Water dissociation at the Au/α-Fe2O3(0001) interface
Sign Up to like & getrecommendations! Published in 2018 at "Molecular Catalysis"
DOI: 10.1016/j.mcat.2017.12.011
Abstract: Abstract The dissociative adsorption of water on a model catalyst formed by a Au5 cluster attached to the Fe-terminated (0001) surface of hematite (α-Fe2O3) was investigated within the density functional theory including an on-site Coulomb… read more here.
Keywords: fe2o3 0001; water; dissociation fe2o3; water dissociation ... See more keywords
Adsorption of Surfactants on α-Fe2O3(0001): A Density Functional Theory Study
Sign Up to like & getrecommendations! Published in 2018 at "Journal of Physical Chemistry C"
DOI: 10.1021/acs.jpcc.8b05899
Abstract: From corrosion inhibition to lubrication, a detailed understanding of the interactions between surfactants and iron oxide surfaces is critical for a range of industrial applications. However, there is still limited understanding of this behavior at… read more here.
Keywords: adsorption; density functional; fe2o3 0001; surface ... See more keywords
Enhanced Water Oxidation Activity on Ni, Co-Doped Fe2O3 (0001) Surface
Sign Up to like & getrecommendations! Published in 2017 at "Chinese Journal of Chemical Physics"
DOI: 10.1063/1674-0068/30/cjcp1705090
Abstract: Fe based oxides are considered as a promising catalyst for the oxygen evolution reaction (OER) due to their low cost and high stability. Here, based on density functional theory calculations, the electrocatalytic behaviors of pure… read more here.
Keywords: 0001 surface; fe2o3 0001; surface; doped fe2o3 ... See more keywords
Structural Evolution of α-Fe2O3(0001) Surfaces Under Reduction Conditions Monitored by Infrared Spectroscopy
Sign Up to like & getrecommendations! Published in 2019 at "Frontiers in Chemistry"
DOI: 10.3389/fchem.2019.00451
Abstract: The precise determination of the surface structure of iron oxides (hematite and magnetite) is a vital prerequisite to understand their unique chemical and physical properties under different conditions. Here, the atomic structure evolution of the… read more here.
Keywords: reduction; evolution; fe2o3 0001; surface ... See more keywords