A DFT Study on CO Oxidation over Co3O4

Abatement of Carbon Monoxide over CeO2–CoO x Catalysts: Effect of Preparation Method

“…Among the metal oxides, cobalt oxide (Co 3 O 4 ) is a particularly attractive material for catalyzing oxidation because of the presence of mobile oxygen in the surface [12][13][14][15][16]. The activity of Co 3 O 4 toward oxidation is highly probable because of the relatively low DH of vaporization of O 2 [17,18], and therefore demonstrates the relative weakness of the Co-O bond strength of Co 3 O 4 , which easily releases reactive oxygen species from the lattice.…”

Tuning the Morphology of Metal Oxides for Catalytic Applications

“…There are two types of surface terminations for the {110} facet: type A contains two Co 2+ cations in the tetrahedral sites, two Co 3+ cations in the octahedral sites and four O 2− anions; and type B has two Co 3+ cations in the octahedral sites and four O 2− anions. 64,65 Cobalt hydroxides and hydroxycarbonates usually serve as the precursors in preparing Co 3 O 4 particles, and their size and shape determines the nanostructures of the oxides. When cobalt cation is precipitated in aqueous phase solution, two polymorphs of cobalt hydroxides are usually obtained, ␣-Co(OH) 2 and ␤-Co(OH) 2 .…”

“…149,150 Density functional theory calculations performed on Co 3 O 4 surface for CO oxidation indicated that the CO preferentially interacts with the surface Co 3+ site, which is the only favorable site for CO adsorption whereas the Co 2+ species are almost inert. 65 Therefore, the preferential exposure of {110} planes, which are rich in catalytically active Co 3+ species on the nanorods, led to a higher activity in CO oxidation. In other words, the origin of the morphology-dependent effect is that the Co 3 O 4 nanorods exposed a higher fraction of the reactive {110} planes that were terminated by octahedrally coordinated Co 3+ species.…”

Phase transformation in CeO2–Co3O4 binary oxide under reduction and calcination pretreatments

“…In order to lower the price, considerable attention has been paid to various transition metal oxides and mixed metal oxides. Among these metal oxides, cobaltic oxide (Co 3 O 4 ) is very attractive for the presence of mobile oxygen in Co 3 O 4 [9][10][11]. The high activity of Co 3 O 4 on CO oxidation is likely to be due to the relatively low DH of vaporization of O 2 [12,13].…”

“…This means that increasing the S.A. of Co 3 O 4 mainly due to a weakening in the strength of the Co-O bond and the acceleration of oxygen desorption from Co 3 O 4 . Thus, many researchers have measured the catalytic activity of Co 3 O 4 for CO oxidation [11,14].…”