Please use this identifier to cite or link to this item: http://hdl.handle.net/10397/76038
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dc.contributor.authorQiu, YFen_US
dc.contributor.authorLiu, Yen_US
dc.contributor.authorTu, YSen_US
dc.contributor.authorWang, CLen_US
dc.contributor.authorXu, YSen_US
dc.date.accessioned2018-05-10T02:55:13Z-
dc.date.available2018-05-10T02:55:13Z-
dc.date.issued2017-
dc.identifier.citationJournal of physical chemistry C, 2017, v. 121, no. 32, p. 17365-17370en_US
dc.identifier.issn1932-7447-
dc.identifier.urihttp://hdl.handle.net/10397/76038-
dc.description.abstractPrevious work showed that solid polar surfaces with a very small :dipole length still might be quite hydrophobic even with large values of charge. Using molecular dynamics simulations, we have found that the presence of the point defects on a: solid polar surface greatly influences the wetting behavior of water, even at a very low defect ratio of 1%. As the defect ratio increases,the coverage of the water layer over the solid :surface also increases. Because,of the breakdown of steric exclusion, the water molecules strongly bind to the solid surface mainly through electrostatic interactions between their hydrogen atoms and the negative charges near the positive-vacaricy defects on the surface, Or between their oxygen atoms and the positive charges near the negative-vacancy defects.en_US
dc.description.sponsorshipDepartment of Mechanical Engineeringen_US
dc.language.isoenen_US
dc.publisherAmerican Chemical Societyen_US
dc.relation.ispartofJournal of physical chemistry Cen_US
dc.titleDefect-induced wetting behavior on solid polar surfaces with small charge dipole lengthen_US
dc.typeJournal/Magazine Articleen_US
dc.identifier.spage17365-
dc.identifier.epage17370-
dc.identifier.volume121-
dc.identifier.issue32-
dc.identifier.doi10.1021/acs.jpcc.7b05476-
dc.identifier.isiWOS:000408179500038-
dc.identifier.eissn1932-7455-
dc.identifier.rosgroupid2017003313-
dc.description.ros2017-2018 > Academic research: refereed > Publication in refereed journal-
dc.description.validate201805 bcrc-
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