CAS OpenIR  > 中科院上海应用物理研究所2011-2019年
Ordered water monolayer on ionic model substrates studied by molecular dynamics simulations
Shao, SJ; Guo, P; Zhao, L; Wang, CL; wangchunlei@sinap.ac.cn
2014
Source PublicationNUCLEAR SCIENCE AND TECHNIQUES
ISSN1001-8042
Volume25Issue:2
AbstractThe molecular behaviors of interfacial water molecules at the solid/liquid interface are of a fundamental significance in a diverse set of technical and scientific contexts, thus have drawn extensive attentions. On certain surfaces, the water monolayer may exhibit an ordered feature, which may result in the novel wetting phenomenon. In this article, based on the molecular dynamics simulations, we make a detailed structure analysis of the ordered water monolayer on ionic model surface with graphene-like hexagonal lattices under various charges and unit cell sizes. We carefully analyze the water density profiles and potential of mean force, which are the origin of the special hexagonal ordered water structures near the solid surface. The number of hydrogen bonds of the ordered water monolayer near the solid surface is carefully investigated.
KeywordInterfacial Water Biological Water Surfaces Hydration Nanotubes Hydrophilicity Environment Transition
Indexed BySCI
Language英语
WOS IDWOS:000337120700015
Citation statistics
Cited Times:7[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.sinap.ac.cn/handle/331007/14294
Collection中科院上海应用物理研究所2011-2019年
Corresponding Authorwangchunlei@sinap.ac.cn
Recommended Citation
GB/T 7714
Shao, SJ,Guo, P,Zhao, L,et al. Ordered water monolayer on ionic model substrates studied by molecular dynamics simulations[J]. NUCLEAR SCIENCE AND TECHNIQUES,2014,25(2).
APA Shao, SJ,Guo, P,Zhao, L,Wang, CL,&wangchunlei@sinap.ac.cn.(2014).Ordered water monolayer on ionic model substrates studied by molecular dynamics simulations.NUCLEAR SCIENCE AND TECHNIQUES,25(2).
MLA Shao, SJ,et al."Ordered water monolayer on ionic model substrates studied by molecular dynamics simulations".NUCLEAR SCIENCE AND TECHNIQUES 25.2(2014).
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