L773:2399 3669
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| Fältnamn | Indikatorer | Metadata |
|---|---|---|
| 000 | 02935naa a2200337 4500 | |
| 001 | oai:DiVA.org:umu-173629 | |
| 003 | SwePub | |
| 008 | 200722s2020 | |||||||||||000 ||eng| | |
| 024 | 7 | a https://urn.kb.se/resolve?urn=urn:nbn:se:umu:diva-1736292 URI |
| 024 | 7 | a https://doi.org/10.1038/s42004-020-0325-y2 DOI |
| 040 | a (SwePub)umu | |
| 041 | a engb eng | |
| 042 | 9 SwePub | |
| 072 | 7 | a ref2 swepub-contenttype |
| 072 | 7 | a art2 swepub-publicationtype |
| 100 | 1 | a Boily, Jean-Francoisu Umeå universitet,Kemiska institutionen4 aut0 (Swepub:umu)jebo0010 |
| 245 | 1 0 | a Direct identification of reaction sites on ferrihydrite |
| 264 | c 2020-06-19 | |
| 264 | 1 | b Nature Publishing Group,c 2020 |
| 338 | a electronic2 rdacarrier | |
| 520 | a Hydroxyl groups are the cornerstone species driving catalytic reactions on mineral nanoparticles of Earth's crust, water, and atmosphere. Here we directly identify populations of these groups on ferrihydrite, a key yet misunderstood iron oxyhydroxide nanomineral in natural sciences. This is achieved by resolving an enigmatic set of vibrational spectroscopic signatures of reactive hydroxo groups and chemisorbed water molecules embedded in specific chemical environments. We assist these findings by exploring a vast array of configurations of computer-generated nanoparticles. We find that these groups are mainly disposed along rows at edges of sheets of iron octahedra. Molecular dynamics of nanoparticles as large as 10 nm show that the most reactive surface hydroxo groups are predominantly free, yet are hydrogen bond acceptors in an intricate network formed with less reactive groups. The resolved vibrational spectroscopic signatures open new possibilities for tracking catalytic reactions on ferrihydrite, directly from the unique viewpoint of its reactive hydroxyl groups. Ferrihydrite nanoparticles have many hydroxyl sites which can react with environmental contaminants and nutrients, but the surface structure of this common mineral is still not fully understood. Here, a combination of vibrational spectroscopy and molecular simulations identify hydroxyl groups exposed along rows at the edges of sheets of iron octahedra. | |
| 650 | 7 | a NATURVETENSKAPx Kemix Teoretisk kemi0 (SwePub)104072 hsv//swe |
| 650 | 7 | a NATURAL SCIENCESx Chemical Sciencesx Theoretical Chemistry0 (SwePub)104072 hsv//eng |
| 700 | 1 | a Song, Xiaowei4 aut |
| 710 | 2 | a Umeå universitetb Kemiska institutionen4 org |
| 773 | 0 | t Communications Chemistryd : Nature Publishing Groupg 3:1q 3:1x 2399-3669 |
| 856 | 4 | u https://doi.org/10.1038/s42004-020-0325-yy Fulltext |
| 856 | 4 | u https://umu.diva-portal.org/smash/get/diva2:1455059/FULLTEXT01.pdfx primaryx Raw objecty fulltext:print |
| 856 | 4 | u https://www.nature.com/articles/s42004-020-0325-y.pdf |
| 856 | 4 8 | u https://urn.kb.se/resolve?urn=urn:nbn:se:umu:diva-173629 |
| 856 | 4 8 | u https://doi.org/10.1038/s42004-020-0325-y |
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