Triggering Anionic Redox Activity in Li<sub>3</sub>NbS<sub>4</sub>Through Cationic Disordering or Substitution

نویسندگان

چکیده

Extensive utilization of Li-ion batteries for varieties applications necessitates ceaseless improvements electrode materials achieving higher energy density. Towards this goal, Li-rich layered oxides exhibiting high capacity due to cumulated cationic and anionic redox activities are under study nearly a decade. Still, several unanswered questions remain with respect these Li-driven reactions in terms the activation process long-term consequences upon cycling. Here, Li3NbS4 phase is focused, synthesized as two different polymorphs, namely ordered disordered phases. From analyses their chemical electrochemical properties, crystal-electronic structure relationship unraveled that triggers activity compounds. Moreover, through complementary theoretical calculations, capability disorder trigger via hybridization non-bonding levels shown. This finding further supported by appearance introducing substitution. Altogether, insights derived can help designing new optimum performances practical applications.

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ژورنال

عنوان ژورنال: Advanced Energy Materials

سال: 2022

ISSN: ['1614-6832', '1614-6840']

DOI: https://doi.org/10.1002/aenm.202201417