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The interfacial-organized monolayer water film (MWF) induced "two-step" aggregation of nanographene: both in stacking and sliding assembly pathways
Lv, Wenping; Wu, Ren'an
刊名NANOSCALE
2013
DOI10.1039/c3nr33447c
5期:7页:2765-2775
收录类别SCI
文章类型Article
WOS标题词Science & Technology ; Physical Sciences ; Technology
类目[WOS]Chemistry, Multidisciplinary ; Nanoscience & Nanotechnology ; Materials Science, Multidisciplinary ; Physics, Applied
研究领域[WOS]Chemistry ; Science & Technology - Other Topics ; Materials Science ; Physics
关键词[WOS]MOLECULAR-DYNAMICS SIMULATIONS ; CARBON NANOTUBES ; LIQUID WATER ; ICE NANOTUBES ; HYDROPHOBIC HYDRATION ; GRAPHENE NANOSHEETS ; GRAPHITE CHANNELS ; THIN-FILMS ; SURFACE ; SHEETS
英文摘要A computational investigation was carried out to understand the aggregation of nanoscale graphene with two typical pathways of stacking assembly and sliding assembly in water. The interfacial-organized monolayer water film (MWF) induced "two-step" aggregation of nanographene in both stacking and sliding assembly pathways was reported for the first time. By means of potential mean forces (PMFs) calculation, no energy barrier was observed during the sliding assembly of two graphene nanosheets, while the PMF profiles could be impacted by the contact forms of nanographene and the MWF within the interplate of two graphene nanosheets. To explore the potential physical basis of the "hindering role" of self-organized interfacial water, the dynamical and structural properties as well as the status of hydrogen bonds (H-bonds) for interfacial water were investigated. We found that the compact, ordered structure and abundant H-bonds of the MWF could be taken as the fundamental aspects of the "hindering role" of interfacial water for the hydrophobic assembly of nanographene. These findings are displaying a potential to further understand the hydrophobic assembly which mostly dominate the behaviors of nanomaterials, proteins etc. in aqueous solutions.
语种英语
WOS记录号WOS:000316120100028
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被引频次:12[WOS]   [WOS记录]     [WOS相关记录]
文献类型期刊论文
条目标识符http://cas-ir.dicp.ac.cn/handle/321008/137831
专题中国科学院大连化学物理研究所
作者单位Chinese Acad Sci, Dalian Inst Chem Phys, Natl Chromatog R&A Ctr, CAS Key Lab Separat Sci Analyt Chem, Dalian 116023, Peoples R China
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Lv, Wenping,Wu, Ren'an. The interfacial-organized monolayer water film (MWF) induced "two-step" aggregation of nanographene: both in stacking and sliding assembly pathways[J]. NANOSCALE,2013,5(7):2765-2775.
APA Lv, Wenping,&Wu, Ren'an.(2013).The interfacial-organized monolayer water film (MWF) induced "two-step" aggregation of nanographene: both in stacking and sliding assembly pathways.NANOSCALE,5(7),2765-2775.
MLA Lv, Wenping,et al."The interfacial-organized monolayer water film (MWF) induced "two-step" aggregation of nanographene: both in stacking and sliding assembly pathways".NANOSCALE 5.7(2013):2765-2775.
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