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Halogenation of graphene triggered by heteroatom doping
Olanrele, Samson O.; Lian, Zan; Si, Chaowei; Li, Bo
2019-11-18
Source PublicationRSC ADVANCES
Volume9Issue:64Pages:37507-37511
AbstractHalogenation 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.
Indexed BySCI
Language英语
WOS IDWOS:000501620400044
PublisherROYAL SOC CHEMISTRY
Citation statistics
Document Type期刊论文
Identifierhttp://ir.imr.ac.cn/handle/321006/80620
Collection中国科学院金属研究所
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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