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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
Source Publication2D MATERIALS
ISSN2053-1583
Volume2Issue:1Pages:-
AbstractA 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.
description.department[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
KeywordGraphene Lithium-sulfur Batteries Energy Storage Nitrogen Doped Carbon
Funding OrganizationNational Natural Science Foundation of China [21306103, 21422604]
Indexed Bysci
Language英语
Document Type期刊论文
Identifierhttp://ir.imr.ac.cn/handle/321006/75195
Collection中国科学院金属研究所
Corresponding Authorzhang-qiang@mails.tsinghua.edu.cn; boli@imr.ac.cn
Recommended Citation
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):-.
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