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Applied Energy Materials for Li-Ion Batteries

A special issue of Energies (ISSN 1996-1073). This special issue belongs to the section "D1: Advanced Energy Materials".

Deadline for manuscript submissions: closed (17 September 2021) | Viewed by 2513

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Guest Editor
Department of Materials, Imperial College London, London SW7 2AZ, UK
Interests: battery materials; nanomaterials; electrodes; fuel cells; nuclear material
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

Lithium ion batteries (LIBs) have the potential to improve energy efficiency and reduce green house gas emissions. All batteries provide a method of converting chemical energy into electrical energy efficiently. LIBs have a great advantage over other types of batteries as they exhibit higher energy density, voltage capacity, and lower self-discharge rate.

The properties of the electrode and electrolyte materials have a major impact on battery performance. Materials with high density, low activation energy of Li-ion diffusion, low cost, low environmental impact and high abundance are needed to construct an efficient Li-ion battery. A variety of potential energy materials have been proposed and tested for building Li-ion batteries required for large scale applications such as electronic vehicles. The search for new class of cathode materials is still being continued in order to improve the output potential and energy density in Li-ion batteries. The Special Issue will focus on the experimental and theoretical examination of energy materials required for rechargeable Li-ion batteries.

Dr. Navaratnarajah Kuganathan
Guest Editor

Manuscript Submission Information

Manuscripts should be submitted online at www.mdpi.com by registering and logging in to this website. Once you are registered, click here to go to the submission form. Manuscripts can be submitted until the deadline. All submissions that pass pre-check are peer-reviewed. Accepted papers will be published continuously in the journal (as soon as accepted) and will be listed together on the special issue website. Research articles, review articles as well as short communications are invited. For planned papers, a title and short abstract (about 100 words) can be sent to the Editorial Office for announcement on this website.

Submitted manuscripts should not have been published previously, nor be under consideration for publication elsewhere (except conference proceedings papers). All manuscripts are thoroughly refereed through a single-blind peer-review process. A guide for authors and other relevant information for submission of manuscripts is available on the Instructions for Authors page. Energies is an international peer-reviewed open access semimonthly journal published by MDPI.

Please visit the Instructions for Authors page before submitting a manuscript. The Article Processing Charge (APC) for publication in this open access journal is 2600 CHF (Swiss Francs). Submitted papers should be well formatted and use good English. Authors may use MDPI's English editing service prior to publication or during author revisions.

Keywords

  • atomistic simulations
  • battery materials
  • fuel cell materials
  • DFT methods

Published Papers (1 paper)

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Research

11 pages, 11335 KiB  
Article
Defect Properties and Lithium Incorporation in Li2ZrO3
by Kobiny Antony Rex, Poobalasuntharam Iyngaran, Navaratnarajah Kuganathan and Alexander Chroneos
Energies 2021, 14(13), 3963; https://doi.org/10.3390/en14133963 - 1 Jul 2021
Cited by 7 | Viewed by 2019
Abstract
Lithium zirconate is a candidate material in the design of electrochemical devices and tritium breeding blankets. Here we employ an atomistic simulation based on the classical pair-wise potentials to examine the defect energetics, diffusion of Li-ions, and solution of dopants. The Li-Frenkel is [...] Read more.
Lithium zirconate is a candidate material in the design of electrochemical devices and tritium breeding blankets. Here we employ an atomistic simulation based on the classical pair-wise potentials to examine the defect energetics, diffusion of Li-ions, and solution of dopants. The Li-Frenkel is the lowest defect energy process. The Li-Zr anti-site defect cluster energy is slightly higher than the Li-Frenkel. The Li-ion diffuses along the c axis with an activation energy of 0.55 eV agreeing with experimental values. The most favorable isovalent dopants on the Li and Zr sites were Na and Ti respectively. The formation of additional Li in this material can be processed by doping of Ga on the Zr site. Incorporation of Li was studied using density functional theory simulation. Li incorporation is exoergic with respect to isolated gas phase Li. Furthermore, the semiconducting nature of LZO turns metallic upon Li incorporation. Full article
(This article belongs to the Special Issue Applied Energy Materials for Li-Ion Batteries)
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