The surface structures of promising cathode {materials|supplies|components} for zinc-air batteries, Mn3O4 and Co3O4, {have been|happen to be|have already been} systematically studied {under|below|beneath} operating {conditions|circumstances|situations} by density functional theory calculations. The {environment|atmosphere} has been taken into account {using|utilizing|making use of|employing|working with|applying} grand-canonical schemes {both|each} for gas-phase and electrochemical {conditions|circumstances|situations}. By analysing the structures appearing {in the|within the|inside the} calculated phase diagrams and Pourbaix diagrams in detail, we derive the {factors|elements|aspects|variables|components|things} underlying their stability {in the|within the|inside the} gas phase and {under|below|beneath} electrochemical {conditions|circumstances|situations}. {Changes|Modifications|Adjustments|Alterations} in charge, oxidation states and spin states {of the|from the|in the|on the|with the|of your} metal cations {on the|around the} surface are discussed and their feasibility as active centers for the oxygen evolution and reduction reaction is {thoroughly|completely} analyzed. Buy4,4′-Dibromo-2,2′-bipyridine 4-Acetoxystyrene Purity PMID:24633055
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