Abstract
Ab initio calculations have been employed to elucidate the habit and surface reactivity of iron carbonate crystals, which are a major component of corrosion scales formed in sweet solutions. The habit is environment dependent, varying from rhombohedral to micro-facetted cylinders with trigonal pyramidal caps as a function of iron activity. Consistent with modelling, the cap facets are shown to be (104) surfaces through a combination of EBSD and confocal microscopy. Furthermore, it is concluded that reactivity is facet dependent, with the (104) surface being relatively inert. These observations have the potential to initiate new approaches to corrosion control and prediction.
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