Fig. 7: DFT calculations of Fe-Co DACs, Fe SACs and Co SACs catalysts. | Nature Communications

Fig. 7: DFT calculations of Fe-Co DACs, Fe SACs and Co SACs catalysts.

From: Isolated Fe-Co heteronuclear diatomic sites as efficient bifunctional catalysts for high-performance lithium-sulfur batteries

Fig. 7

a Charge density difference plot of Li2S (Left) and Li2S4 (Right) adsorbed on different materials. b DOS of Li2S4 adsorbed on Fe-Co DACs, Co SACs and Fe SACs systems. c Optimized configurations of Li2S anchored on Fe-Co DACs, Co SACs and Fe SAs-NG. d Gibbs free energy of sulfur reduction process on Fe-Co DACs, Co SACs and Fe SACs.

Back to article page