Halogenation of graphene triggered by heteroatom doping

doi:10.1039/c9ra06962c

IMR OpenIR

	Halogenation of graphene triggered by heteroatom doping
	Olanrele, Samson O.1,2,3; Lian, Zan 1,2; Si, Chaowei 1,2; Li, Bo 1
通讯作者	Li, Bo(boli@imr.ac.cn)
	2019-11-18
发表期刊	RSC ADVANCES
卷号	9 期号:64 页码:37507-37511
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.
资助者	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
收录类别	SCI
语种	英语
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
WOS类目	Chemistry, Multidisciplinary
WOS记录号	WOS:000501620400044
出版者	ROYAL SOC CHEMISTRY
引用统计	被引频次：12[WOS] [WOS记录] [WOS相关记录]
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/136128
专题	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.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
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.