Theoretical perspective on CO oxidation over small cobalt oxide clusters

R Molavi, R Safaiee, MH Sheikhi, N Hassani - Chemical Physics Letters, 2021 - Elsevier
In this work, CO oxidation on oxidized cobalt oxide clusters, ie, C o O nO 2 (n= 2, 3, 4) and
(Co 3 O 4) nO 2 (n= 1, 2) are studied using density functional theory calculations. CO …

Theoretical perspective on CO oxidation over small cobalt oxide clusters

R Molavi, R Safaiee, MH Sheikhi… - Chemical Physics …, 2021 - ui.adsabs.harvard.edu
In this work, CO oxidation on oxidized cobalt oxide clusters, ie,(CoO nO 2 (n= 2, 3, 4) and
(Co 3 O 4) nO 2 (n= 1, 2) are studied using density functional theory calculations. CO …

Theoretical perspective on CO oxidation over small cobalt oxide clusters

R Molavi, R Safaiee, MH Sheikhi… - Chemical Physics Letters, 2021 - inis.iaea.org
[en] Highlights:• Caron monoxide oxidation on small cobalt oxide clusters is investigated via
ER mechanism.• Cobalt oxide clusters could effectively oxidize CO to form CO 2.• The …