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Three-dimensional structure of the calcite-water interface by surface X-ray scattering |
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| Authors: | P. Geissbü hler,P. Fenter,E. DiMasi,L.B. Sorensen |
| Affiliation: | a Department of Physics, University of Washington, Seattle, WA 98195, United States b Environmental Research Division, Argonne National Laboratory, ER-23, 9700 South Cass Avenue, Argonne, IL 60439, United States c Physics Division, Brookhaven National Laboratory, Upton, NY 11973, United States d Advanced Photon Source, Argonne National Laboratory, Argonne, IL 60439, United States e Department of Earth and Environmental Sciences, University of Illinois at Chicago, Chicago, IL 60607, United States |
| Abstract: | The three-dimensional structure of the calcite (104)-water interface has been determined with surface X-ray scattering. Nine crystal truncation rods (including specular and non-specular rods) were measured providing both vertical and lateral sensitivity to the interfacial structure. The results reveal that calcite is nearly ideally terminated with a single surface hydration layer that includes two inequivalent water molecules having distinct heights of 2.3 ± 0.1 and 3.5 ± 0.2 Å, each with a well-defined lateral registry with respect to the calcite surface. No additional layering of water is observed beyond this surface hydration layer. Small displacements in the outer two calcium carbonate layers were also observed. These results are compared with previous experimental and computational results. |
| Keywords: | X-ray scattering, diffraction, and reflection Surface structure, morphology, roughness, and topography Water Solid-liquid interfaces |
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