CO Adsorption and Activation on Supported Cu Nanoclusters
نویسندگان
چکیده
منابع مشابه
Computational study of electronic, spectroscopic and chemical properties of Cun(n=2-8) nanoclusters for CO adsorption
First-principle calculations were carried out to investigate the adsorption of CO over Cun nanoclusters. The structural, spectroscopic and electronic properties like optimized geometries, HOMO (highest occupied molecular orbital) and LUMO (lowest unoccupied molecular orbital) energy levels, binding energy, adsorption energy, vibrational frequency and density of states (DOSs) of the p...
متن کاملComputational study of electronic, spectroscopic and chemical properties of Cun(n=2-8) nanoclusters for CO adsorption
First-principle calculations were carried out to investigate the adsorption of CO over Cun nanoclusters. The structural, spectroscopic and electronic properties like optimized geometries, HOMO (highest occupied molecular orbital) and LUMO (lowest unoccupied molecular orbital) energy levels, binding energy, adsorption energy, vibrational frequency and density of states (DOSs) of the p...
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