Theoretical investigation of CO adsorption on TM-doped (MgO)12 (TM = Ni, Pd, Pt) nanotubes
作者： Mingxia Yang , Yonghong Zhang , Shiping Huang , Hui Liu , Peng Wang
DOI: 10.1016/J.APSUSC.2011.09.097
关键词: Bond length 、 Atom 、 Molecular vibration 、 Molecule 、 Reactivity (chemistry) 、 Inorganic chemistry 、 Physical chemistry 、 Chemisorption 、 Adsorption 、 Materials science 、 Density functional theory
摘要: … in 5σ forward-donation and 2π * back-donation mode. … Meanwhile, the dipole moment of CO is 0.135 D in the present work … In this work, the C–O vibrational frequencies in the adsorption …
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