Surface sites drive Fe enrichment at reactive olivine interfaces

Ming Geng; Kunfeng Qiu; Jun Deng; Hannes Jónsson

Surface sites drive Fe enrichment at reactive olivine interfaces

Materials Science 2026-04-21 v4 Chemical Physics Geophysics

Authors: Ming Geng , Kunfeng Qiu , Jun Deng , Hannes Jónsson

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.

Cite

@article{arxiv.2007.05851,
  title  = {Surface sites drive Fe enrichment at reactive olivine interfaces},
  author = {Ming Geng and Kunfeng Qiu and Jun Deng and Hannes Jónsson},
  journal= {arXiv preprint arXiv:2007.05851},
  year   = {2026}
}

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