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

doi:10.1021/acs.jpcc.7b05476

CAS OpenIR > 中科院上海应用物理研究所2011-2018年

	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
ISSN	1932-7447
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
DOI	10.1021/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
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.

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