Organosulfur polymer-based cathode materials for rechargeable batteries

Ren, Siyuan; Sang, Pengfei; Guo, Wei; Fu, Yongzhu

doi:10.1039/d2py00823h

Cited by 12 publications

(12 citation statements)

References 103 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…Organosulfur copolymers are a class of organosulfur materials, which contain polysulfide bonds formed via the reaction of elemental sulfur and various monomer linkers. 84 Benefited from the strong covalent bonds between the copolymer framework and sulfur, the shuttle effect of LiPSs could be effectively suppressed during cycling. 85 According to the type of monomer linkers, organosulfur copolymers can be divided into seven categories.…”

Section: Organosulfur Copolymersmentioning

confidence: 99%

Organosulfur Materials for Rechargeable Batteries: Structure, Mechanism, and Application

et al. 2023

Self Cite

View full text Add to dashboard Cite

Lithium-ion batteries have received significant attention over the last decades due to the wide application of portable electronics and increasing deployment of electric vehicles. In order to further enhance the performance of the batteries and overcome the capacity limitations of inorganic electrode materials, it is imperative to explore new cathode and functional materials for rechargeable lithium batteries. Organosulfur materials containing sulfur−sulfur bonds as a kind of promising organic electrode materials have the advantages of high capacities, abundant resources, tunable structures, and environmental benignity. In addition, organosulfur materials have been widely used in almost every aspect of rechargeable batteries because of their multiple functionalities. This review aims to provide a comprehensive overview on the development of organosulfur materials including the synthesis and application as cathode materials, electrolyte additives, electrolytes, binders, active materials in lithium redox flow batteries, and other metal battery systems. We also give an in-depth analysis of structure−property−performance relationship of organosulfur materials, and guidance for the future development of organosulfur materials for next generation rechargeable lithium batteries and beyond.

show abstract

Section: Organosulfur Copolymersmentioning

confidence: 99%

Organosulfur Materials for Rechargeable Batteries: Structure, Mechanism, and Application

et al. 2023

Self Cite

View full text Add to dashboard Cite

show abstract

“…[14][15][16][17][18][19] However, the non-polarity of the carbon materials results in insufficient physical confinement of lithium polysulfides leading to low coulomb efficiency, rapid capacity decay, and self-discharge. 20 The second strategy involves the use of conjugated organosulfur-based polymer systems [21][22][23][24][25] that chemically confine the polysulfides, thereby minimizing their transport from the cathode to the anode.…”

Section: Introductionmentioning

confidence: 99%

“…30,31 Like organosulfurbased polymers, conjugated organic compounds can also chemically confine the polysulfide and thus prevent the shuttle effect. 22 In summary, a conjugated organosulfur-based polymer can reduce the polysulfide shuttle effect by confinement of sulfur atoms, increase the conductivity of the polymer, and effectively reduce the volume change of the sulfur cathode during the charge/discharge process.…”

Section: Introductionmentioning

confidence: 99%

Solvation structure of conjugated organosulfur polymers for lithium-sulfur battery cathodes

Gayen

Schütze

Groh

et al. 2023

Preprint

View full text Add to dashboard Cite

Lithium-sulfur (Li/S) batteries constitute a promising, next-generation energy storage technology due to their high theoretical energy density and low cost. To increase sustainability, processability, and battery performance, conducting organic polymers have become a focus of research for the development of better cathode materials. Here, we investigate the solvation structure of the conjugated poly(4-thiophen-3-yl) benzenethiol) (PTBT) polymer as a high-potential macromolecular candidate for cathodes in Li/S batteries. Using molecular dynamics (MD) simulation with newly optimized force-field parameters, we examine the effects of polymer length and various molar fractions of the popular dimethoxyethane (DME) and dioxolane (DOL) solvents on the structure of the PTBT polymer at a temperature of 300 K. We characterize basic polymeric properties as well as the composition-dependent solvent adsorption structure and thermodynamics. Importantly, we find an interesting co-solvency effect, namely that a solvent comprised of about 25% DME and 75% DOL leads to maximum swelling (best solvent quality) behavior, which should be important for optimizing cathode fractality and permeability in applications. Our study thus reveals intriguing polymer-solvent correlations and serves as a first step for further MD studies of realistic polymeric cathode structures and processes, e.g., toward charge transport in vulcanized (S-linked) network topologies.

show abstract

“…Based on the first strategy, although the production and dissolution of polysulfides still occur with a solid cathode, the structure of the cathode prevents the shuttling of polysulfides from the cathode to the anode. − However, the nonpolarity of the carbon materials results in insufficient physical confinement of lithium polysulfides leading to low coulomb efficiency, rapid capacity decay, and self-discharge . The second strategy involves the use of conjugated organosulfur-based polymer systems − that chemically confine the polysulfides, thereby minimizing their transport from the cathode to the anode.…”

Section: Introductionmentioning

confidence: 99%

“…23 Like organosulfur-based polymers, conjugated organic compounds can also chemically confine the polysulfide and thus prevent the shuttle effect. 16 In summary, a conjugated organosulfur-based polymer can reduce the polysulfide shuttle effect by confinement of sulfur atoms, increase the conductivity of the polymer, and effectively reduce the volume change of the sulfur cathode during the charge/ discharge process. Therefore, in the present work, we consider poly(4-(thiophene-3-yl)benzenethiol) (PTBT) (Figure 1) as a conjugated organosulfur-based polymer in which 4-(thiophene-3-yl)benzenethiol (TBT) (Figure 1) acts as a monomer.…”

Section: Introductionmentioning

confidence: 99%

Solvation Structure of Conjugated Organosulfur Polymers for Lithium–Sulfur Battery Cathodes

Gayen

Schütze

Groh

et al. 2023

ACS Appl. Polym. Mater.

View full text Add to dashboard Cite

Lithium–sulfur (Li/S) batteries constitute a promising, next-generation energy storage technology due to their high theoretical energy density and low cost. To increase sustainability, processability, and battery performance, conducting organic polymers have become a focus of research for the development of better cathode materials. Here, we investigate the solvation structure of a single conjugated poly(4-(thiophen-3-yl)benzenethiol) (PTBT) polymer as a high-potential macromolecular candidate for synthesizing optimized cathodes in Li/S batteries. Using molecular dynamics (MD) simulation with newly optimized force-field parameters, we examine the effects of polymer length and various molar fractions of the popular dimethoxyethane (DME) and dioxolane (DOL) solvents on the structure of the PTBT polymer at a temperature of 300 K. We characterize basic polymeric properties as well as the composition-dependent solvent adsorption structure and thermodynamics and uncover significant tunability by the solvent. Importantly, we find an interesting cosolvency effect, namely that a solvent mixture composed of 25% DME and 75% DOL leads to maximum swelling behavior, which should be important for optimizing cathode fractality and permeability in applications. Our study thus reveals intriguing polymer–solvent correlations and serves as an important prerequisite for future MD studies of realistic polymeric cathode structures and processes, e.g., toward charge transport in vulcanized (S-linked) network topologies.

show abstract

Organosulfur polymer-based cathode materials for rechargeable batteries

Abstract: Lithium−sulfur (Li−S) batteries are a promising energy storage system due to the high capacity and energy density. However, the shuttle of lithium polysulfides upon cycling limits their practical application. In...

Cited by 12 publications

References 103 publications

Organosulfur Materials for Rechargeable Batteries: Structure, Mechanism, and Application

Organosulfur Materials for Rechargeable Batteries: Structure, Mechanism, and Application

Solvation structure of conjugated organosulfur polymers for lithium-sulfur battery cathodes

Solvation Structure of Conjugated Organosulfur Polymers for Lithium–Sulfur Battery Cathodes

Contact Info

Product

Resources

About