Metallic C₅N monolayer as an efficient catalyst for accelerating redox kinetics of sulfur in lithium–sulfur batteries

Abstract

Lithium sulfur battery is one of the most promising applicants for the next generation of energy storage devices whose commercial applications are impeded by the key issue of shuttle effect....

Decoration of defective graphene with MoS2enabling enhanced anchoring and catalytic conversion of polysulfides for lithium–sulfur batteries: a first-principles study

“…6(a). The calculation route of the sulfur reduction reaction refers to the previous report, 50–54 and our calculation results are basically consistent with the trend in these references: except that the last reduction step (Li 2 S 2 → Li 2 S) is an endothermic process, the rest of the elementary steps are exothermic, implying that the last reduction step is the rate-limiting step of the overall SRR. The endothermic reaction of the Li 2 S 2 → Li 2 S step is attributed to the intractable solid-state reaction, which is basically consistent with those reported in other literature reports.…”

N-Doped Porous Graphitic Carbon Hybridized with CrN Nanocrystals: Electrocatalysis-Induced Li2S Three-Dimensional Growth and Enhanced Cathode Kinetics

“…Among the three cathode materials, the S/CrN@N-PGC cathode consistently exhibited the lowest Tafel slope (see Table S3 for details), especially for the reduction process at 2.08 V, which corresponds to Li 2 S deposition. These results indicated that the CrN nanocrystals and N dopants − jointly accelerated the redox reactions, particularly Li 2 S formation, on the S/CrN@N-PGC cathode, consistent with the data obtained from Li 2 S deposition tests (Figure ).…”

Intrinsic Regularity of Catalytic Cobalt Chalcogenides in Lithium‐Sulfur Battery: Theoretical Study Delivers New Insights

“…Systematic theoretical calculation provides feasible way to reveal the intrinsic regularity of metal compound catalysts in lithium‐sulfur batteries [29–31] . Herein, comprehensive theoretical study revealed the intrinsic laws of cobalt chalcogenide CoX 2 (X=S, Se, Te) in adsorption, diffusion and catalytic conversion, and unveiled the uniqueness of CoTe 2 .…”