First-principles study for monolayer ice structure on Pt(111) surface
-
- 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
-
- Abstract book of Annual Meeting of the Japan Society of Vacuum and Surface Science
-
Abstract book of Annual Meeting of the Japan Society of Vacuum and Surface Science 2021 (0), 1Cp02-, 2021
The Japan Society of Vacuum and Surface Science
- Tweet
Details 詳細情報について
-
- CRID
- 1390009018100986368
-
- NII Article ID
- 130008134009
-
- ISSN
- 24348589
-
- Text Lang
- ja
-
- Data Source
-
- JaLC
- CiNii Articles
-
- Abstract License Flag
- Disallowed