Probing Capacity Trends in MLi2Ti6O14Lithium-Ion Battery Anodes Using Calorimetric Studies

K. Jayanthi, Anshuman Chaupatnaik, Prabeer Barpanda, Alexandra Navrotsky

Research output: Contribution to journalArticlepeer-review


Due to higher packing density, lower working potential, and area specific impedance, the MLi2Ti6O14(M = 2Na, Sr, Ba, and Pb) titanate family is a potential alternative to zero-strain Li4Ti5O12anodes used commercially in Li-ion batteries. However, the exact lithiation mechanism in these compounds remains unclear. Despite its structural similarity, MLi2Ti6O14behaves differently depending on charge and size of the metal ion, hosting 1.3, 2.7, 2.9, and 4.4 Li per formula unit, giving charge capacity values from 60 to 160 mAh/g in contrast to the theoretical capacity trend. However, high-temperature oxide melt solution calorimetry measurements confirm strong correlation between thermodynamic stability and the observed capacity. The main factors controlling energetics are strong acid-base interactions between basic oxides MO, Li2O and acidic TiO2, size of the cation, and compressive strain. Accordingly, the energetic stability diminishes in the order Na2Li2Ti6O14> BaLi2Ti6O14> SrLi2Ti6O14> PbLi2Ti6O14. This sequence is similar to that in many other oxide systems. This work exhibits that thermodynamic systematics can serve as guidelines for the choice of composition for building better batteries.

Original languageEnglish (US)
Pages (from-to)42482-42488
Number of pages7
JournalACS Omega
Issue number46
StatePublished - Nov 22 2022

ASJC Scopus subject areas

  • Chemistry(all)
  • Chemical Engineering(all)


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