期刊
ENERGY STORAGE MATERIALS
卷 16, 期 -, 页码 426-433出版社
ELSEVIER
DOI: 10.1016/j.ensm.2018.06.023
关键词
Lithium metal anode; Artificial SEI; Graphitic layer; Inorganic components; First-principles calculation
资金
- National Key Research and Development Program of China [2017YFB0702100]
- National Natural Science Foundation of China [11404017, 51471018]
- Technology Foundation for Selected Overseas Chinese Scholar
- Ministry of Human Resources and Social Security of China
- program for New Century Excellent Talents in University [NCET-12-0033]
- National Thousand Young Talents Program of China
- 111 Project [B17002]
- European Regional Development Fund in the IT4Innovations national super computing center -Path to Exascale project within the Operational Programme Research Development and Education [CZ.02.1.01/0.0/0.0/16_013/0001791]
- Czech Science Foundation [17-23964S]
- Ministry of Education, Youth, and Sport of the Czech Republic [8J18AT004]
- National Key Research and Development Program [2016YFA0202500]
- Natural Scientific Foundation of China [21676160]
- National Key R&D Program of China [2016YFA0202900]
- Natural Science Foundation of China (NSFC) [21676242]
- State Key Laboratory of Chemical Engineering [SKL-ChE-17D01]
Lithium metal batteries (LMBs) have attracted increasing attentions for their ultrahigh specific capacity (3860 mAh g(-1)) and the lowest electrode potential (-3.04 V vs. standard hydrogen electrode). However, the dynamic volume changes, the complex interfacial reactions, and the dendrite growth remain as the grand challenges in LMBs that prevent their practical applications. A bi-layer artificial solid electrolyte interphase (BL-SEI), which is composed of covalent graphitic materials (graphene and h-BN) and inorganic components (LiF, Li2O, Li3N, and Li2CO3), is rationally designed through comprehensive first-principles calculation to render a stable Li metal anode. Key interfacial properties, such as chemical stability, ionic conductivity, and mechanical strength, are systematically investigated to achieve a rational design of the BL-SEI. Among all the considered BL-SEI, the graphene/LiF combination is hopeful to exhibit the best interfacial stability and electrochemical performance. The protective role of BL-SEI for Li metal anode comes from the coupled effects through the anisotropic character and the defective structure. This work reveals the origin of the significant role of BL-SEI for achieving a stable Li metal anode from the atomic and electronic level, affording a paradigm for rational deign of a high-performance artificial SEI in working LMBs.
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