<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline" overflow="scroll"><mml:msub><mml:mi>Be</mml:mi><mml:mn>2</mml:mn></mml:msub><mml:msub><mml:mrow><mml:mrow><mml:mi mathvariant="normal">C</mml:mi></mml:mrow></mml:mrow><mml:mn>5</mml:mn></mml:msub></mml:math>
 Monolayer with Quasiplanar Pentacoordinate Carbon Atoms and Ultrahigh Energy Density as a Dirac Anode for Potassium-Ion Batteries

Wang, Feilong; Xu, Meiling; Lin, Shuyi; Hao, Jian; Wang, Yanchao; Zhao, Hong Jian; Li, Yinwei

doi:10.1103/prxenergy.2.033012

PRX Energy

2023

DOI: 10.1103/prxenergy.2.033012

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Be2C5 Monolayer with Quasiplanar Pentacoordinate Carbon Atoms and Ultrahigh Energy Density as a Dirac Anode for Potassium-Ion Batteries

Feilong Wang,

Meiling Xu,

Shuyi Lin

et al.

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Cited by 5 publications

References 125 publications

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Ultrahigh Potassium Storage Capacity of Ca₂Si Monolayer with Orderly Multilayered Growth Mechanism

Fang,

Jiang,

Guo

et al. 2024

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As the rising renewable energy demands and lithium scarcity, developing high‐capacity anode materials to improve the energy density of potassium‐based batteries (PBBs) is increasingly crucial. In this work, a unique orderly multilayered growth (OMLG) mechanism on a 2D‐Ca2Si monolayer is theoretically demonstrated for potassium storage by first‐principles calculations. The global‐energy‐minimum Ca2Si monolayer is a semiconductor with isotropic mechanical properties and remarkable electrochemical properties, such as a low potassium ion migration energy barrier of 0.07 eV and a low open circuit voltage ranging from 0.224 to 0.003 V. Most notably, 2D‐Ca2Si demonstrates an ultrahigh theoretical specific capacity of 5459 mAh g−1 and a total specific capacity of 610 mAh g−1, reaching up to 89% of the capacity of a potassium metal anode. Remarkably, the OMLG mechanism facilitates stable, dendrite‐free deposition of hcp‐K metal layers on the 2D‐Ca2Si surface, where the ultrahigh and gradually converging lattice match as the layers increase is the key to achieving theoretically near‐infinite growth. The study theoretically demonstrates the Ca2Si monolayer a highly promising anode material, and offers a novel potassium storage strategy for designing 2D anode materials with high specific capacity, rapid potassium‐ion migration, and good safety.

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Ultrahigh Potassium Storage Capacity of Ca₂Si Monolayer with Orderly Multilayered Growth Mechanism

Fang,

Jiang,

Guo

et al. 2024

Small

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Metallic Be2M (M = Al, Ga) monolayers as potential universal anodes for Li and post-Li ion batteries

Liu,

Wang

2024

Colloids and Surfaces A: Physicochemical and Engineering Aspect

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Stoner Ferromagnetism in Intrinsic BeC₅ Monolayer

Wang,

Xu,

Zhou

et al. 2023

ACS Materials Lett.

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The diamagnetism of graphene restricts its suitability as a candidate material for future spintronic applications. In this study, we unveil the inherent ferromagnetism by deliberately incorporating zigzag beryllium chains into the structure of graphene. Using swarm-intelligence structure search methods and firstprinciples calculations, we have predicted a global minimum BeC 5 monolayer, demonstrating an intrinsic magnetic moment of 0.65 μ B per unit cell. Notably, the BeC 5 monolayer exhibits a node-line-like characteristic at the Fermi level, giving rise to a high density of states and a pronounced Van Hove singularity. The distinct electronic structure activates Stoner's criterion, resulting in the onset of ferromagnetic instability in BeC 5 . Monte Carlo simulations utilizing the Ising model indicate a Curie temperature of 80 K for BeC 5 . Our study illustrates the sensitivity of ferromagnetic instability to biaxial tensile strain, with the transition from ferromagnetism to nonmagnetism taking place at a critical strain of 4.6%. This transition is accompanied by the emergence of Dirac states within the system.

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Be2C5 Monolayer with Quasiplanar Pentacoordinate Carbon Atoms and Ultrahigh Energy Density as a Dirac Anode for Potassium-Ion Batteries

Cited by 5 publications

References 125 publications

Ultrahigh Potassium Storage Capacity of Ca₂Si Monolayer with Orderly Multilayered Growth Mechanism

Ultrahigh Potassium Storage Capacity of Ca₂Si Monolayer with Orderly Multilayered Growth Mechanism

Metallic Be2M (M = Al, Ga) monolayers as potential universal anodes for Li and post-Li ion batteries

Stoner Ferromagnetism in Intrinsic BeC₅ Monolayer

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Be2C5 Monolayer with Quasiplanar Pentacoordinate Carbon Atoms and Ultrahigh Energy Density as a Dirac Anode for Potassium-Ion Batteries

Cited by 5 publications

References 125 publications

Ultrahigh Potassium Storage Capacity of Ca2Si Monolayer with Orderly Multilayered Growth Mechanism

Ultrahigh Potassium Storage Capacity of Ca2Si Monolayer with Orderly Multilayered Growth Mechanism

Metallic Be2M (M = Al, Ga) monolayers as potential universal anodes for Li and post-Li ion batteries

Stoner Ferromagnetism in Intrinsic BeC5 Monolayer

Contact Info

Product

Resources

About

Ultrahigh Potassium Storage Capacity of Ca₂Si Monolayer with Orderly Multilayered Growth Mechanism

Ultrahigh Potassium Storage Capacity of Ca₂Si Monolayer with Orderly Multilayered Growth Mechanism

Stoner Ferromagnetism in Intrinsic BeC₅ Monolayer