SKM 2023 – wissenschaftliches Programm
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O: Fachverband Oberflächenphysik
O 87: Focus Session: Scanning Probe Microscopy with Quartz Sensors III
O 87.8: Vortrag
Donnerstag, 30. März 2023, 17:15–17:30, TRE Ma
The (2x1) reconstruction of calcite(104) — Jonas Heggemann1, Yashasvi Ranawat2, Ondřej Krejčí2, Adam S. Foster2, and •Philipp Rahe1 — 1Fachbereich Physik, Universität Osnabrück, Barbarastraße 7, 49076 Osnabrück, Germany — 2Department of Applied Physics, Aalto University, Helsinki FI-00076, Finland
Calcite is an abundant material in the Earth's crust, a central constituent of biominerals in living organisms [1], and currently investigated as a capture material for CO2 [2]. Despite intensive studies, however, there is still serious ambiguity regarding the properties of this surface due to conflictive conclusions for the so-called row-pairing [3] and (2x1) reconstruction [4].
Here, we use a combination of non-contact atomic force microcopy (NC-AFM) with CO-functionalized tips at 5K, density functional theory with state-of-the-art dispersion corrections, and NC-AFM image simulations to clarify the microscopic geometry of calcite(104). A (2x1) reconstruction and a glide plane symmetry is consistently found in the NC-AFM data and DFT results. Most importantly, we identify two different adsorption positions for CO molecules within the (2x1) unit cell. These findings are most critical for future studies where processes on calcite(104)-(2x1) are influenced by the surface geometry.
[1] L. Addadi, S. Weiner, Angew. Chem. Int. Ed. Engl. 31, 153 (1992). [2] P. A. E. Pogge von Strandmann, et al., Nat. Commun. 10, 1983 (2019). [3] A. L. Rachlin, et al., Am. Mineral. 77, 904 (1992). [4] S. L. S. Stipp, et al., Geochim. Cosmochim. Acta 58, 3023 (1994).