Adsorption and dissociation of oxygen molecules on Si(111)-(7x7) surface
文献类型：期刊论文
| 作者 | Niu, CY ; Wang, JT |
| 刊名 | JOURNAL OF CHEMICAL PHYSICS
 |
| 出版日期 | 2013 |
| 卷号 | 139期号:19 |
| ISSN号 | 0021-9606 |
| 通讯作者 | Niu, CY (reprint author), Chinese Acad Sci, Inst Phys, Beijing Natl Lab Condensed Matter Phys, Beijing 100190, Peoples R China. |
| 中文摘要 | The adsorption and dissociation of O-2 molecules on Si(111)-(7x7) surface have been studied by first-principles calculations. Our results show that all the O-2 molecular species adsorbed on Si(111)(7x7) surface are unstable and dissociate into atomic species with a small energy barrier about 0.1 eV. The single O-2 molecule adsorption tends to form an insx2 or a new metastable insx2* structure on the Si adatom sites and the further coming O-2 molecules adsorb on those structures to produce an ad-insx3 structure. The ad-insx3 structure is indeed highly stable and kinetically limited for diving into the subsurface layer to form the insx3-tri structure by a large barrier of 1.3 eV. Unlike the previous views, we find that all the ad-ins, insx2, and ad-insx3 structures show bright images, while the insx2*, insx3, and insx3-tri structures show dark images. The proposed oxidation pathways and simulated scanning tunneling microscope images account well for the experimental results and resolve the long-standing confusion and issue about the adsorption and reaction of O-2 molecules on Si(111) surface. (C) 2013 AIP Publishing LLC. |
| 资助信息 | NSFC of China [10974230, 11274356]; Ministry of Environmental Protection of China [200909086, 201109037] |
| 语种 | 英语 |
| 公开日期 | 2014-01-16 |
| 源URL | [http://ir.iphy.ac.cn/handle/311004/56762]  |
| 专题 | 物理研究所_物理所公开发表论文_物理所公开发表论文_期刊论文 |
| 推荐引用方式 GB/T 7714 | Niu, CY,Wang, JT. Adsorption and dissociation of oxygen molecules on Si(111)-(7x7) surface[J]. JOURNAL OF CHEMICAL PHYSICS,2013,139(19). |
| APA | Niu, CY,&Wang, JT.(2013).Adsorption and dissociation of oxygen molecules on Si(111)-(7x7) surface.JOURNAL OF CHEMICAL PHYSICS,139(19). |
| MLA | Niu, CY,et al."Adsorption and dissociation of oxygen molecules on Si(111)-(7x7) surface".JOURNAL OF CHEMICAL PHYSICS 139.19(2013). |
入库方式： OAI收割
来源：物理研究所
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