Surface sites drive Fe enrichment at reactive olivine interfaces
arXiv:2007.05851
Abstract
Calculations based on density functional theory and statistical mechanics reveal how Fe site preference in olivine is altered at interfaces. Although the M1 site is favoured in bulk olivine, surface metal sites provide greater stabilisation for high-spin Fe2+. This enrichment accounts for the enhanced reactivity of olivine interfaces towards dissolution, carbonation and catalysis.
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