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    Density Functional Theory plus U Study of Methanol Adsorption and Decomposition on CuO Surfaces with Oxygen Vacancy by Lu Liu, Peng Gong, Guangcai Shao, Pengfei Liu, Junfeng Wang

    Published 2021-12-01
    “…Adsorption on Cu3C sites was more stable than on Cu4C sites, with higher binding energy and shorter Cu-OMeOH and H-OCuO bonds. …”
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