Water-COOH Composite Structure with Enhanced Hydrophobicity Formed by Water Molecules Embedded into Carboxyl-Terminated Self-Assembled Monolayers
Guo, P; Tu, YS; Yang, JR; Wang, CL; Sheng, N; Fang, HP; Guo, P (reprint author), Chinese Acad Sci, Shanghai Inst Appl Phys, Div Interfacial Water, Shanghai 201800, Peoples R China.
2015
发表期刊PHYSICAL REVIEW LETTERS
ISSN0031-9007
卷号115期号:18页码:
文章类型期刊文献
摘要By combining molecular dynamics simulations and quantum mechanics calculations, we show the formation of a composite structure composed of embedded water molecules and the COOH matrix on carboxyl-terminated self-assembled monolayers (COOH SAMs) with appropriate packing densities. This composite structure with an integrated hydrogen bond network inside reduces the hydrogen bonds with the water above. This explains the seeming contradiction on the stability of the surface water on COOH SAMs observed in experiments. The existence of the composite structure at appropriate packing densities results in the two-step distribution of contact angles of water droplets on COOH SAMs, around 0 degrees and 35 degrees, which compares favorably to the experimental measurements of contact angles collected from forty research articles over the past 25 years. These findings provide a molecular-level understanding of water on surfaces (including surfaces on biomolecules) with hydrophilic functional groups.
关键词Chemical Force Microscopy Organic-surfaces Dynamics Simulations Protein Adsorption Quantum-mechanics Silicon Surfaces Acid Monolayers Cell-adhesion Gold Surfaces Liquid Water
语种英语
WOS记录号WOS:000363507300005
引用统计
文献类型期刊论文
条目标识符http://ir.sinap.ac.cn/handle/331007/25097
专题中科院上海应用物理研究所2011-2018年
通讯作者Guo, P (reprint author), Chinese Acad Sci, Shanghai Inst Appl Phys, Div Interfacial Water, Shanghai 201800, Peoples R China.
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GB/T 7714
Guo, P,Tu, YS,Yang, JR,et al. Water-COOH Composite Structure with Enhanced Hydrophobicity Formed by Water Molecules Embedded into Carboxyl-Terminated Self-Assembled Monolayers[J]. PHYSICAL REVIEW LETTERS,2015,115(18):—.
APA Guo, P.,Tu, YS.,Yang, JR.,Wang, CL.,Sheng, N.,...&Guo, P .(2015).Water-COOH Composite Structure with Enhanced Hydrophobicity Formed by Water Molecules Embedded into Carboxyl-Terminated Self-Assembled Monolayers.PHYSICAL REVIEW LETTERS,115(18),—.
MLA Guo, P,et al."Water-COOH Composite Structure with Enhanced Hydrophobicity Formed by Water Molecules Embedded into Carboxyl-Terminated Self-Assembled Monolayers".PHYSICAL REVIEW LETTERS 115.18(2015):—.
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