Global Optimization of Adsorbate Covered Supported Cluster Catalysts: The Case of Pt7H10CH3 on α‐Al2O3
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DOI: 10.1002/cctc.201901830
Abstract: Determining structures of supported sub‐nanometer catalytic clusters is important for finding binding sites, active sites, and reaction mechanisms. In realistic conditions, the cluster may be covered with adsorbed reactants and intermediates, which strongly affect the… read more here.
Keywords: global optimization; cluster; adsorbate covered; covered supported ... See more keywords