Download all files (3.39MB)

コレクション

引用

説明:

Structures of metal nanoparticles in vacuum and on oxide supports were predicted by combining first-principles calculations with the Wulff theorem and its Winterbottom construction. For nanoparticles in vacuum, (111) and (100) facets were exposed for small nanoparticles, and high index facets emerged as the size increased, correlating with facet stability relative to (111). For supported nanoparticles, interface energies reduce the distance from the particle center to the interface compared with vacuum nanoparticles, leading to an expansion of the surface area of the stable interface facet. These results enable realistic morphology prediction of supported nanoparticles within a first-principles Wulff–Winterbottom framework.

権利情報:

• Creative Commons BY-NC Attribution-NonCommercial 4.0 International
  

キーワード: Metal nanoparticles, First-principles calculation, Wulff construction, Winterbottom construction, Surface energy

刊行年月日: 2026-07-02

出版者: Elsevier BV

掲載誌:

• Chemical Physics Letters (ISSN: 00092614) vol. 897 142957

研究助成金:

• Japan Science and Technology Agency
• Institute for Molecular Science
• GteXProgram Japan JPMJGX23H0 (AN is supported by GteXProgram Japan Grant Number JPMJGX23H0.)

原稿種別: 出版者版 (Version of record)

MDR DOI:

公開URL: https://doi.org/10.1016/j.cplett.2026.142957

関連資料:

その他の識別子:

連絡先:

更新時刻: 2026-07-09 08:30:12 +0900

MDRでの公開時刻: 2026-07-08 18:24:57 +0900