文献类型：期刊文献

英文题名：Identification of CO2 adsorption sites on MgO nanosheets by solid-state nuclear magnetic resonance spectroscopy

作者：Du, Jia-Huan[1];Chen, Lu[2];Zhang, Bing[3];Chen, Kuizhi[4];Wang, Meng[5];Wang, Yang[1];Hung, Ivan[4];Gan, Zhehong[4];Wu, Xin-Ping[2];Gong, Xue-Qing[2];Peng, Luming[1]

机构：[1]Nanjing Univ, Sch Chem & Chem Engn, Key Lab Mesoscop Chem, Minist Educ, Nanjing 210023, Peoples R China;[2]East China Univ Sci & Technol, Ctr Computat Chem & Res Inst Ind Catalysis, Key Lab Adv Mat, 130 Meilong Rd, Shanghai 200237, Peoples R China;[3]Lam Res Corp, Fremont, CA 94538 USA;[4]Natl High Magnet Field Lab, 1800 East Paul Dirac Dr, Tallahassee, FL 32310 USA;[5]Peking Univ, Coll Chem & Mol Engn CCME, Beijing 100871, Peoples R China

年份：2022

卷号：13

期号：1

外文期刊名：NATURE COMMUNICATIONS

收录：;WOS:【SCI-EXPANDED(收录号:WOS:000751464000014)】；

基金：This work was supported by the National Natural Science Foundation of China (NSFC) (91745202 and 21972066), NSFC-Royal Society Joint Program (21661130149). L.P. thanks the Royal Society and Newton Fund for a Royal Society-Newton Advanced Fellowship. The ECUST group thanks to the Programme of Introducing Talents of Discipline to Universities (B16017). A portion of this work was performed at the National High Magnetic Field Laboratory, which is supported by the National Science Foundation Cooperative Agreement No. DMR-1644779 and the state of Florida.

语种：英文

摘要：The detailed information on the surface structure and binding sites of oxide nanomaterials is crucial to understand the adsorption and catalytic processes and thus the key to develop better materials for related applications. However, experimental methods to reveal this information remain scarce. Here we show that O-17 solid-state nuclear magnetic resonance (NMR) spectroscopy can be used to identify specific surface sites active for CO2 adsorption on MgO nanosheets. Two 3-coordinated bare surface oxygen sites, resonating at 39 and 42 ppm, are observed, but only the latter is involved in CO2 adsorption. Double resonance NMR and density functional theory (DFT) calculations results prove that the difference between the two species is the close proximity to H, and CO2 does not bind to the oxygen ions with a shorter O center dot center dot center dot H distance of approx. 3.0 angstrom. Extensions of this approach to explore adsorption processes on other oxide materials can be readily envisaged. The characterization of the surface structure and binding sites of materials is crucial for designing advanced materials for adsorption processes. Here, the authors use O-17 solid-state nuclear magnetic resonance spectroscopy to identify specific CO2 adsorption sites on MgO nanosheets.