An Analogous Periodic Law for Strong Anchoring of Polysulfides on Polar Hosts in Lithium Sulfur Batteries: S- or Li-Binding on First-Row Transition-Metal Sulfides?

IMR OpenIR

	An Analogous Periodic Law for Strong Anchoring of Polysulfides on Polar Hosts in Lithium Sulfur Batteries: S- or Li-Binding on First-Row Transition-Metal Sulfides?
	Chen, Xiang; Peng, Hong-Jie; Zhang, Rui; Hou, Ting-Zheng; Huang, Jia-Qj; Li, Bo; Zhang, Qang; Zhang, Q (reprint author), Tsinghua Univ, Dept Chem Engn, Beijing Key Lab Green Chem React Engn & Technol, Beijing 100084, Peoples R China.
	2017-04-01
发表期刊	ACS ENERGY LETTERS
ISSN	2380-8195
卷号	2 期号:4 页码:795-801
摘要	Lithium-sulfur (Li-S) batteries are strongly considered for next-generation energy storage devices. However, severe issues such as the shuttle of polysulfides restrict their practical applications. Exploring the design principle of anchoring poly sulfides physically and chemically through the polar substrate is therefore highly necessary. In this Letter, first-row transition-metal sulfides (TMSs) are selected as the model system to obtain a general principle for the rational design of a sulfur cathode. The strong S binding that is induced by charge transfer between transition-metal atoms in TMS slabs and S atoms in Li2S is confirmed to be of great significance in TMS composite cathodes. An analogous periodic law is proposed, which is also extended to first-row TM oxides. VS has the strongest anchoring effects on Li2S immobilization and a relatively low lithium ion diffusion barrier. The binding energies and Li diffusion properties are considered as the key descriptors for the rational design of sulfur cathodes.; Lithium-sulfur (Li-S) batteries are strongly considered for next-generation energy storage devices. However, severe issues such as the shuttle of polysulfides restrict their practical applications. Exploring the design principle of anchoring poly sulfides physically and chemically through the polar substrate is therefore highly necessary. In this Letter, first-row transition-metal sulfides (TMSs) are selected as the model system to obtain a general principle for the rational design of a sulfur cathode. The strong S binding that is induced by charge transfer between transition-metal atoms in TMS slabs and S atoms in Li2S is confirmed to be of great significance in TMS composite cathodes. An analogous periodic law is proposed, which is also extended to first-row TM oxides. VS has the strongest anchoring effects on Li2S immobilization and a relatively low lithium ion diffusion barrier. The binding energies and Li diffusion properties are considered as the key descriptors for the rational design of sulfur cathodes.
部门归属	[chen, xiang ; peng, hong-jie ; zhang, rui ; hou, ting-zheng ; huang, jia-qj ; zhang, qang] tsinghua univ, dept chem engn, beijing key lab green chem react engn & technol, beijing 100084, peoples r china ; [hou, ting-zheng] univ calif berkeley, dept mat sci & engn, berkeley, ca 94720 usa ; [huang, jia-qj] beijing inst technol, adv res inst multidisciplinary sci, beijing 100081, peoples r china ; [li, bo] chinese acad sci, shenyang natl lab mat sci, inst met res, 72 wenhua rd, shenyang 110016, peoples r china
学科领域	Chemistry, Physical ; Electrochemistry ; Energy & Fuels ; Nanoscience & Nanotechnology ; Materials Science, Multidisciplinary
资助者	National Key Research and Development Program [2016YFA0202500, 2015CB932500]; National Natural Science Foundation of China [21422604, 21276141]; Tsinghua National Laboratory for Information Science and Technology
收录类别	SCI
语种	英语
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/78204
专题	中国科学院金属研究所
通讯作者	Zhang, Q (reprint author), Tsinghua Univ, Dept Chem Engn, Beijing Key Lab Green Chem React Engn & Technol, Beijing 100084, Peoples R China.
推荐引用方式 GB/T 7714	Chen, Xiang,Peng, Hong-Jie,Zhang, Rui,et al. An Analogous Periodic Law for Strong Anchoring of Polysulfides on Polar Hosts in Lithium Sulfur Batteries: S- or Li-Binding on First-Row Transition-Metal Sulfides?[J]. ACS ENERGY LETTERS,2017,2(4):795-801.
APA	Chen, Xiang.,Peng, Hong-Jie.,Zhang, Rui.,Hou, Ting-Zheng.,Huang, Jia-Qj.,...&Zhang, Q .(2017).An Analogous Periodic Law for Strong Anchoring of Polysulfides on Polar Hosts in Lithium Sulfur Batteries: S- or Li-Binding on First-Row Transition-Metal Sulfides?.ACS ENERGY LETTERS,2(4),795-801.
MLA	Chen, Xiang,et al."An Analogous Periodic Law for Strong Anchoring of Polysulfides on Polar Hosts in Lithium Sulfur Batteries: S- or Li-Binding on First-Row Transition-Metal Sulfides?".ACS ENERGY LETTERS 2.4(2017):795-801.