Enhanced adsorption of graphene oxide on iron surface induced by functional groups
Sign Up to like & getrecommendations! Published in 2020 at "Applied Surface Science"
DOI: 10.1016/j.apsusc.2020.146981
Abstract: Abstract Recent experiments have shown that graphene (Gr) and graphene oxide (GO) as coatings can be adsorbed on steel to effectively protect the surface. In this study, the density functional theory calculations have been carried… read more here.
Keywords: adsorption; surface; graphene; iron surface ... See more keywords
Application of TOF-SIMS Method in the Study of Wetting the Iron (111) Surface with Promoter Oxides
Sign Up to like & getrecommendations! Published in 2022 at "Molecules"
DOI: 10.3390/molecules27030648
Abstract: In the present work, a simplified model of the Fe(111) surface’s promoter-oxide system was investigated in order to experimentally verify the previously proposed and known models concerning the structure and chemical composition of the surfaces… read more here.
Keywords: promoter; iron; surface; iron surface ... See more keywords
Unraveling Bonding Mechanisms and Electronic Structure of Pyridine Oximes on Fe(110) Surface: Deeper Insights from DFT, Molecular Dynamics and SCC-DFT Tight Binding Simulations
Sign Up to like & getrecommendations! Published in 2023 at "Molecules"
DOI: 10.3390/molecules28083545
Abstract: The development of corrosion inhibitors with outstanding performance is a never-ending and complex process engaged in by researchers, engineers and practitioners. The computational assessment of organic corrosion inhibitors’ performance is a crucial step towards the… read more here.
Keywords: molecular dynamics; surface; pyridine oximes; tight binding ... See more keywords