First-principles study for monolayer ice structure on Pt(111) surface

DOI
  • Haruyama Jun
    Institute for Solid State Physics, The University of Tokyo
  • Sugimoto Toshiki
    Department of Materials Molecular Science, Institute for Molecular Science Precursory Research for Embryonic Science and Technology, Japan Science and Technology Agency
  • Sugino Osamu
    Institute for Solid State Physics, The University of Tokyo

Bibliographic Information

Other Title
  • 第一原理計算を用いたPt(111)表面の単層氷構造の研究

Abstract

<p>Understanding and predicting the property of water on several metal surfaces can be a guide for improving the performance of electrochemical devices. A lot of previous studies has been extensively conducted for water molecules on metal surfaces. We aim to understand the behavior of the water orientation structure on metal surfaces by employing first-principles calculations. In the presentation, the structures of monolayer ice on the surface of Pt (111) are investigated, and the most stable structure is compared and discussed for consistency with the experimental results.</p>

Journal

Details 詳細情報について

  • CRID
    1390009018100986368
  • NII Article ID
    130008134009
  • DOI
    10.14886/jvss.2021.0_1cp02
  • ISSN
    24348589
  • Text Lang
    ja
  • Data Source
    • JaLC
    • CiNii Articles
  • Abstract License Flag
    Disallowed

Report a problem

Back to top