Halogenation of graphene triggered by heteroatom doping
文献类型：期刊论文
| 作者 | Olanrele, Samson O.1,2,3; Lian, Zan1,3; Si, Chaowei1,3; Li, Bo1 |
| 刊名 | RSC ADVANCES
 |
| 出版日期 | 2019-11-18 |
| 卷号 | 9期号:64页码:37507-37511 |
| DOI | 10.1039/c9ra06962c |
| 通讯作者 | Li, Bo(boli@imr.ac.cn) |
| 英文摘要 | Halogenation is one of the most important ways to tailor the properties of graphene. We demonstrate for the first time that boron and nitrogen doping can effectively tune the interactions between halogen diatomic molecules and graphene from first principles calculations. Boron and nitrogen doping disrupt the regular pi-electron pattern and create spin density and orbital polarization. More interesting, nitrogen and boron doping not only significantly increases the binding energies of Cl-2, Br-2, and I-2 but also induces the spontaneous dissociation of F-2. The tunable effects from nitrogen and boron doping can adjust the interactions in a wide range. Overall, it is suggested that doping can be a very promising method for the facile halogenation of graphene. |
| 资助项目 | NSFC[21573255] ; Natural Science Foundation of Liaoning Province[20180510014] ; State Key Laboratory of Catalytic Materials and Reaction Engineering (RIPP, SINOPEC) ; Special Program for Applied Research on Super Computation of the NSFC Guangdong Joint Fund (the second phase)[U1501501] |
| WOS研究方向 | Chemistry |
| 语种 | 英语 |
| WOS记录号 | WOS:000501620400044 |
| 出版者 | ROYAL SOC CHEMISTRY |
| 资助机构 | NSFC ; Natural Science Foundation of Liaoning Province ; State Key Laboratory of Catalytic Materials and Reaction Engineering (RIPP, SINOPEC) ; Special Program for Applied Research on Super Computation of the NSFC Guangdong Joint Fund (the second phase) |
| 源URL | [http://ir.imr.ac.cn/handle/321006/136127]  |
| 专题 | 金属研究所_中国科学院金属研究所 |
| 通讯作者 | Li, Bo |
| 作者单位 | 1.Chinese Acad Sci, Shenyang Natl Lab Mat Sci, Inst Met Res, 72 Wenhua Rd, Shenyang 110016, Liaoning, Peoples R China 2.Mt Top Univ, Chem Sci Dept, Km 12 Lagos Ibadan Expressway, Ibafo, Ogun State, Nigeria 3.Univ Sci & Technol China, Sch Mat Sci & Engn, Shenyang 110016, Liaoning, Peoples R China |
| 推荐引用方式 GB/T 7714 | Olanrele, Samson O.,Lian, Zan,Si, Chaowei,et al. Halogenation of graphene triggered by heteroatom doping[J]. RSC ADVANCES,2019,9(64):37507-37511. |
| APA | Olanrele, Samson O.,Lian, Zan,Si, Chaowei,&Li, Bo.(2019).Halogenation of graphene triggered by heteroatom doping.RSC ADVANCES,9(64),37507-37511. |
| MLA | Olanrele, Samson O.,et al."Halogenation of graphene triggered by heteroatom doping".RSC ADVANCES 9.64(2019):37507-37511. |
入库方式： OAI收割
来源：金属研究所
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