Journal ArticleDOI
Computational study of lithium nucleation tendency in Li7La3Zr2O12 (LLZO) and rational design of interlayer materials to prevent lithium dendrites
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TLDR
In this paper, density functional theory (DFT) calculations were performed to investigate the ability of the pore surfaces to trap excess electrons, which is essential to Li nucleation tendency, and two interlayer materials were also studied, tetragonal LLZO (t-LLZO) and Li2PO2N (atomic layer deposited LiPON).About:
This article is published in Journal of Power Sources.The article was published on 2018-07-15. It has received 124 citations till now. The article focuses on the topics: Nucleation & Lithium.read more
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Approaching Practically Accessible Solid-State Batteries: Stability Issues Related to Solid Electrolytes and Interfaces
TL;DR: This review presents an overview on the scientific challenges, fundamental mechanisms, and design strategies for solid-state batteries, specifically focusing on the stability issues ofSolid-state electrolytes and the associated interfaces with both cathode and anode electrodes.
Journal ArticleDOI
Ultrathin, flexible, solid polymer composite electrolyte enabled with aligned nanoporous host for lithium batteries.
Jiayu Wan,Jin Xie,Jin Xie,Xian Kong,Zhe Liu,Kai Liu,Feifei Shi,Allen Pei,Hao Chen,Wei Chen,Jun Chen,Xiaokun Zhang,Linqi Zong,Jiangyan Wang,Long Qing Chen,Jian Qin,Yi Cui,Yi Cui +17 more
TL;DR: A nanoporous polyimide film filled with a solid polymer electrolyte has high ionic conductivity and high mechanical strength, and an all-solid-state lithium-ion batteries fabricated with PI/PEO/LiTFSI solid electrolyte show good cycling performance and withstand abuse tests such as bending, cutting and nail penetration.
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Garnet-Type Solid-State Electrolytes: Materials, Interfaces, and Batteries.
Chengwei Wang,Kun Fu,Kun Fu,Sanoop Palakkathodi Kammampata,Dennis W. McOwen,Alfred Junio Samson,Lei Zhang,Gregory T. Hitz,Adelaide M. Nolan,Eric D. Wachsman,Yifei Mo,Venkataraman Thangadurai,Liangbing Hu +12 more
TL;DR: Garnet-type electrolyte has been considered one of the most promising and important solid-state electrolytes for batteries with potential benefits in energy density, electrochemical stability, high temperature stability, and safety, and this Review will survey recent development of garnet- type LLZO electrolytes.
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Physicochemical Concepts of the Lithium Metal Anode in Solid-State Batteries.
TL;DR: This review assesses the physicochemical concepts that describe the fundamental mechanisms governing lithium metal anode performance in combination with inorganic solid electrolytes and discusses kinetic rate limitations and morphological stability to stimulate further progress in the field of lithiumMetal anodes.
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Lithium Dendrite in All-Solid-State Batteries: Growth Mechanisms, Suppression Strategies, and Characterizations
TL;DR: In this article, a systematic and in-depth understanding of the thermodynamic, kinetic, electrochemical, chemomechnical, structural stability, and characterizations of Li dendrite in all-solid-state Li metal batteries is provided.
References
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Journal ArticleDOI
Generalized Gradient Approximation Made Simple
TL;DR: A simple derivation of a simple GGA is presented, in which all parameters (other than those in LSD) are fundamental constants, and only general features of the detailed construction underlying the Perdew-Wang 1991 (PW91) GGA are invoked.
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Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set.
Georg Kresse,Jürgen Furthmüller +1 more
TL;DR: An efficient scheme for calculating the Kohn-Sham ground state of metallic systems using pseudopotentials and a plane-wave basis set is presented and the application of Pulay's DIIS method to the iterative diagonalization of large matrices will be discussed.
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From ultrasoft pseudopotentials to the projector augmented-wave method
Georg Kresse,Daniel P. Joubert +1 more
TL;DR: In this paper, the formal relationship between US Vanderbilt-type pseudopotentials and Blochl's projector augmented wave (PAW) method is derived and the Hamilton operator, the forces, and the stress tensor are derived for this modified PAW functional.
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Special points for brillouin-zone integrations
Hendrik J. Monkhorst,J.D. Pack +1 more
TL;DR: In this article, a method for generating sets of special points in the Brillouin zone which provides an efficient means of integrating periodic functions of the wave vector is given, where the integration can be over the entire zone or over specified portions thereof.