Browsing by Subject "Quantum chemical model"

Now showing items 1-1 of 1

    • Quantum chemical model for lithium electrochemical intercalation into molybdenum disulfide 
      Mendizábal Emaldía, Fernando; Santa Ana, María Angélica; Benavente Espinosa, Eglantina; González Moraga, Guillermo (2003)
      Voltage- and incremental charge capacity-composition curves for the electrochemical formation of intercalates LixMoS2 were analyzed at the molecular level by developing a quantum chemical model focused on the variation of ...