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- Chen, De, et al. Show all 3 Authors
- The Journal of Physical Chemistry C 2016 v.120 no.23 pp. 12452-12462
- carbon; catalysts; catalytic activity; chemical bonding; electron transfer; electrons; platinum; polycyclic aromatic hydrocarbons
- ... Single-atom catalysts, especially with single Pt atoms, exhibit potentially improved catalytic activity as compared to metal clusters and metal surfaces. Here, the atop and bridged bondings of the CO molecule on the Pt/C system are studied. Vibrational frequencies, Mulliken populations, charge transfer, charge density differences, and density of states are examined to determine the influence of th ...