Modulation of Ionic Current Limitations by Doping Graphite Anodes

Fitzhugh, William W.; Li, Xin

doi:10.1149/2.0961810jes

Cited by 14 publications

(5 citation statements)

References 43 publications

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“…Li diffusion in graphene, graphite, and Si has been studied using density functional theory (DFT), a powerful tool for studying material properties. [301][302][303][304][305][306][307][308] Li diffusion behavior in Si/C composites has received limited study. Studies of amorphous Si-C layers have revealed that adding graphene substantially increases Li diffusivity near the Si/C interface.…”

Section: Diffusion Mechanism For Si/cmentioning

confidence: 99%

Silicon Solid State Battery: The Solid‐State Compatibility, Particle Size, and Carbon Compositing for High Energy Density

Boorboor Ajdari,

Asghari,

Molaei Aghdam

et al. 2024

Adv Funct Materials

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Solid‐state battery research has gained significant attention due to their inherent safety and high energy density. Silicon anodes have been promoted for their advantageous characteristics, including high volumetric capacity, low lithiation potential, high theoretical and specific gravimetric capacity, and the absence of lethal dendritic growth. Addressing concerns such as low conductivity, pulverization, fracture, dense solid electrolyte interface layer, and low coulombic efficiency has substantially improved the use of silicon electrodes in solid‐state batteries. Researchers have explored carbon additions, solid electrolyte suitability for Si anodes, pressure optimization, and particle size effects (nano/micro) to enhance energy density. Recent studies have investigated the conductivity mechanism, stack pressure, and anode‐solid electrolyte compatibility to improve energy density. Micro‐ and nano‐sized silicon have attracted attention in carbon‐based composites due to their exceptional conductivity, uniform distribution, efficient electron migration, and diffusion channels. The development of solid‐state batteries with high energy density, safety, and extended lifespan has been a major focus. This review sheds light on significant insights and strategic approaches for researchers working on solid‐state silicon‐based systems to overcome existing challenges.

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Section: Diffusion Mechanism For Si/cmentioning

confidence: 99%

Silicon Solid State Battery: The Solid‐State Compatibility, Particle Size, and Carbon Compositing for High Energy Density

Boorboor Ajdari,

Asghari,

Molaei Aghdam

et al. 2024

Adv Funct Materials

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show abstract

“…A thermodynamic modification was also used to enhance AMI intercalation in graphite, and this was achieved by using carbon site doping such as doping with boron. 91 When used as a stable carrier for alloy-conversion type electrodes, graphite is reported to have shown an increased capacity in such batteries. 23,27,[92][93][94][95][96] The FeCl 3 -GIC electrode demonstrated high reversible capacity and a long cyclic performance due to the expanded channels for ion transport and the additional reaction of FeCl 3 .…”

Section: Graphite Intercalation Compounds For Dual Ion Batteriesmentioning

confidence: 99%

Review—Energy Storage through Graphite Intercalation Compounds

Gopalakrishnan

Sundararajan

Omprakash

et al. 2021

J. Electrochem. Soc.

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Research and development with regards to battery technologies have been evolving at a profitably good rate with an impressive amount of progress being made at different levels. Graphite has been continuously preferred as the anode material for lithium-ion batteries since its commercialization in 1991. The interlayer spacing of about 3.35 Å promotes the intercalation of guest ions, thereby resulting in what is called graphite intercalation compounds (GICs). Through such intercalation mechanisms, graphite can contribute to electrochemical charge transfer owing to its ionic and electronic conduction properties. The intercalation of alkali metal ions into graphite is considered the epitome of ion intercalation with regards to layered materials. Putting together various inferences made through the years, this review aims at establishing a foundational understanding of GICs and their applications in energy storage devices. A brief overview of graphite intercalation chemistry has been provided and discussions on the advancements in various GICs ranging from binary-GICs to ternary-GICs have been elaborated. Towards the end, this paper provides a comprehension of the specific strategies that might improve the performance of a GIC, following which the challenges and the future of GIC-based research have also been highlighted.

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“…The first-principles theory provides a powerful tool for investigating material properties via atomistic-scale simulation. 30−32 A considerable number of studies using density functional theory (DFT) within the firstprinciples theory frame have been reported on Li diffusion in Si (crystalline/amorphous bulk Si 33,34 and Si nanowires 35,36 ), graphite, 37,38 and graphene. 39,40 interfacial behavior during lithiation.…”

Section: Introductionmentioning

confidence: 99%

“…Experimental studies have well-described the electrochemical performance of such Si/C composite materials at the cell or electrode level. − Nevertheless, it is challenging to use experimental methodologies to explore the lithiation mechanism at the atomistic scale, which is significant for anode material design and improvement. The first-principles theory provides a powerful tool for investigating material properties via atomistic-scale simulation. − A considerable number of studies using density functional theory (DFT) within the first-principles theory frame have been reported on Li diffusion in Si (crystalline/amorphous bulk Si , and Si nanowires , ), graphite, , and graphene. , However, until recently, little work has been devoted to Li diffusion behavior in Si/C composites. First, investigators have examined the effects of graphene material on Li diffusion in Si by focusing on the Si/C interfacial behavior during lithiation .…”

Section: Introductionmentioning

confidence: 99%

Insights into the Li Diffusion Mechanism in Si/C Composite Anodes for Lithium-Ion Batteries

Gao

2021

ACS Appl. Mater. Interfaces

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Recently, Si/C composite materials have attracted enormous research interest as the most promising candidates for the anodes of next-generation lithium-ion batteries, owing to their high energy density and mechanical buffering property. However, the fundamental mechanism of Li diffusion behavior in various Si/ C composite materials remains unclear, with our understanding limited by experimental techniques and continuum modeling methodologies. Herein, the atomic behavior of Li diffusion in the Si/C composite material is studied within the framework of density functional theory. Two representative structural mixing formats, that is, simple mixture mode and core−shell mode, are modeled and compared. We discover that the carbon material increases Li diffusion in silicon from 7.75 × 10 −5 to 2.097 × 10 −4 cm 2 /s. The boost is about 50% more obvious in the mixture mode, while the core−shell structure shows more dependence on the atomic structures of the carbon layer. These results offer new insights into Li diffusion behavior in Si/C composites and unlock the enhancing mechanism for Li diffusion in Si/C. This understanding facilitates the modeling of batteries with composite anodes and will guide the corresponding structure designs for robust and high-energy-density batteries.

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Modulation of Ionic Current Limitations by Doping Graphite Anodes

Cited by 14 publications

References 43 publications

Silicon Solid State Battery: The Solid‐State Compatibility, Particle Size, and Carbon Compositing for High Energy Density

Silicon Solid State Battery: The Solid‐State Compatibility, Particle Size, and Carbon Compositing for High Energy Density

Review—Energy Storage through Graphite Intercalation Compounds

Insights into the Li Diffusion Mechanism in Si/C Composite Anodes for Lithium-Ion Batteries

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