{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,9,25]],"date-time":"2026-09-25T18:07:19Z","timestamp":1790359639791,"version":"4.1.0"},"reference-count":105,"publisher":"MDPI AG","issue":"3","license":[{"start":{"date-parts":[[2017,3,21]],"date-time":"2017-03-21T00:00:00Z","timestamp":1490054400000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"funder":[{"name":"Spanish Ministry of Economy and Knowledge (MINECO)","award":["FIS2015-66879-C2-1-P"],"award-info":[{"award-number":["FIS2015-66879-C2-1-P"]}]},{"name":"Spanish Ministry of Economy and Knowledge (MINECO)","award":["FIS2015-66879-C2-2-P"],"award-info":[{"award-number":["FIS2015-66879-C2-2-P"]}]},{"name":"Barcelona Supercomputing Centre","award":["FI-2014-1-0004"],"award-info":[{"award-number":["FI-2014-1-0004"]}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["Entropy"],"abstract":"<jats:p>Water structure and dynamics are affected by the presence of a nearby interface. Here, first we review recent results by molecular dynamics simulations about the effect of different carbon-based materials, including armchair carbon nanotubes and a variety of graphene sheets\u2014flat and with corrugation\u2014on water structure and dynamics. We discuss the calculations of binding energies, hydrogen bond distributions, water\u2019s diffusion coefficients and their relation with surface\u2019s geometries at different thermodynamical conditions. Next, we present new results of the crystallization and dynamics of water in a rigid graphene sieve. In particular, we show that the diffusion of water confined between parallel walls depends on the plate distance in a non-monotonic way and is related to the water structuring, crystallization, re-melting and evaporation for decreasing inter-plate distance. Our results could be relevant in those applications where water is in contact with nanostructured carbon materials at ambient or cryogenic temperatures, as in man-made superhydrophobic materials or filtration membranes, or in techniques that take advantage of hydrated graphene interfaces, as in aqueous electron cryomicroscopy for the analysis of proteins adsorbed on graphene.<\/jats:p>","DOI":"10.3390\/e19030135","type":"journal-article","created":{"date-parts":[[2017,3,21]],"date-time":"2017-03-21T12:22:22Z","timestamp":1490098942000},"page":"135","update-policy":"https:\/\/doi.org\/10.3390\/mdpi_crossmark_policy","source":"Crossref","is-referenced-by-count":21,"title":["Structure and Dynamics of Water at Carbon-Based Interfaces"],"prefix":"10.3390","volume":"19","author":[{"ORCID":"https:\/\/orcid.org\/0000-0002-3721-9634","authenticated-orcid":false,"given":"Jordi","family":"Mart\u00ed","sequence":"first","affiliation":[{"name":"Department of Physics, Technical University of Catalonia\u2014Barcelona Tech, B5-209 Northern Campus, 08034 Barcelona, Spain"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Carles","family":"Calero","sequence":"additional","affiliation":[{"name":"Secci\u00f3 de F\u00edsica Estad\u00edstica i Interdisciplin\u00e0ria, Departament de F\u00edsica de la Mat\u00e8ria Condensada, Facultat de F\u00edsica, Universitat de Barcelona, Mart\u00ed i Franqu\u00e8s 1, 08028 Barcelona, Spain"},{"name":"Institute of Nanoscience and Nanotechnology (IN2UB), Universitat de Barcelona, Av. Joan XXIII S\/N, 08028 Barcelona, Spain"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-3006-2766","authenticated-orcid":false,"given":"Giancarlo","family":"Franzese","sequence":"additional","affiliation":[{"name":"Secci\u00f3 de F\u00edsica Estad\u00edstica i Interdisciplin\u00e0ria, Departament de F\u00edsica de la Mat\u00e8ria Condensada, Facultat de F\u00edsica, Universitat de Barcelona, Mart\u00ed i Franqu\u00e8s 1, 08028 Barcelona, Spain"},{"name":"Institute of Nanoscience and Nanotechnology (IN2UB), Universitat de Barcelona, Av. Joan XXIII S\/N, 08028 Barcelona, Spain"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"1968","published-online":{"date-parts":[[2017,3,21]]},"reference":[{"key":"ref_1","unstructured":"Gileadi, E., Kirowa-Eisner, E., and Penciner, J. (1975). 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