Holey penta-hexagonal graphene: a promising anode material for Li-ion batteries

Lu, Linguo; Gallenstein, Raven; Liu, Xinghui; Lin, Yi; Lin, Shiru; Chen, Zhongfang

doi:10.1039/d3cp06146a

Phys. Chem. Chem. Phys.

2024

DOI: 10.1039/d3cp06146a

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Holey penta-hexagonal graphene: a promising anode material for Li-ion batteries

Linguo Lu,

Raven Gallenstein,

Xinghui Liu

et al.

Abstract: Carbon allotropes are widely used as anode materials in Li batteries, with graphite being commercially successful. However, the limited capacity and cycling stability of graphite impede further advancement and hinder...

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2024

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Cited by 2 publications

References 79 publications

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Investigating the Stable Structures and Topological Insulator Characteristics of Honeycomb AuTe Monolayer Through Decorating with Alkali Metal Atoms, as well as the Effects of Strain and Layering: a First‐Principle Study

Faraji,

Yalameha,

Hosseine

et al. 2024

Advcd Theory and Sims

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In this study, first‐principles calculations are used to systematically study the structural, mechanical, and optical properties of the honeycomb AuTe monolayer, as well as the influence of layered structures on their stability and electronic properties. Additionally, the effect of alkali metal atoms decorating AuTe‐X (X = Li, Na, K) and related structural, electronic, optical, and topological insulator properties, along with the biaxial strain on the lithium‐decorated AuTe‐Li monolayer are investigated. The AuTe monolayer shows metallic characteristics, and when alkali metal atoms are decorated onto it, the resulting structures remain dynamically stable. Notably, the introduction of Li, Na, and K atoms induces bandgap opening in the decorated Li and Na monolayers near the Fermi level, causing metal‐to‐narrow bandgap semiconductor and Dirac semi‐metal transitions. Conversely, the metallic nature of the decorated AuTe‐K monolayer is retained. The emergence of a bandgap near the Fermi level, caused by alkali metal decoration, triggers a topological phase transition in AuTe‐Li, AuTe‐Na, and AuTe‐K monolayers. Optical analyses reveal that AuTe‐K decorated structure enhances light absorption in the visible spectrum. Consequently, the findings provide insights into the decoration of these two‐dimensional material monolayers, potentially advancing research and motivating the production of such monolayers for current nanodevice applications.

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Investigating the Stable Structures and Topological Insulator Characteristics of Honeycomb AuTe Monolayer Through Decorating with Alkali Metal Atoms, as well as the Effects of Strain and Layering: a First‐Principle Study

Faraji,

Yalameha,

Hosseine

et al. 2024

Advcd Theory and Sims

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Electric field enhances the electronic and diffusion properties of penta-graphene nanoribbon anodes in lithium-ion batteries

Tran,

Anh Duy,

Hieu

et al. 2024

RSC Adv.

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Holey penta-hexagonal graphene: a promising anode material for Li-ion batteries

Abstract: Carbon allotropes are widely used as anode materials in Li batteries, with graphite being commercially successful. However, the limited capacity and cycling stability of graphite impede further advancement and hinder...

Cited by 2 publications

References 79 publications

Investigating the Stable Structures and Topological Insulator Characteristics of Honeycomb AuTe Monolayer Through Decorating with Alkali Metal Atoms, as well as the Effects of Strain and Layering: a First‐Principle Study

Investigating the Stable Structures and Topological Insulator Characteristics of Honeycomb AuTe Monolayer Through Decorating with Alkali Metal Atoms, as well as the Effects of Strain and Layering: a First‐Principle Study

Electric field enhances the electronic and diffusion properties of penta-graphene nanoribbon anodes in lithium-ion batteries

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