STRUCTURE OF THE FLUORAPATITE (100)-WATER INTERFACE BY HIGH-RESOLUTION X-RAY REFLECTIVITY
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dc.contributor.author | Park C. | |
dc.contributor.author | Fenter P. | |
dc.contributor.author | Zhang Z. | |
dc.contributor.author | Cheng L. | |
dc.contributor.author | Sturchio N.C. | |
dc.date.accessioned | 2022-04-17T09:21:25Z | |
dc.date.available | 2022-04-17T09:21:25Z | |
dc.date.issued | 2004 | |
dc.identifier | https://www.elibrary.ru/item.asp?id=14394245 | |
dc.identifier.citation | American Mineralogist, 2004, 89, 11-12, 1647-1654 | |
dc.identifier.issn | 0003-004X | |
dc.identifier.uri | https://repository.geologyscience.ru/handle/123456789/37159 | |
dc.description.abstract | A complete understanding of the surface chemistry of the apatite-water system requires direct observation of the interfacial structure at the molecular scale. We report results for the structure of the apatite (100)-water interface obtained with high-resolution specular X-ray reflectivity from a natural growth surface of Durango fluorapatite. A uniform termination at the crystallographic unit-cell boundary was determined. An atomistic model of the interfacial structure is compared to the experimental results and optimized through non-linear least-squares fitting in which the structural parameters were selected to be both physically and chemically plausible. The best-fit structure includes a Ca- and/or F-deficient outermost surface, minimal structural relaxations of the near-surface apatite crystal, and the presence of a layered interfacial water structure exhibiting two distinct water layers. The height of the first water layer is 2.64(9) Å relative to the relaxed surface with 3.5(1.3) water molecules per surface unit-cell area (64.9 Å2). A second layer of adsorbed water is found 1.53(5) Å above the first layer, followed by a nearly featureless profile of the bulk liquid water. The layered structure of water is interpreted as being due to hydrogen bonding at the solid-water interface. The interfacial structure shows a strong similarity with the octacalcium phosphate structure projected along a surface normal direction. | |
dc.subject | apatite | |
dc.title | STRUCTURE OF THE FLUORAPATITE (100)-WATER INTERFACE BY HIGH-RESOLUTION X-RAY REFLECTIVITY | |
dc.type | Статья |
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