ArticleCommunications chemistry2021
Ab initio thermodynamics reveals the nanocomposite structure of ferrihydrite.
Article in Communications chemistry, 2021. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 4 papers.
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Who cites it
4 citing papers in PubMed, 32 citations in OpenAlex.
- High-Density Iron Nanostructures Grown on Electrospun PVA/Pectin Fibers via Seed-Mediated Strategy for As(V) Remediation.Small methods · 2026Article
- The Mechanism of Mineral Nucleation and Growth in a Mini-Ferritin.Journal of the American Chemical Society · 2025Article
- Quantitative Benchmarking of Catalytic Parameters for Enzyme-Mimetic Ribonucleotide Dephosphorylation by Iron Oxide Minerals.Environmental science & technology · 2025Article
- Tracking Initial Fe(II)-Driven Ferrihydrite Transformations: A Mössbauer Spectroscopy and Isotope Investigation.ACS earth & space chemistry · 2023Article
Corrections and comments
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Authors and funding
3 authors at 1 institution in 1 country.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Ferrihydrite is a poorly crystalline iron oxyhydroxide nanomineral that serves a critical role as the most bioavailable form of ferric iron for living systems. However, its atomic structure and composition remain unclear due in part to ambiguities in interpretation of X-ray scattering results. Prevailing models so far have not considered the prospect that at the level of individual nanoparticles multiple X-ray indistinguishable phases could coexist. Using ab initio thermodynamics we show that ferrihydrite is likely a nanocomposite of distinct structure types whose distribution depends on particle size, temperature, and hydration. Nanoparticles of two contrasting single-phase ferrihydrite models of Michel and Manceau are here shown to be thermodynamically equivalent across a wide range of temperature and pressure conditions despite differences in their structural water content. Higher temperature and water pressure favor the formation of the former, while lower temperature and water pressure favor the latter. For aqueous suspensions at ambient conditions, their coexistence is maximal for particle sizes up to 12 nm. The predictions inform and help resolve different observations in various experiments.
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Registered trials
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