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

Jia-Huan Du, Lu Chen, Bing Zhang, Kuizhi Chen, Meng Wang, Yang Wang, Ivan Hung, Zhehong Gan, Xin-Ping Wu, Xue-Qing Gong and Luming Peng ()
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Jia-Huan Du: Nanjing University
Lu Chen: East China University of Science and Technology
Bing Zhang: Lam Research Corporation, Fremont
Kuizhi Chen: National High Magnetic Field Laboratory
Meng Wang: Peking University
Yang Wang: Nanjing University
Ivan Hung: National High Magnetic Field Laboratory
Zhehong Gan: National High Magnetic Field Laboratory
Xin-Ping Wu: East China University of Science and Technology
Xue-Qing Gong: East China University of Science and Technology
Luming Peng: Nanjing University

Nature Communications, 2022, vol. 13, issue 1, 1-6

Abstract: Abstract 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 17O 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···H distance of approx. 3.0 Å. Extensions of this approach to explore adsorption processes on other oxide materials can be readily envisaged.

Date: 2022
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DOI: 10.1038/s41467-022-28405-6

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