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Similarities and Differences for Atomic and Diatomic Molecule Adsorption on the B-5 type sites of the HCP(1016) surfaces of Co, Os, and Ru from DFT Calculation

preprint
submitted on 17.05.2019 and posted on 20.05.2019 by Rees Rankin
DFT study of effects of step-edge type on HCP surfaces for catalysis using Co, Os, and Ru on the adsorption energies of small mono-atomic and di-atomic adsorbates.

Funding

none

History

Email Address of Submitting Author

rb.rankin@villanova.edu

Institution

Department of Chemical Engineering, Villanova University

Country

USA

ORCID For Submitting Author

0000-0003-1674-5149

Declaration of Conflict of Interest

no conflict of interest

Version Notes

initial version as given in submission to Heliyon via article transfer. Submitted early March 2019. In review May 2019

Exports