Rational design of graphitic-inorganic Bi-layer artificial SEI for stable lithium metal anode
Rational design of graphitic-inorganic Bi-layer artificial SEI for stable lithium metal anode
复制标题
稳定锂金属负极石墨-无机双层人工SEI的合理设计
DOI：
10.1016/j.ensm.2018.06.023
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发表时间：
2019
影响因子：
20.4
通讯作者：
Zhang Q. F.
中科院分区：
文献类型：
--
作者：
Zhu J. G.;Li P. K.;Chen X.;Legut D.;Fan Y. C.;Zhang R. F.;Lu Y. Y.;Cheng X. B.;Zhang Q. F.
锂金属电池（LMB）因其超高的比容量（3860mAhg−1）和最低的电极电位（−3.04Vvs.标准氢电极）而受到越来越多的关注。然而，动态体积变化、复杂的界面反应和枝晶生长仍然是 LMB 的巨大挑战，阻碍了其实际应用。通过综合第一性原理计算，合理设计由共价石墨材料（石墨烯和h-BN）和无机成分（LiF、Li2O、Li3N和Li2CO3）组成的双层人工固体电解质中间相（BL-SEI），以形成稳定的锂金属负极。系统地研究了化学稳定性、离子电导率和机械强度等关键界面特性，以实现 BL-SEI 的合理设计。在所有考虑的 BL-SEI 中，石墨烯/LiF 组合有望表现出最佳的界面稳定性和电化学性能。 BL-SEI对锂金属负极的保护作用来自于各向异性特征和缺陷结构的耦合作用。这项工作揭示了 BL-SEI 在原子和电子水平上实现稳定的锂金属负极的重要作用的起源，为工作 LMB 中高性能人工 SEI 的合理设计提供了范例。
Lithium metal batteries (LMBs) have attracted increasing attentions for their ultrahigh specific capacity (3860 mAh g−1) and the lowest electrode potential (−3.04 Vvs.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 andh-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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影响因子：
17.1
作者：
Kozen, Alexander C.;Lin, Chuan-Fu;Noked, Malachi
通讯作者：
Noked, Malachi
基于氮化物材料化学的策略来稳定LI金属阳极。
DOI：
10.1002/advs.201600517
发表时间：
2017-08
期刊：
Advanced science (Weinheim, Baden-Wurttemberg, Germany)
影响因子：
--
作者：
Zhu Y;He X;Mo Y
通讯作者：
Mo Y
影响因子：
9.2
作者：
M. Sheng;M. Mangold;A. Kienle;A. Kienle
通讯作者：
M. Sheng;M. Mangold;A. Kienle;A. Kienle
影响因子：
19
作者：
Xue‐Qiang Zhang;Xin‐Bing Cheng;Xiang Chen;Chong Yan;Qiang Zhang
通讯作者：
Xue‐Qiang Zhang;Xin‐Bing Cheng;Xiang Chen;Chong Yan;Qiang Zhang
影响因子：
20.4
作者：
Cheng, Xin-Bing;Yan, Chong;Zhang, Qiang
通讯作者：
Zhang, Qiang