A molecular dynamics study for dissociation of H 2 molecule on Pt(111) surface

研究成果: Conference contribution

抄録

The dissociation phenomena of H 2 molecule on Pt(111) surface was simulated by Molecular Dynamics (MD) method and the effect of motion of the gas molecule or surface atoms on dissociation phenomena was analyzed in detail. The Embedded Atom Method (EAM) was used to model the interaction between an H 2 molecule and Pt(111) surface. Using this potential, simulations of an H 2 molecule impinging on a Pt(111) surface were performed and the characteristics of the collision were observed. Using MD data the dynamic dissociation probability were obtained and compared with the static dissociation probability to analyze the effect of atomic motion on dissociation phenomena.

本文言語English
ホスト出版物のタイトルManagement, Manufacturing and Materials Engineering
ページ1144-1148
ページ数5
DOI
出版ステータスPublished - 2012
イベント2011 International Conference on Management, Manufacturing and Materials Engineering, ICMMM 2011 - Zhengzhou, China
継続期間: 2011 12 82011 12 10

出版物シリーズ

名前Advanced Materials Research
452-453
ISSN(印刷版)1022-6680

Other

Other2011 International Conference on Management, Manufacturing and Materials Engineering, ICMMM 2011
CountryChina
CityZhengzhou
Period11/12/811/12/10

ASJC Scopus subject areas

  • Engineering(all)

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