The formation of strong-couple interactions between nitrogen-doped graphene and sulfur/lithium (poly)sulfides in lithium-sulfur batteries

IMR OpenIR

	The formation of strong-couple interactions between nitrogen-doped graphene and sulfur/lithium (poly)sulfides in lithium-sulfur batteries
	Hou, Ting-Zheng; Peng, Hong-Jie; Huang, Jia-Qi; Zhang, Qiang; Li, Bo; zhang-qiang@mails.tsinghua.edu.cn; boli@imr.ac.cn
	2015
发表期刊	2D MATERIALS
ISSN	2053-1583
卷号	2 期号:1 页码:-
摘要	A lithium-sulfur battery with a very high theoretical energy density (2600 Wh kg(-1)) is one of the most promising candidates for next-generation energy storage devices. However, there are still many problems impeding the practical use of lithium-sulfur batteries, including the 'shuttle effect' and irreversible loss of active materials. Enhancing the interfacial interaction between the carbon hosts and the sulfur-containing guests by rational nitrogen doping is an effective route. First principle calculations were performed to illustrate the adsorption behavior between sulfur/lithium (poly) sulfides and pristine/nitrogen-doped graphene nanoribbons with different edge structures. N-dopants on doped graphene nanoribbon in pyrrolic and pyridinic forms donated extra binding energies of 1.12 similar to 1.41 eV and 0.55 similar to 1.07 eV, respectively. Quaternary nitrogen enriched on the edge can benefit from the adsorption of active materials. Compared with pristine graphene nanoribbon, nitrogen-doped graphene nanoribbons exhibited strong-couple interactions for anchoring sulfur-containing species, achieving high stability and reversibility, which was consistent with experimental findings. These results shed light on the cathode design of lithium-sulfur batteries and on the potential to understand host-guest interactions in other energy storage systems.
部门归属	[hou, ting-zheng ; peng, hong-jie ; huang, jia-qi ; zhang, qiang] tsinghua univ, beijing key lab green chem react engn & technol, dept chem engn, beijing 100084, peoples r china ; [li, bo] chinese acad sci, shenyang natl lab mat sci, inst met res, shenyang 110016, peoples r china
关键词	Graphene Lithium-sulfur Batteries Energy Storage Nitrogen Doped Carbon
资助者	National Natural Science Foundation of China [21306103, 21422604]
收录类别	sci
语种	英语
WOS记录号	WOS:000354987200014
引用统计	被引频次：90[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/321006/75195
专题	中国科学院金属研究所
通讯作者	zhang-qiang@mails.tsinghua.edu.cn; boli@imr.ac.cn
推荐引用方式 GB/T 7714	Hou, Ting-Zheng,Peng, Hong-Jie,Huang, Jia-Qi,et al. The formation of strong-couple interactions between nitrogen-doped graphene and sulfur/lithium (poly)sulfides in lithium-sulfur batteries[J]. 2D MATERIALS,2015,2(1):-.
APA	Hou, Ting-Zheng.,Peng, Hong-Jie.,Huang, Jia-Qi.,Zhang, Qiang.,Li, Bo.,...&boli@imr.ac.cn.(2015).The formation of strong-couple interactions between nitrogen-doped graphene and sulfur/lithium (poly)sulfides in lithium-sulfur batteries.2D MATERIALS,2(1),-.
MLA	Hou, Ting-Zheng,et al."The formation of strong-couple interactions between nitrogen-doped graphene and sulfur/lithium (poly)sulfides in lithium-sulfur batteries".2D MATERIALS 2.1(2015):-.