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Incident Angle Dependence of Reactions between Graphene and Hydrogen Atom by Molecular Dynamics Simulation
http://hdl.handle.net/10655/2831
http://hdl.handle.net/10655/28317562568f-9672-417c-82c3-be82d4c093a5
Item type | 研究報告書 / Research Paper(1) | |||||
---|---|---|---|---|---|---|
公開日 | 2010-02-05 | |||||
タイトル | ||||||
言語 | en | |||||
タイトル | Incident Angle Dependence of Reactions between Graphene and Hydrogen Atom by Molecular Dynamics Simulation | |||||
言語 | ||||||
言語 | eng | |||||
キーワード | ||||||
言語 | en | |||||
主題Scheme | Other | |||||
主題 | incident angle dependence | |||||
キーワード | ||||||
言語 | en | |||||
主題Scheme | Other | |||||
主題 | molecular dynamics simulation | |||||
キーワード | ||||||
言語 | en | |||||
主題Scheme | Other | |||||
主題 | graphene | |||||
キーワード | ||||||
言語 | en | |||||
主題Scheme | Other | |||||
主題 | hydrogen | |||||
キーワード | ||||||
言語 | en | |||||
主題Scheme | Other | |||||
主題 | carbon | |||||
キーワード | ||||||
言語 | en | |||||
主題Scheme | Other | |||||
主題 | plasma wall interaction | |||||
キーワード | ||||||
言語 | en | |||||
主題Scheme | Other | |||||
主題 | Brenner potential | |||||
キーワード | ||||||
言語 | en | |||||
主題Scheme | Other | |||||
主題 | sputtering | |||||
キーワード | ||||||
言語 | en | |||||
主題Scheme | Other | |||||
主題 | divertor plate. | |||||
資源タイプ | ||||||
資源タイプ識別子 | http://purl.org/coar/resource_type/c_18ws | |||||
資源タイプ | research report | |||||
アクセス権 | ||||||
アクセス権 | metadata only access | |||||
アクセス権URI | http://purl.org/coar/access_right/c_14cb | |||||
著者 |
"Saito, S.
× "Saito, S.× Ito, A.× Nakamura, H." |
|||||
抄録 | ||||||
内容記述タイプ | Abstract | |||||
内容記述 | "Incident angle dependence of reactions between graphene and hydrogen atoms are obtained qualitatively by classical molecular dynamics simulation under the NVE condition with modified Brenner reactive empirical bond order (REBO) potential. Chemical reaction depends on two parameters, i.e., polar angle theta, and azimuthal angle phi of the incident hydrogen. From the simulation results, it is found that the reaction rates strongly depend on polar angle theta. Reflection rate becomes larger with increasing theta, and the theta dependence of adsorption rate is also found. The theta dependence is caused by three dimensional structure of the small potential barrier which covers adsorption sites. phi dependence of penetration rate is also found for large theta." | |||||
書誌情報 |
en : Research Report NIFS-Series 発行日 2010-01-01 |
|||||
報告書番号 | ||||||
NIFS-958 | ||||||
ISSN | ||||||
収録物識別子タイプ | ISSN | |||||
収録物識別子 | 0915-633X |