Lithium titanate oxide (Li₄Ti₅O₁₂, LTO) has been receiving significant attention as alternative over graphitic anode for Li-ion batteries (LIBs) due to its zero strain property, no lithium plating at quick charging and higher thermal stability [1-2]. The Li/Li⁺ potential plateaus of LTO anodes lies around 1.55 V [2-3] which forms 2V–class batteries when used with high voltage cathodes, i.e., LiMn₂O₄, LiCoO₂ and LiNi_1/3Mn_1/3Co_1/3O₂. Several studies have been conducted on the synthesis, characterization and electrochemical performance assessment of LTO as potential anode material for Li-ion battery technologies [1-4]. However, the effect of design and cell parameters on the discharge capacity and electrochemical behavior of the LTO anodes has not been reported in the literature so far. Numerical simulations using mathematical models are widely used as an alternative to carry out detailed parametric analysis, which can assist in quantifiable implications of cell variables on the charge-discharge capacity of LIBs. Therefore, the objectives of the present study are focused on the investigation of intercalation-deintercalation phenomena in LTO electrodes (against Li-foil) through experiments and simulations. The experimental work consists of synthesis, characterization and electrochemical performance assessment including open-circuit potential (OCP) measurement of the LTO material. Furthermore, lithium diffusivity in the solid matrix of the LTO electrode is also gauged through galvanostatic intermittent titration technique (GITT). The measured cell variables are used as input to the numerical simulations for Li/LTO half-cells which utilize the Doyle’s [5] pseudo-two-dimensional cell model. Figure 1 shows numerically simulated cell potential vs. normalized capacity which indicates departure of cell voltage from OCP due to lithiation and delithiation in LTO electrode. This study will lead to quantification of electrochemical performance, rate capability and optimum cell parameters for synthesized LTO as anode material for LIBs.

1. N. Nitta, F. Wu, J.T. Lee and G. Yushin, “Li-ion battery materials : present and future”, Mater. Today, 18, 252 (2015).
2. Y. Wang, L. Gu, Y. Guo, H. Li, X. He, S. Tsukimoto, Y. Ikuhara and L. Wan, “Rutile-TiO ₂ nanocoating for a high-rate Li₄Ti₅O₁₂ anode of a Li-ion battery”, J. Am. Chem. Soc., 134, 7874 (2012).
3. C. Zhang, Y. Zhang, J. Wang, D. Wang, D. He and Y. Xia, “Li₄Ti₅O₁₂ prepared by a modified citric acid sol-gel method for Li-ion battery”, J. Power Sources, 236, 118 (2013).
4. A.S. Prakash, P. Manikandan, K. Ramesha, M. Sathiya, J. Tarascon, A.K. Shukla and D.P.J. Verne, “Solution-combustion synthesized nanocrystalline Li₄Ti₅O₁₂ as high-rate performance Li-ion battery anode”, Chem. Mater., 22, 2857 (2010).
5. M. Doyle, T.F. Fuller and J. Newman, “Modeling of galvanostatic charge and discharge of the lithium/polymer/insertion cell”, J. Electrochem. Soc., 140, 1526 (1993).