Dynamics of proton collisions with acetylene, ethylene and ethane at 30 eV
文献类型：期刊论文
| 作者 | Gao, Cong-Zhang1,2; Wang, Jing1,2; Zhang, Feng-Shou1,2,3 |
| 刊名 | CHEMICAL PHYSICS
 |
| 出版日期 | 2013-01-02 |
| 卷号 | 410页码:9-18 |
| 关键词 | Time-dependent local density approximation Molecular dynamics Electron capture Reactive channel Ionization cross section |
| ISSN号 | 0301-0104 |
| DOI | 10.1016/j.chemphys.2012.10.007 |
| 英文摘要 | The collision processes, H+ + C2Hm (m = 2,4, 6), are studied at 30 eV by using time-dependent density functional theory combined with molecular dynamics approach. The reaction channel, electronic density evolution, scattering pattern, total ionization cross sections are presented based on three projectile incident orientations. We find that the primary mechanism of target ionization at 30 eV is electron capture, and the bond dilution effect is prevalent in present collisions. The structure of the scattering angle is different in distinct orientations, which is investigated by means of the force which proton is subjected to. The rainbow angle is in reasonable agreement with experimental and other theoretical results. Calculated ionization cross sections increase with increasing C-C bond length except for the orientation parallel to the C-C bond, and the reason is explained by the C-C bond effect. (C) 2012 Elsevier B. V. All rights reserved. |
| WOS关键词 | ELECTRON-NUCLEAR DYNAMICS ; DENSITY-FUNCTIONAL THEORY ; CHARGE-TRANSFER ; METAL-CLUSTERS ; VIBRATIONAL-EXCITATION ; IONIZATION ; SCATTERING ; ENERGY ; MOLECULES ; SYSTEMS |
| 资助项目 | National Basic Research Program of China[2010CB832903] |
| WOS研究方向 | Chemistry ; Physics |
| 语种 | 英语 |
| WOS记录号 | WOS:000313580500002 |
| 出版者 | ELSEVIER SCIENCE BV |
| 源URL | [http://119.78.100.186/handle/113462/57155]  |
| 专题 | 中国科学院近代物理研究所 |
| 通讯作者 | Zhang, Feng-Shou |
| 作者单位 | 1.Beijing Normal Univ, Coll Nucl Sci & Technol, Minist Educ, Key Lab Beam Technol & Mat Modificat, Beijing 100875, Peoples R China 2.Beijing Radiat Ctr, Beijing 100875, Peoples R China 3.Natl Lab Heavy Ion Accelerator Lanzhou, Ctr Theoret Nucl Phys, Lanzhou 730000, Peoples R China |
| 推荐引用方式 GB/T 7714 | Gao, Cong-Zhang,Wang, Jing,Zhang, Feng-Shou. Dynamics of proton collisions with acetylene, ethylene and ethane at 30 eV[J]. CHEMICAL PHYSICS,2013,410:9-18. |
| APA | Gao, Cong-Zhang,Wang, Jing,&Zhang, Feng-Shou.(2013).Dynamics of proton collisions with acetylene, ethylene and ethane at 30 eV.CHEMICAL PHYSICS,410,9-18. |
| MLA | Gao, Cong-Zhang,et al."Dynamics of proton collisions with acetylene, ethylene and ethane at 30 eV".CHEMICAL PHYSICS 410(2013):9-18. |
入库方式： OAI收割
来源：近代物理研究所
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