Defect-Induced Wetting Behavior on Solid Polar Surfaces with Small Charge Dipole Length
Liu, YF; Liu, Y; Tu, YS; Wang, CL; Xu, YS
2017
发表期刊JOURNAL OF PHYSICAL CHEMISTRY C
ISSN1932-7447
卷号121期号:32页码:17365-17370
文章类型期刊论文
摘要Previous 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.
关键词Water Channel Molecular-structure Room-temperature Contact-angle Ordered Water Proteins Hydrophobicity Simulation Interfaces Nanotubes
DOI10.1021/acs.jpcc.7b05476
关键词[WOS]WATER CHANNEL ; MOLECULAR-STRUCTURE ; ROOM-TEMPERATURE ; CONTACT-ANGLE ; ORDERED WATER ; PROTEINS ; HYDROPHOBICITY ; SIMULATION ; INTERFACES ; NANOTUBES
收录类别SCI
语种英语
WOS记录号WOS:000408179500038
引用统计
文献类型期刊论文
条目标识符http://ir.sinap.ac.cn/handle/331007/28597
专题中科院上海应用物理研究所2011-2018年
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Liu, YF,Liu, Y,Tu, YS,et al. Defect-Induced Wetting Behavior on Solid Polar Surfaces with Small Charge Dipole Length[J]. JOURNAL OF PHYSICAL CHEMISTRY C,2017,121(32):17365-17370.
APA Liu, YF,Liu, Y,Tu, YS,Wang, CL,&Xu, YS.(2017).Defect-Induced Wetting Behavior on Solid Polar Surfaces with Small Charge Dipole Length.JOURNAL OF PHYSICAL CHEMISTRY C,121(32),17365-17370.
MLA Liu, YF,et al."Defect-Induced Wetting Behavior on Solid Polar Surfaces with Small Charge Dipole Length".JOURNAL OF PHYSICAL CHEMISTRY C 121.32(2017):17365-17370.
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