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Formation of Water Layers on Graphene Surfaces
https://uec.repo.nii.ac.jp/records/9038
https://uec.repo.nii.ac.jp/records/9038226c3c4d-ff14-4698-b12f-979c400c3a3e
名前 / ファイル | ライセンス | アクション |
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acsomega.7b00365 (3.3 MB)
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Item type | 学術雑誌論文 / Journal Article(1) | |||||
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公開日 | 2019-04-02 | |||||
タイトル | ||||||
言語 | en | |||||
タイトル | Formation of Water Layers on Graphene Surfaces | |||||
言語 | ||||||
言語 | eng | |||||
資源タイプ | ||||||
資源タイプ識別子 | http://purl.org/coar/resource_type/c_6501 | |||||
資源タイプ | journal article | |||||
著者 |
Akaishi, Akira
× Akaishi, Akira× Yonemaru, Tomohiro× Nakamura, Jun |
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抄録 | ||||||
内容記述タイプ | Abstract | |||||
内容記述 | Although graphitic materials were thought to be hydrophobic, recent experimental results based on contact angle measurements show that the hydrophobicity of graphitic surfaces stems from airborne contamination of hydrocarbons. This leads us to question whether a pristine graphitic surface is indeed hydrophobic. To investigate the water wettability of graphitic surfaces, we use molecular dynamics simulations of water molecules on the surface of a single graphene layer at room temperature. The results indicate that a water droplet spreads over the entire surface and that a double-layer structure of water molecules forms on the surface, which means that wetting of graphitic surfaces is possible, but only by two layers of water molecules. No further water layers can cohere to the double-layer structure, but the formation of three-dimensional clusters of liquid water is confirmed. The surface of the double-layer structure acts as a hydrophobic surface. Such peculiar behavior of water molecules can be reasonably explained by the formation of hydrogen bonds: The hydrogen bonds of the interfacial water molecules form between the first two layers and also within each layer. This hydrogen-bond network is confined within the double layer, which means that no “dangling hydrogen bonds” appear on the surface of the double-layer structure. This formation of hydrogen bonds stabilizes the double-layer structure and makes its surface hydrophobic. Thus, the numerical simulations indicate that a graphene surface is perfectly wettable on the atomic scale and becomes hydrophobic once it is covered by this double layer of water molecules. | |||||
書誌情報 |
en : ACS Omega 巻 2, 号 5, p. 2184-2190, 発行日 2017-05-18 |
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出版者 | ||||||
出版者 | American Chemical Society (ACS) | |||||
ISSN | ||||||
収録物識別子タイプ | ISSN | |||||
収録物識別子 | 2470-1343 | |||||
DOI | ||||||
関連タイプ | isIdenticalTo | |||||
識別子タイプ | DOI | |||||
関連識別子 | 10.1021/acsomega.7b00365 | |||||
権利 | ||||||
権利情報 | © 2017 American Chemical Society. This is an open access article published under an ACS AuthorChoice License, which permits copying and redistribution of the article or any adaptations for non-commercial purposes. | |||||
関連サイト | ||||||
識別子タイプ | DOI | |||||
関連識別子 | https://doi.org/10.1021/acsomega.7b00365 | |||||
著者版フラグ | ||||||
出版タイプ | VoR | |||||
出版タイプResource | http://purl.org/coar/version/c_970fb48d4fbd8a85 |