Kikugawa Group, Institute of Fluid Science, Tohoku University

Molecular Composite Flow Laboratory

Interface Characteristics and Transport Properties of Self-Assembled Monolayer (SAM) and Organic Molecular Films


分子動力学(MD)シミュレーションによって計算された自己組織化単分子膜(self-assembled monolayer, SAM)のスナップショット(オレンジの金基盤とグリーンの溶媒にはさまれた1分子層がSAM)

Novel surface modification techniques at the molecular level such as the self-assembled monolayer (SAM) have drawn attention as techniques to control the physical and chemical properties on solid surfaces. In particular, the bottom-up processes, i.e., surface modification by utilizing the self-assembling of organic molecules or spontaneous structure formation in organic thin films have future possibilities due to their flexibility and adaptability. Structure formation, interface affinity, and heat and mass transport characteristics of organic molecular films have a critical importance in the engineering and industry. Therefore, we investigate the underlying microscopic mechanisms of these significant characteristics.

アルカンチオールSAM内部の構造がよくわかる3D可視化動画(平行法で立体視できる)

Related publications

  • Shih-Wei Hung, Gota Kikugawa, Junichiro Shiomi, Mechanism of temperature dependent thermal transport across the interface between self-assembled monolayer and water, Journal of Physical Chemistry C, Vol. 120 (2016), pp. 26678–26685. doi:10.1021/acs.jpcc.6b09516
  • Gota Kikugawa, Taku Ohara, Tohru Kawaguchi, Ikuya Kinefuchi, and Yoichiro Matsumoto, A molecular dynamics study on heat conduction characteristics inside the alkanethiolate SAM and alkane liquid, International Journal of Heat and Mass Transfer, Vol. 78 (2014), pp. 630–635. doi:10.1016/j.ijheatmasstransfer.2014.07.040
  • Gota Kikugawa, Taku Ohara, Tohru Kawaguchi, Ikuya Kinefuchi, and Yoichiro Matsumoto, A Molecular Dynamics Study on Heat Transfer Characteristics Over the Interface of Self-Assembled Monolayer and Water Solvent, ASME Journal of Heat Transfer, Vol. 136 (2014), 102401doi:10.1115/1.4027910
  • 川口 暢菊川 豪太杵淵 郁也八束 真一小原 拓松本 洋一郎, 非平衡分子動力学法を用いた親水性末端基を有する自己組織化膜と水の界面熱抵抗の解析, 日本機械学会論文集C, 76, 768 (2010), pp. 1936-1938, (in Japanese). weblink to CINII
  • 菊川豪太, 小原拓, 川口暢, 鳥越栄一, 萩原康正, 松本洋一郎, SAM–溶媒界面の界面熱抵抗に関する分子動力学的研究, 日本機械学会論文集B, 75巻, 第749 (2009), pp.146-154, (in Japanese). weblink to CINII
  • Gota Kikugawa, Taku Ohara, Toru Kawaguchi, Eiichi Torigoe, Yasumasa Hagiwara, Yoichiro Matsumoto, A molecular dynamics study on heat transfer characteristics at the interfaces of alkanethiolate self-assembled monolayer and organic solvent, Journal of Chemical Physics, Vol.130 (2009), 074706. doi:10.1063/1.3077315