Theoretical Calculation Guided Design of Single-Atom Catalysts toward Fast Kinetic and Long-Life Li–S Batteries
Tsinghua–Berkeley Shenzhen Institute · Stanford University · +7 more institutions
Abstract
Lithium–sulfur (Li–S) batteries are promising next-generation energy storage technologies due to their high theoretical energy density, environmental friendliness, and low cost. However, low conductivity of sulfur species, dissolution of polysulfides, poor conversion from sulfur reduction, and lithium sulfide (Li2S) oxidation reactions during discharge–charge processes hinder their practical applications. Herein, under the guidance of density functional theory calculations, we have successfully synthesized large-scale single atom vanadium catalysts seeded on graphene to achieve high sulfur content (80 wt % sulfur), fast kinetic (a capacity of 645 mAh g–1 at 3 C rate), and long-life Li–S batteries. Both forward…
Citation impact
- FWCI
- 33.90
- Percentile
- 100%
- References
- 38
Authors
14Topics & keywords
- Kinetic energy
- Catalysis
- Atom (system on chip)
- Materials science
- Nanotechnology
- Physical chemistry
- Chemistry
- Atomic physics