Abstract
Within the framework of the methods of the electron density functional and the ab initio pseudopotential, the spatial distributions of density of valence electrons and the electron energy spectra were obtained for platinum-based films with supplement atoms of the second metal, action of mechanical stress and oxygen atoms. The most critical factors for increase of the catalyst activity during oxidization of methanol are mechanical stress and dissociated oxygen.
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Balabai, R.M., Chernikova, H.N. Platinum–nickel alloy catalysts for fuel elements. Appl. Phys. A 116, 649–655 (2014). https://doi.org/10.1007/s00339-014-8285-7
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DOI: https://doi.org/10.1007/s00339-014-8285-7