Improvement in Electrochemical Performance of Lithium Rich Li2RuO3 Cathode With Co-doping Strategy

Bapanayya Chitikela; Giribabu G; Srinu G; Vijayalakshmi R.P.

doi:10.46947/joaasr512023415

Authors

Bapanayya Chitikela S.V.University
Dr. G. Giribabu Govt. Degree College, Eluru
Dr. G. Srinu S.V.A. Govt. College, Srikalahasti
Prof. R.P. Vijayalakshmi S.V.University, Tirupati

DOI:

https://doi.org/10.46947/joaasr512023415

Keywords:

Li2RuO3, Co-doping strategy, DFT U, Li-ion battery cathode

Abstract

Lithium-rich layered oxides based on Ru are interesting as cathode materials because they have high energy density and reversible capacity. However, due to the problems of weak structural stability and voltage decay, their commercial utility is limited. To address this, we use a DFT+U quantum mechanics to investigate the co-doping strategy on Li₂RuO₃ (LRO) for improved battery performance. In particular, the effect of two co-dopants Ti and Co has been studied. The co-doping strategy has been found to significantly improve the structural and thermal stability of LRO. By slowing the oxygen removal reaction, Ti and Co improve structural stability. Co-doping with Ti and Co increases the maximum open circuit voltage at least by 5.5% and decreases the voltage reduction by a minimum of 44%. Bandgap is also increased by a minimum of 6% with co-doping. In particular, Li₂Ru_0.5Ti_0.375Co_0.125O₃ provides the highest maximum voltage of 4.4V with 61% decrease in the voltage reduction and 40% lower bandgap (0.45eV).

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Author Biographies

Dr. G. Giribabu, Govt. Degree College, Eluru

Dr. G. Giribabu is working as the Principal, Government Degree College, Eluru, Andhra Pradesh, India. He obtained his Ph.D. Degree in the year 2014 from S.V. University, Tirupati. He has more than 20 years of teaching experience and 10 years of research experience. His areas of interests include nanomaterials, density functional theory of battery materials.

Dr. G. Srinu, S.V.A. Govt. College, Srikalahasti

Dr. G. Srinu has obtained his Ph.D. degree in the year 2018 from Hyderabad Central university, Hyderabad. He is a theoretical physicist. He has 10 years of teaching and research experience. His areas of interest includes Neutrino analysis and computational materials Science

Prof. R.P. Vijayalakshmi, S.V.University, Tirupati

Prof. R.P. Vijayalakshmi has been working in the field of Condensed matter physics in particular nanostructures since 1989 (more than three decades). Her research interests include nano composite materials for photocatalytic applications. We synthesized variety of nanostructures by using chemical vapour deposition, hydrothermal, sol-gel and chemical co precipitation method, and computational materials science. Under her guidance 15 students were awarded Ph.D degree and 04 students were awarded M. Phil. degree. Four research projects funded by University Grants Commission (UGC) and Council of Scientific and Industrial Research (CSIR) were completed. She delivered more than 30 invited lectures in conferences and refresher courses and organized two national conferences and one international webinar.