論文

査読有り
2016年4月

Molecular Dynamics Simulation of Atomic Force Microscopy at the Water-Muscovite Interface: Hydration Layer Structure and Force Analysis

LANGMUIR
  • Kazuya Kobayashi
  • ,
  • Yunfeng Liang
  • ,
  • Ken-ichi Amano
  • ,
  • Sumihiko Murata
  • ,
  • Toshifumi Matsuoka
  • ,
  • Satoru Takahashi
  • ,
  • Naoya Nishi
  • ,
  • Tetsuo Sakka

32
15
開始ページ
3608
終了ページ
3616
記述言語
英語
掲載種別
研究論文(学術雑誌)
DOI
10.1021/acs.langmuir.5b04277
出版者・発行元
AMER CHEMICAL SOC

With the development of atomic force microscopy (AFM), it is now possible to detect the buried liquid-solid interfacial structure in three dimensions at the atomic scale. One of the model surfaces used for AFM is the muscovite surface because it is atomically flat after cleavage along the basal plane. Although it is considered that force profiles obtained by AFM reflect the interfacial structures (e.g., muscovite surface and water structure), the force profiles are not straightforward because of the lack of a quantitative relationship between the force and the interfacial structure. In the present study, molecular dynamics simulations were performed to investigate the relationship between the muscovite water interfacial structure and the measured AFM force using a capped carbon nanotube (CNT) AFM tip. We provide divided force profiles, where the force contributions from each water layer at the interface are shown. They reveal that the first hydration layer is dominant in the total force from water even after destruction of the layer. Moreover, the lateral structure of the first hydration layer transcribes the muscovite surface structure. It resembles the experimentally resolved surface structure of muscovite in previous AFM studies. The local density profile of water between the tip and the surface provides further insight into the relationship between the water structure and the detected force structure. The detected force structure reflects the basic features of the atomic structure for the local hydration layers. However, details including the peak-peak distance in the force profile (force-distance curve) differ from those in the density profile (density-distance curve) because of disturbance by the tip.

リンク情報
DOI
https://doi.org/10.1021/acs.langmuir.5b04277
Web of Science
https://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=JSTA_CEL&SrcApp=J_Gate_JST&DestLinkType=FullRecord&KeyUT=WOS:000374706700006&DestApp=WOS_CPL
ID情報
  • DOI : 10.1021/acs.langmuir.5b04277
  • ISSN : 0743-7463
  • Web of Science ID : WOS:000374706700006

エクスポート
BibTeX RIS