Defect-Induced Wetting Behavior on Solid Polar Surfaces with Small Charge Dipole Length

doi:10.1021/acs.jpcc.7b05476

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	Defect-Induced Wetting Behavior on Solid Polar Surfaces with Small Charge Dipole Length
	Liu, YF; Liu, Y; Tu, YS; Wang, CL; Xu, YS
刊名	JOURNAL OF PHYSICAL CHEMISTRY C
	2017
卷号	121 期号:32 页码:17365-17370
关键词	Water Channel Molecular-structure Room-temperature Contact-angle Ordered Water Proteins Hydrophobicity Simulation Interfaces Nanotubes
ISSN号	1932-7447
DOI	10.1021/acs.jpcc.7b05476
文献子类	期刊论文
英文摘要	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.
WOS关键词	WATER CHANNEL ; MOLECULAR-STRUCTURE ; ROOM-TEMPERATURE ; CONTACT-ANGLE ; ORDERED WATER ; PROTEINS ; HYDROPHOBICITY ; SIMULATION ; INTERFACES ; NANOTUBES
语种	英语
WOS记录号	WOS:000408179500038
内容类型	期刊论文
源URL	[http://ir.sinap.ac.cn/handle/331007/28597]
专题	上海应用物理研究所_中科院上海应用物理研究所2011-2017年
推荐引用方式 GB/T 7714	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.