書誌事項
- タイトル別名
-
- A Consideration of Atomic Diffusibility of Metal on Carbon Substrate using Ab Initio Molecular Orbital Calculation.
- タンソケイ キバン エ ノ キンゾク ゲンシ カクサン カテイ ノ ブンシ キドウロンテキ コウサツ
この論文をさがす
説明
In this study, atomic diffusibility of liquid metals on glassy carbon and graphite substrates is investigated by ab initio molecular orbital calculations using AMOSS program. Ethylene-and distorted ethylene-metal adatom models are introduced for the atomic structures of glassy carbon-and graphite-liquid metal systems, respectively, and molecular orbitals and total energy in the most stable state are obtained by the restricted open-shell Hartree-Fock (ROHF) method. Consequently, in the case of ethylene- or distorted ethylene-metal adatom model, corresponding to HOPG- or glassy carbon-liquid metal system in which atomic diffusion occurs, it is revealed that the carbon interatomic bond is weakened by the formation of the occupied orbital due to the hybridization between the metal p- or d-orbital and ethylene antibonding orbital.
収録刊行物
-
- 精密工学会誌
-
精密工学会誌 66 (11), 1776-1780, 2000
公益社団法人 精密工学会
- Tweet
キーワード
詳細情報 詳細情報について
-
- CRID
- 1390282679774619008
-
- NII論文ID
- 110001372820
-
- NII書誌ID
- AN1003250X
-
- ISSN
- 1882675X
- 09120289
-
- NDL書誌ID
- 5551311
-
- 本文言語コード
- ja
-
- データソース種別
-
- JaLC
- NDLサーチ
- Crossref
- CiNii Articles
-
- 抄録ライセンスフラグ
- 使用不可
