Structural Evolution of Electrochemically Lithiated MoS₂ Nanosheets and the Role of Carbon Additive in Li-Ion Batteries.

ABSTRACT: Understanding the structure and phase changes associated with conversion-type materials is key to optimizing their electrochemical performance in Li-ion batteries. For example, molybdenum disulfide (MoS₂) offers a capacity up to 3-fold higher (∼1 Ah/g) than the currently used graphite anodes, but they suffer from limited Coulombic efficiency and capacity fading. The lack of insights into the structural dynamics induced by electrochemical conversion of MoS₂ still hampers its implementation in high energy-density batteries. Here, by combining ab initio density-functional theory (DFT) simulation with electrochemical analysis, we found new sulfur-enriched intermediates that progressively insulate MoS₂ electrodes and cause instability from the first disch

SUBMITTER: George C 

PROVIDER: S-EPMC5089058 | biostudies-literature | 2016 Oct

REPOSITORIES: biostudies-literature