Activation and adsorption of CO2 on copper surfaces and clusters

Seema Gautam,Keya Dharmvir,Neetu Goel

doi:10.1063/1.4872603

Activation and adsorption of CO2 on copper surfaces and clusters

Seema Gautam, Keya Dharmvir + Show 1 more

https://doi.org/10.1063/1.4872603

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Publication Date: Jan 1, 2014

Citations: 3

Affiliation: Panjab University

#Adsorption Of CO2 #Cu13 Cluster + Show 8 more

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Abstract

The activation and adsorption of CO2 over Cun clusters have been investigated by first principle calculations. Results of these calculations are compared with the previous studies of adsorption of CO2 on Cu (hkl) surfaces [Wang et al. Surface Science 570 (2004) 205–217]. We find that CO2 is preferentially adsorbed over the clusters in comparison with Cu (hkl) surfaces. The Cu13 cluster in particular dissociates the CO2 molecule adsorbed on the one of the caps of the icosahedron into CO and atomic oxygen. This activated configuration can act as a precursor to reactions leading to hydrocarbon fuels from CO2.

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