The Effect of Cu Impurity on the CO-dissociation Mechanism on the Fe (100) Surface: A Full Potential DFT Study
Sign Up to like & getrecommendations! Published in 2017 at "Physical Chemistry Research"
DOI: 10.22036/pcr.2017.90235.1392
Abstract: In this study, the theoretical calculations of CO dissociation were carried out on Cu-Fe alloy surface by a full-potential method, which made more accurate results especially on the prediction of adsorption energies. This process may… read more here.
Keywords: dissociation; surface; effect; full potential ... See more keywords