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Can Ice-Like Structures Form on Non-Ice-Like Substrates? The Example of the K-feldspar Microcline

Pedevilla, P; Cox, SJ; Slater, B; Michaelides, A; (2016) Can Ice-Like Structures Form on Non-Ice-Like Substrates? The Example of the K-feldspar Microcline. Journal Of Physical Chemistry C , 120 (12) pp. 6704-6713. 10.1021/acs.jpcc.6b01155. Green open access

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Abstract

Feldspar minerals are the most common rock formers in Earth’s crust. As such they play an important role in subjects ranging from geology to climate science. An atomistic understanding of the feldspar structure and its interaction with water is therefore desirable, not least because feldspar has been shown to dominate ice nucleation by mineral dusts in Earth’s atmosphere. The complexity of the ice/feldspar interface arising from the numerous chemical motifs expressed on the surface makes it a challenging system. Here we report a comprehensive study of this challenging system with ab initio density functional theory calculations. We show that the distribution of Al atoms, which is crucial for the dissolution kinetics of tectosilicate minerals, differs significantly between the bulk environment and on the surface. Furthermore, we demonstrate that water does not form ice-like overlayers in the contact layer on the most easily cleaved (001) surface of K-feldspar. We do, however, identify contact layer structures of water that induce ice-like ordering in the second overlayer. This suggests that even substrates without an apparent match with the ice structure may still act as excellent ice nucleating agents.

Type: Article
Title: Can Ice-Like Structures Form on Non-Ice-Like Substrates? The Example of the K-feldspar Microcline
Open access status: An open access version is available from UCL Discovery
DOI: 10.1021/acs.jpcc.6b01155
Publisher version: http://dx.doi.org/10.1021/acs.jpcc.6b01155
Language: English
Additional information: Copyright © 2016 American Chemical Society. This document is the Accepted Manuscript version of a Published Work that appeared in final form in Journal Of Physical Chemistry C, copyright © American Chemical Society after peer review and technical editing by the publisher. To access the final edited and published work see http://pubs.acs.org/doi/abs/10.1021/acs.jpcc.6b01155
UCL classification: UCL
UCL > Provost and Vice Provost Offices > UCL BEAMS
UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences
UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences > Dept of Chemistry
UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences > Dept of Physics and Astronomy
URI: https://discovery.ucl.ac.uk/id/eprint/1490981
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