A Homo‐Triatomic Molybdenum Cluster Catalyst Enables Synergistic Optimization of Multi‐Step Sulfur Reduction Chemistry

ABSTRACT The isolated single‐active sites of single‐atom catalysts (SACs) often suffer from simultaneously maintaining the optimal adsorption states of multiple lithium polysulfide intermediates in sulfur redox reactions of Li–S batteries. Herein, we report a homo‐triatomic molybdenum cluster catalyst with Mo 3 –O 3 N 3 motifs embedded within a carbon matrix (Mo 3 /ONC) that addresses this challenge. The Mo 3 –O 3 N 3 motifs with a triangular configuration feature multi‐active sites and interatomic synergies, which can flexibly adjust the corresponding Mo─S pathway according to different intermediate sulfur species, thereby making the adsorption strength of all species favorable. Meanwhile, the optimized Mo─S…

• NN
  National Natural Science Foundation of China

  Award: 22305062
• NS
  Natural Science Foundation of Hebei Province

  Award: B2022204001