Influence of Anion Charge on Li Ion Diffusion in a New Solid-State Electrolyte, Li3LaI6

2019 ◽  
Vol 31 (18) ◽  
pp. 7425-7433 ◽  
Author(s):  
Zhenming Xu ◽  
Xin Chen ◽  
Ke Liu ◽  
Ronghan Chen ◽  
Xiaoqin Zeng ◽  
...  
Keyword(s):  
Solid State ◽  
Ion Diffusion ◽  
Solid State Electrolyte ◽  
Li Ion

A Li2CuPS4 superionic conductor: a new sulfide-based solid-state electrolyte

2019 ◽  
Vol 7 (20) ◽  
pp. 12645-12653 ◽  
Author(s):  
Zhenming Xu ◽  
Ronghan Chen ◽  
Hong Zhu
Keyword(s):  
Solid State ◽  
Superionic Conductor ◽  
Lithium Cation ◽  
Ion Diffusion ◽  
Solid State Electrolyte ◽  
Electronegativity Difference ◽  
Li Ion

The small electronegativity difference between the anion element and non-lithium cation elements makes fast tetrahedral Li ion diffusion in our DFT predicted Li2CuPS4 solid-state electrolyte material.

A solid-state dendrite-free lithium-metal battery with improved electrode interphase and ion conductivity enhanced by a bifunctional solid plasticizer

2019 ◽  
Vol 7 (33) ◽  
pp. 19565-19572 ◽  
Author(s):  
Jun Peng ◽  
Li-Na Wu ◽  
Jin-Xia Lin ◽  
Chen-Guang Shi ◽  
Jing-Jing Fan ◽  
...  
Keyword(s):  
Solid State ◽  
Polymer Electrolyte ◽  
Ion Conductivity ◽  
Lithium Metal ◽  
Ion Diffusion ◽  
Interface Stability ◽  
Li Ion ◽  
Lithium Metal Battery ◽  
Composite Solid

By adding a bifunctional plasticizer (SN) and an inorganic conductor (LAGP) to a PEO matrix, an inorganic–organic composite solid-state polymer electrolyte (SPE) was constructed to enhance Li-ion diffusion and interface stability.

High throughput identification of Li ion diffusion pathways in typical solid state electrolytes and electrode materials by BV-Ewald method

2019 ◽  
Vol 7 (3) ◽  
pp. 1300-1306 ◽  
Author(s):  
Dajun Chen ◽  
Jianshu Jie ◽  
Mouyi Weng ◽  
Shucheng Li ◽  
Dong Chen ◽  
...  
Keyword(s):  
Solid State ◽  
High Throughput ◽  
Electrode Materials ◽  
Ion Diffusion ◽  
Ewald Method ◽  
Li Ion ◽  
Solid State Electrolytes

A new BV-Ewald method was developed to calculate Li-ion diffusion pathways more quickly and correctly.

Lithium ion diffusion mechanism in covalent organic framework based solid state electrolyte

2019 ◽  
Vol 21 (19) ◽  
pp. 9883-9888 ◽  
Author(s):  
Kecheng Zhang ◽  
Bingkai Zhang ◽  
Mouyi Weng ◽  
Jiaxin Zheng ◽  
Shunning Li ◽  
...  
Keyword(s):  
Solid State ◽  
Diffusion Mechanism ◽  
Lithium Ion ◽  
One Dimension ◽  
Ion Diffusion ◽  
Solid State Electrolyte ◽  
Covalent Organic Framework ◽  
System P ◽  
Lithium Ion Diffusion ◽  
Organic Framework

Mechanism of Li-ions diffusion in a one-dimension tunnel of COF-5 and structure of the COF-5@LiClO4@THF system.

scholarly journals High-throughput computational screening for solid-state Li-ion conductors

2020 ◽  
Vol 13 (3) ◽  
pp. 928-948 ◽  
Author(s):  
Leonid Kahle ◽  
Aris Marcolongo ◽  
Nicola Marzari
Keyword(s):  
Solid State ◽  
High Throughput ◽  
Atomistic Simulations ◽  
Solid State Electrolyte ◽  
Computational Screening ◽  
Li Ion ◽  
Li Ion Conductors ◽  
Ion Conductors

Atomistic simulations are employed to screen experimental structural repositories for fast Li-ion conductors, finding new candidate solid-state electrolyte materials.

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