Nanocomposite structure of two-line ferrihydrite powder from total scattering

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dc.contributor.authorFunnell, Nicholas P.en
dc.contributor.authorFulford, Maxwell F.en
dc.contributor.authorInoue, Sayakoen
dc.contributor.authorKletetschka, Karelen
dc.contributor.authorMichel, F. Marcen
dc.contributor.authorGoodwin, Andrew L.en
dc.contributor.departmentGeosciencesen
dc.date.accessioned2020-05-15T15:02:42Zen
dc.date.available2020-05-15T15:02:42Zen
dc.date.issued2020-02-21en
dc.description.abstractFerrihydrite is one of the most important iron-containing minerals on Earth. Yet determination of its atomic-scale structure has been frustrated by its intrinsically poor crystallinity. The key difficulty is that physically-different models can appear consistent with the same experimental data. Using X-ray total scattering and a nancomposite reverse Monte Carlo approach, we evaluate the two principal contending models-one a multi-phase system without tetrahedral iron(III), and the other a single phase with tetrahedral iron(III). Our methodology is unique in considering explicitly the complex nanocomposite structure the material adopts: namely, crystalline domains embedded in a poorly-ordered matrix. The multi-phase model requires unphysical structural rearrangements to fit the data, whereas the single-phase model accounts for the data straightforwardly. Hence the latter provides the more accurate description of the short- and intermediate-range order of ferrihydrite. We discuss how this approach might allow experiment-driven (in)validation of complex models for important nanostructured phases beyond ferrihydrite. Although a geologically important mineral, the atomic-scale structure of ferrihydrite remains unresolved. Here the authors combine X-ray total scattering and reverse Monto Carlo to evaluate the two principal contending models, explicitly considering the material's complex nanocomposite structure.en
dc.description.notesN.P.F. and A.L.G. thank the E.R.C. (Grants 279705 and 788144) and E.P.S.R.C. (EP/G004528/2). F.M.M. and K.K. acknowledge the funding support provided by the National Science Foundation through EAR-1451996 and CAREER-1652237, as well as the Virginia Tech National Center for Earth and Environmental Nanotechnology Infrastructure (NanoEarth, NSF Cooperative Agreement 1542100). S.I. acknowledges support from the U.S. Department of Energy (DOE), the DOE BES Geosciences through DE-FG02-06ER15786. This research used resources of the Advanced Photon Source, a U.S. DOE Office of Science User Facility operated for the DOE Office of Science by Argonne National Laboratory under Contract No. DE-AC02-06CH11357. TEM facilities were made available through Virginia Tech's Institute for Critical Technology and Applied Science Nanoscale Characterization and Fabrication Laboratory (ICTAS-NCFL). We thank Dr Christoper Winkler (ICTAS-NCFL) for assistance with TEM analysis.en
dc.description.sponsorshipE.R.C.European Research Council (ERC) [279705, 788144]; E.P.S.R.C.Engineering & Physical Sciences Research Council (EPSRC) [EP/G004528/2]; National Science FoundationNational Science Foundation (NSF) [EAR-1451996, CAREER-1652237]; Virginia Tech National Center for Earth and Environmental Nanotechnology Infrastructure (NanoEarth, NSF) [1542100]; U.S. Department of Energy (DOE), the DOE BES GeosciencesUnited States Department of Energy (DOE) [DE-FG02-06ER15786]; DOE Office of ScienceUnited States Department of Energy (DOE) [DE-AC02-06CH11357]en
dc.format.mimetypeapplication/pdfen
dc.identifier.doihttps://doi.org/10.1038/s42004-020-0269-2en
dc.identifier.issn2399-3669en
dc.identifier.issue1en
dc.identifier.other22en
dc.identifier.urihttp://hdl.handle.net/10919/98402en
dc.identifier.volume3en
dc.language.isoenen
dc.rightsCreative Commons Attribution 4.0 Internationalen
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/en
dc.titleNanocomposite structure of two-line ferrihydrite powder from total scatteringen
dc.title.serialCommunications Chemistryen
dc.typeArticle - Refereeden
dc.type.dcmitypeTexten
dc.type.dcmitypeStillImageen

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