nanocrystals exposing different facets. In combination with density functional theory calculations, we show that the oxygen ions on the exposed (001) and (101) facets of anatase titania nanocrystals have distinct O-17 NMR shifts, which are sensitive to surface reconstruction and the nature of the steps on the surface. The results presented here open up methods for characterizing faceted nanocrystalline oxides and related materials.