Charge–discharge mechanism, lithium-ion diffusion in Al, Ca, and Cu doped lithium metatitanate based anodes for Li-ion batteries: first principles study

Author:

Surthi Kiran Kumar1ORCID,Thak Mamatha2,Kar Kamal K.13ORCID

Affiliation:

1. Advanced Nanoengineering Materials Laboratory, Materials Science Programme, Indian Institute of Technology Kanpur, Kanpur, Uttar Pradesh, 208016, India

2. Spoorthy Degree College, Palamoor University, Narayanpet, Telangana, 509210, India

3. Department of Mechanical Engineering, Indian Institute of Technology Kanpur, Kanpur, Uttar Pradesh, 208016, India

Abstract

Understanding the charge–discharge mechanism at the atomic-scale and the evolution of electrochemical properties for lithiated/de-lithiated compounds is a key challenge in lithium ion batteries (LIBs).

Publisher

Royal Society of Chemistry (RSC)

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