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

[Image: see text] 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 becaus...

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Autores principales: Pedevilla, Philipp, Cox, Stephen J., Slater, Ben, Michaelides, Angelos
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2016
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5127609/
https://www.ncbi.nlm.nih.gov/pubmed/27917255
http://dx.doi.org/10.1021/acs.jpcc.6b01155
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author Pedevilla, Philipp
Cox, Stephen J.
Slater, Ben
Michaelides, Angelos
author_facet Pedevilla, Philipp
Cox, Stephen J.
Slater, Ben
Michaelides, Angelos
author_sort Pedevilla, Philipp
collection PubMed
description [Image: see text] 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.
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spelling pubmed-51276092016-11-30 Can Ice-Like Structures Form on Non-Ice-Like Substrates? The Example of the K-feldspar Microcline Pedevilla, Philipp Cox, Stephen J. Slater, Ben Michaelides, Angelos J Phys Chem C Nanomater Interfaces [Image: see text] 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. American Chemical Society 2016-03-08 2016-03-31 /pmc/articles/PMC5127609/ /pubmed/27917255 http://dx.doi.org/10.1021/acs.jpcc.6b01155 Text en Copyright © 2016 American Chemical Society This is an open access article published under an ACS AuthorChoice License (http://pubs.acs.org/page/policy/authorchoice_termsofuse.html) , which permits copying and redistribution of the article or any adaptations for non-commercial purposes.
spellingShingle Pedevilla, Philipp
Cox, Stephen J.
Slater, Ben
Michaelides, Angelos
Can Ice-Like Structures Form on Non-Ice-Like Substrates? The Example of the K-feldspar Microcline
title Can Ice-Like Structures Form on Non-Ice-Like Substrates? The Example of the K-feldspar Microcline
title_full Can Ice-Like Structures Form on Non-Ice-Like Substrates? The Example of the K-feldspar Microcline
title_fullStr Can Ice-Like Structures Form on Non-Ice-Like Substrates? The Example of the K-feldspar Microcline
title_full_unstemmed Can Ice-Like Structures Form on Non-Ice-Like Substrates? The Example of the K-feldspar Microcline
title_short Can Ice-Like Structures Form on Non-Ice-Like Substrates? The Example of the K-feldspar Microcline
title_sort can ice-like structures form on non-ice-like substrates? the example of the k-feldspar microcline
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5127609/
https://www.ncbi.nlm.nih.gov/pubmed/27917255
http://dx.doi.org/10.1021/acs.jpcc.6b01155
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