Berlin 2024 – wissenschaftliches Programm
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O: Fachverband Oberflächenphysik
O 59: Oxide and Insulator Interfaces II
O 59.3: Vortrag
Mittwoch, 20. März 2024, 15:30–15:45, MA 144
How single water molecules adsorb on the calcite(104)-(2x1) surface — Jonas Heggemann1, Yashasvi Ranawat2, Jie Huang2, Adam S. Foster2, and •Philipp Rahe1 — 1Universität Osnabrück, Germany — 2Aalto University, Finland
Calcite, the most stable polymorph of calcium carbonate and one of the most abundant minerals in the earth's crust, is critically involved in fluid-based dissolution-precipitation processes [1]. The hydrated (104) surface has intensively been studied [2], still, it was only very recently established that the pristine calcite(104) surface expresses a (2x1) reconstruction [3] that is lifted by water adsorption [4].
Here, we investigate the adsorption of single water molecules on calcite(104)-(2x1) by a combination of high-resolution atomic force microscopy (AFM) at 5K using CO-functionalised tips, density functional theory (DFT), and AFM image calculations. From DFT, we find two structurally similar but energetically different adsorption geometries. The excellent agreement between experimental and simulated AFM images confirms the presence of these two structures und unravels microscopic details of the water/calcite system. Our study clarifies the interaction of single water molecules with this most important mineral.
[1] A. Putnis, Rev. Min. & Geochem. 70, 87 (2009)
[2] P. Fenter et al., J. Phys. Chem. C 117, 5028 (2013)
[3] J. Heggemann et al., J. Phys. Chem. Lett. 14, 1983 (2023)
[4] J. Heggemann et al., Phys. Chem. Chem. Phys., Adv. Art. (DOI: 10.1039/d3cp01408h), (2023)
Keywords: water; calcite(104); calcium carbonate; atomic force microscopy