As
a promising energy-storage system, lithium–sulfur batteries
(LSBs) with a high energy density suffer from the polysulfide shuttle
effect and sluggish reaction kinetics, which have been studied for
a few decades. Incorporation of polar metal oxides is an efficient
addition for LSBs to suppress the dissolution of soluble polysulfides,
increase the utilization of sulfur, and improve cycling stability.
Herein, a model (MoO2/C–NCs) based on a porous octahedral
carbon framework decorated with MoO2 nanoparticles (MoO2 NPs) as a sulfur host is proposed. Adsorption experiments
of lithium polysulfides (LiPSs) to MoO2/C–NCs and
cyclic voltammetry analysis showed that the MoO2 NPs facilitate
interfacial charge transfer and provide numerous active sites for
the electrochemical redox reactions of LiPSs. Density functional theory
calculations further reveal that LiPSs are diffused and strongly adsorbed
on the surface of MoO2 NPs because of the powerful van
der Waals forces via Mo–S and Li–O bonds, which helps
achieve a stable long-term cycling performance. As a result, the fabricated
LSBs display a high initial specific capacity of 1317 mA h g–1 at 0.2C and a promising capacity of 602 mA h g–1 and a capacity retention of 65.6% at 1C when proceeding to 500 cycles.