| Halogenation of graphene triggered by heteroatom doping | |
| Olanrele, Samson O.1,2,3; Lian, Zan1,2; Si, Chaowei1,2; Li, Bo1 | |
| Corresponding Author | Li, Bo(boli@imr.ac.cn) |
| 2019-11-18 | |
| Source Publication | RSC ADVANCES
 |
| Volume | 9Issue:64Pages:37507-37511 |
| Abstract | 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. |
| Funding Organization | 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) |
| DOI | 10.1039/c9ra06962c |
| Indexed By | SCI |
| Language | 英语 |
| Funding Project | 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 Research Area | Chemistry |
| WOS Subject | Chemistry, Multidisciplinary |
| WOS ID | WOS:000501620400044 |
| Publisher | ROYAL SOC CHEMISTRY |
| Citation statistics | |
| Document Type | 期刊论文 |
| Identifier | http://ir.imr.ac.cn/handle/321006/136128 |
| Collection | 中国科学院金属研究所 |
| Corresponding Author | Li, Bo |
| Affiliation | 1.Chinese Acad Sci, Shenyang Natl Lab Mat Sci, Inst Met Res, 72 Wenhua Rd, Shenyang 110016, Liaoning, Peoples R China 2.Univ Sci & Technol China, Sch Mat Sci & Engn, Shenyang 110016, Liaoning, Peoples R China 3.Mt Top Univ, Chem Sci Dept, Km 12 Lagos Ibadan Expressway, Ibafo, Ogun State, Nigeria |
| Recommended Citation 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. |
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