Special Issue Editor

Prof. Dr. Wonbong Choi

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Guest Editor

Department of Materials Science & Engineering, Mechanical Engineering, University of North Texas, Denton, TX 76203-5017, USA
Interests: nanomaterials synthesis; material characterization; nanoelectronics; rechargeable batteries; biosensors

Special Issue Information

Dear Colleagues,

Lithium-sulfur (Li-S) batteries are considered one of the most promising next-generation energy storage devices because of their high theoretical energy density, and also because of the easy availability of sulfur. There has been significant progress in recent years in addressing the intrinsic issues that have prevented the widespread use of Li-S batteries, including (a) the insulating nature of sulfur which leads to poor utilization of the active material; (b) formation of high-order soluble polysulfides which leads to polysulfide shuttling and the inevitable capacity fading; and (c) growth of the parasitic Li dendrites, which raises safety concerns. Replacing the liquid electrolyte with the solid electrolyte is expected to improve the safety and cycle stability of lithium-sulfur batteries. The performance and application of solid state Li-S batteries are limited by their low capacity, poor rate performance, and unsatisfied cycle life, which need to be overcome by advances in technology. This Special Edition will present the current status of Li-S batteries, addressing how advances in science/technology and theoretical studies of the Li-S system are helping to overcome the above intrinsic hurdles and therefore provide future directions and approaches to the development of practical Li-S batteries.

Prof. Dr. Wonbong Choi
Guest Editor

Manuscript Submission Information

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Keywords

Li-S battery
sulfur cathode
Li-meal anode
solid state Li-S battery
Li-dendrite
polysulfide shuttling
electrolyte–sulfur ratio
energy density
sulfur utilization
cycle life

Published Papers (3 papers)

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Research

Jump to: Review

14 pages, 4087 KiB

Open AccessArticle

Understanding Solid Electrolyte Interphase Nucleation and Growth on Lithium Metal Surfaces

by Stefany Angarita-Gomez and Perla B. Balbuena

Batteries 2021, 7(4), 73; https://0-doi-org.brum.beds.ac.uk/10.3390/batteries7040073 - 02 Nov 2021

Cited by 3 | Viewed by 3540

Abstract

Experiments and theory are needed to decode the exact structure and distribution of components of a passivation layer formed at the anode surface of Li metal batteries, known as the Solid Electrolyte Interphase (SEI). Due to the inherent dynamic behavior as well as the lithium reactivity, the SEI structure and its growth mechanisms are still unclear. This study uses molecular simulation and computational chemistry tools to investigate the initial nucleation and growth dynamics of LiOH and Li₂O that provide us with thermodynamics and structural information about the nucleating clusters of each species. Following the most favorable pathways for the addition of each of the components to a given nascent SEI cluster reveals their preferential nucleation mechanisms and illustrates different degrees of crystallinity and electron density distribution that are useful to understand ionic transport through SEI blocks. Full article

(This article belongs to the Special Issue Rechargeable Lithium-Sulfur Battery: Present and Future)

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20 pages, 4116 KiB

Open AccessArticle

Lithium Polysulfide Interaction with Group III Atoms-Doped Graphene: A Computational Insight

by Mauro Francesco Sgroi, Daniele Pullini and Alina Iuliana Pruna

Batteries 2020, 6(3), 46; https://0-doi-org.brum.beds.ac.uk/10.3390/batteries6030046 - 12 Sep 2020

Cited by 8 | Viewed by 3942

Abstract

The development of long lifetime Li–S batteries requires new sulfur–carbon based composite materials that are able to suppress the shuttle effect—namely, the migration of soluble lithium polysulfides from the cathode to the anode of the cell. Graphene is one of the most promising carbon supports for sulfur, thanks to its excellent conductivity and to the possibility of tailoring its chemical–physical properties, introducing heteroatoms in its structure. By using first principle density functional theory simulations, this work aims at studying the effect of doping graphene with group III elements (B, Al, Ga) on its electronic properties and on its chemical affinity towards lithium polysulfides. Our results show that Al and Ga doping strongly modify the local structure of the lattice near heteroatom site and generate a charge transfer between the dopant and its nearest neighbor carbon atoms. This effect makes the substrate more polar and greatly enhances the adsorption energy of polysulfides. Our results suggest that Al- and Ga-doped graphene could be used to prepare cathodes for Li–S cells with improved performances and lifetime. Full article

(This article belongs to the Special Issue Rechargeable Lithium-Sulfur Battery: Present and Future)

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Graphical abstract

Review

Jump to: Research

24 pages, 2785 KiB

Open AccessReview

A Perspective on Li/S Battery Design: Modeling and Development Approaches

by Chase McCreary, Yuhui An, Sun Ung Kim and Yoon Hwa

Batteries 2021, 7(4), 82; https://0-doi-org.brum.beds.ac.uk/10.3390/batteries7040082 - 02 Dec 2021

Cited by 9 | Viewed by 4377

Abstract

Lithium/sulfur (Li/S) cells that offer an ultrahigh theoretical specific energy of 2600 Wh/kg are considered one of the most promising next-generation rechargeable battery systems for the electrification of transportation. However, the commercialization of Li/S cells remains challenging, despite the recent advancements in materials development for sulfur electrodes and electrolytes, due to several critical issues such as the insufficient obtainable specific energy and relatively poor cyclability. This review aims to introduce electrode manufacturing and modeling methodologies and the current issues to be overcome. The obtainable specific energy values of Li/S pouch cells are calculated with respect to various parameters (e.g., sulfur mass loading, sulfur content, sulfur utilization, electrolyte-volume-to-sulfur-weight ratio, and electrode porosity) to demonstrate the design requirements for achieving a high specific energy of >300 Wh/kg. Finally, the prospects for rational modeling and manufacturing strategies are discussed, to establish a new design standard for Li/S batteries. Full article

(This article belongs to the Special Issue Rechargeable Lithium-Sulfur Battery: Present and Future)

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