scholarly journals Safe and Stable Lithium Metal Batteries Enabled by an Amide-Based Electrolyte

2022 ◽  
Vol 14 (1) ◽  
Author(s):  
Wanbao Wu ◽  
Yiyang Bo ◽  
Deping Li ◽  
Yihong Liang ◽  
Jichuan Zhang ◽  
...  

Highlights A novel amide-based nonflammable electrolyte is proposed. The formation mechanism and solvation chemistry are investigated by molecular dynamics simulations and density functional theory. An inorganic/organic-rich solid electrolyte interphase with an abundance of LiF, Li3N and Li–N–C is in situ formed, leading to spherical lithium deposition. The amide-based electrolyte can enable stable cycling performance at room temperature and 60 ℃. Abstract The formation of lithium dendrites and the safety hazards arising from flammable liquid electrolytes have seriously hindered the development of high-energy-density lithium metal batteries. Herein, an emerging amide-based electrolyte is proposed, containing LiTFSI and butyrolactam in different molar ratios. 1,1,2,2-Tetrafluoroethyl-2,2,3,3-tetrafluoropropylether and fluoroethylene carbonate are introduced into the amide-based electrolyte as counter solvent and additives. The well-designed amide-based electrolyte possesses nonflammability, high ionic conductivity, high thermal stability and electrochemical stability (> 4.7 V). Besides, an inorganic/organic-rich solid electrolyte interphase with an abundance of LiF, Li3N and Li–N–C is in situ formed, leading to spherical lithium deposition. The formation mechanism and solvation chemistry of amide-based electrolyte are further investigated by molecular dynamics simulations and density functional theory. When applied in Li metal batteries with LiFePO4 and LiMn2O4 cathode, the amide-based electrolyte can enable stable cycling performance at room temperature and 60 ℃. This study provides a new insight into the development of amide-based electrolytes for lithium metal batteries.

2020 ◽  
Vol 113 ◽  
pp. 106685
Author(s):  
Hailemariam Kassa Bezabh ◽  
Meng-Che Tsai ◽  
Tesfaye Teka Hagos ◽  
Tamene Tadesse Beyene ◽  
Gebregziabher Brhane Berhe ◽  
...  

Author(s):  
Lijuan Meng ◽  
Jinlian Lu ◽  
Yujie Bai ◽  
Lili Liu ◽  
Tang Jingyi ◽  
...  

Understanding the fundamentals of chemical vapor deposition bilayer graphene growth is crucial for its synthesis. By employing density functional theory calculations and classical molecular dynamics simulations, we have investigated the...


Physchem ◽  
2021 ◽  
Vol 1 (1) ◽  
pp. 26-44
Author(s):  
Chiara Ferrara ◽  
Riccardo Ruffo ◽  
Piercarlo Mustarelli

Extended interphases are playing an increasingly important role in electrochemical energy storage devices and, in particular, in lithium-ion and lithium metal batteries. With this in mind we initially address the differences between the concepts of interface and interphase. After that, we discuss in detail the mechanisms of solid electrolyte interphase (SEI) formation in Li-ion batteries. Then, we analyze the methods for interphase characterization, with emphasis put on in-situ and operando approaches. Finally, we look at the near future by addressing the issues underlying the lithium metal/electrolyte interface, and the emerging role played by the cathode electrolyte interphase when high voltage materials are employed.


Author(s):  
Yang Gao ◽  
Xing Chen ◽  
Shuqi Hu ◽  
Shiguo Zhang

Au-doped SrTiO3 perovskite oxide catalyst (Sr0.995Au0.005TiO3-δ) has been designed and synthesized based on thermodynamic analysis and density functional theory calculations. During reduction, Au nanoparticles with an average diameter of 2...


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