Abstract

The adsorption of CO, NO and SO on cobalt clusters (Co2-7) were investigated using density functional theory. The adsorption energy supports efficient chemisorption of greenhouse gases on the cobalt clusters, with CO and NO forming one to three CoC and CoN bonds, respectively, the first being the most stable. The SO formed bidentate complexes with CoS and CoO bonds in ConSO structures, displaying notably high adsorption energy. The interactions between Con clusters and gas molecules (G) result in weakened bonds of CO, NO, and SO, evident through increased bond lengths, red-shifted frequencies, and lowered local vibrational force constants in ConG complexes. The results with bond weakening and charge transfer from metal to gas molecules suggest strong catalytic potential for small cobalt clusters in activating gas molecules. The current research findings hold significance in the quest for efficient catalytic processes to capture and recycle gaseous pollutants, contributing to a sustainable future.

Full Text
Paper version not known

Talk to us

Join us for a 30 min session where you can share your feedback and ask us any queries you have

Schedule a call

Disclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.