Nanomaterials for Next-Generation Rechargeable Batteries: Lithium-Ion and Beyond

A special issue of Condensed Matter (ISSN 2410-3896). This special issue belongs to the section "Physics of Materials".

Deadline for manuscript submissions: closed (20 August 2022) | Viewed by 6731

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Special Issue Editors

Prof. Dr. Mohsen Asle Zaeem

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Guest Editor

Department of Mechanical Engineering and Materials Science Program, Colorado School of Mines, Golden, CO 80401, USA
Interests: phase field modeling; phase transformation; mechanical behavior of materials; computational mechanics; 2D materials; computational materials science
Special Issues, Collections and Topics in MDPI journals

Dr. Siby Thomas

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Guest Editor

Department of Mechanical Engineering, Colorado School Of Mines, Golden, CO 80401, USA
Interests: 2D materials; molecular dynamics; density functional theory; energy storage, Li-ion batteries; nanomaterials

Prof. Dr. K.M. Ajith

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Guest Editor

Department of Physics, National Institute of Technology Karnataka, Surathkal, Mangaluru 575 025, India
Interests: quantum field theory; molecular dynamics; density functional theory; 2D materials; Li-ion batteries; general theory of relativity

Special Issue Information

Dear Colleagues,

The advancement of eco-friendly, clean, and sustainable energy resources is one of the vital disputes of this century which helps to minimize CO2 emission and the ensuing global energy crisis. However, the intense need for and use of cleaner and sustainable energy resources remains one of the most challenging scientific topics in this century. Among all the various artistries used for the storage of renewable energy, secondary rechargeable batteries such as lithium-ion batteries (LIBs) and sodium-ion batteries (SIB) have demonstrated their potential and capability for use in electric vehicles and portable devices and even in grid-scale energy storage stations. For the making of battery electrodes, nanomaterials have shown unique advantages due to their excellent mechanical strength, high specific capacity, good electrical conductivity, and cyclability.

This Special Issue aims to bring out a novel collection of articles and shall provide a unique opportunity for researchers to disseminate high-quality fundamental and applied scientific research covering both experimental techniques and computational frameworks with a focus on nanomaterials for next-generation rechargeable batteries. This allows researchers to expand their horizons toward the development of novel nanomaterials using computational discovery and design, as well as utilizing experimental techniques for the development of suitable materials for energy storage applications.

This Special Issue collection also welcomes review articles (selected based on review article proposals submitted by authors), perspective articles, and original research articles that generate significant interest toward the scope of the Special Issue, i.e., nanomaterials for next-generation rechargeable batteries. Further, articles focused on (1) the computational design and discovery of novel 2D nanomaterials and their heterostructures (graphene/MXene, graphene/TMDs, TMDs/MXenes, MXenes/MXenes, 2D/MXenes, etc.), (2) experimental synthesis, characterization, and fabrication of size- and morphology-controlled nanoparticles, nanowires/rods/tubes, nanosheets, and van der Waals materials for battery applications, (3) novel nanostructures, and (4) novel electrochemistry at the nanoscale are also welcomed.

Prof. Dr. Mohsen Asle Zaeem
Dr. Siby Thomas
Prof. Dr. K.M. Ajith
Guest Editors

Manuscript Submission Information

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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. Condensed Matter is an international peer-reviewed open access quarterly journal published by MDPI.

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Keywords

2D materials and heterostructures
MXenes
graphene, structural defects
energy storage
Li-ion batteries
Na-ion batteries
Li-S batteries
anode materials
cathode materials
electrolytes
metal-ion batteries
computational studies
density functional theory
molecular dynamics
experimental techniques
synthesis and characterization
machine learning

Published Papers (2 papers)

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Research

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8 pages, 3346 KiB

Open AccessArticle

Essential Electronic Properties of Stage-1 Li/Li⁺-Graphite-Intercalation Compounds for Different Concentrations

by Wei-Bang Li, Shih-Yang Lin, Ming-Fa Lin and Kuang-I Lin

Condens. Matter 2022, 7(2), 35; https://doi.org/10.3390/condmat7020035 - 05 May 2022

Cited by 1 | Viewed by 2035

Abstract

We use first-principles calculations within the density functional theory (DFT) to explore the electronic properties of stage-1 Li- and Li⁺-graphite-intercalation compounds (GIC) for different concentrations of LiC_x/Li⁺C_x, with x = 6, 12, 18, 24, 32 and 36. The essential properties, e.g., geometric structures, band structures and spatial charge distributions are determined by the hybridization of the orbitals, the main focus of our work. The band structures/density of states/spatial charge distributions display that Li-GIC shows a blue shift of Fermi energy just like metals, but Li⁺-GIC still remains as in the original graphite or exhibits so-called semi-metallic properties, possessing the same densities of free electrons and holes. According to these properties, we find that there exist weak but significant van der Waals interactions between interlayers of graphite, and 2s-2p_z hybridization between Li and C. There scarcely exist strong interactions between Li⁺-C. The dominant interaction between the Li and C is 2s-2p_z orbital-orbital coupling; the orbital-orbital coupling is not significant in the Li⁺ and C cases, but dipole-diploe coupling is. Full article

(This article belongs to the Special Issue Nanomaterials for Next-Generation Rechargeable Batteries: Lithium-Ion and Beyond)

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Review

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13 pages, 2996 KiB

Open AccessReview

Antimony (Sb)-Based Anodes for Lithium–Ion Batteries: Recent Advances

by Sreejesh Moolayadukkam, Kaveramma Appachettolanda Bopaiah, Priyanka Karathan Parakkandy and Siby Thomas

Condens. Matter 2022, 7(1), 27; https://doi.org/10.3390/condmat7010027 - 05 Mar 2022

Cited by 9 | Viewed by 3960

Abstract

To mitigate the use of fossil fuels and maintain a clean and sustainable environment, electrochemical energy storage systems are receiving great deal of attention, especially rechargeable batteries. This is also associated with the growing demand for electric vehicles, which urged the automotive industries to explore the capacities of new materials for use in lithium–ion batteries (LIBs). Graphite is still employed as an anode in large majority of currently available commercial LIBs preserving their better cyclic stability despite enormous research efforts to identify viable alternatives with improved power and energy density. From this point of view, antimony acts as a promising material because it has good theoretical capacity, high volumetric capacity, good reactivity with lithium and good electronic conductivities. Recently, there have been many works that focused on the development of antimony as an alternative anode. This review tries to give a bird’s eye view comprising the experimental and theoretical insights on the developments in the direction of using antimony and antimony composites as anodes for rechargeable Li. Full article

(This article belongs to the Special Issue Nanomaterials for Next-Generation Rechargeable Batteries: Lithium-Ion and Beyond)

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