Hydrogen passivated <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" altimg="si11.svg" display="inline" id="d1e548"><mml:msub><mml:mrow><mml:mi>β</mml:mi></mml:mrow><mml:mrow><mml:mn>12</mml:mn></mml:mrow></mml:msub></mml:math>-borophene nanoribbon: A propitious one-dimensional metallic anode for sodium-ion rechargeable batteries

Choudhary, Shweta; Duhan, Nidhi; Kumar, T. J. Dhilip

doi:10.1016/j.apsusc.2022.154825

Cited by 11 publications

(3 citation statements)

References 69 publications

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“…Similar materials have been reported experimentally, such as the application of Si@SiC composite and graphene nanoribbons in the field of lithium-ion batteries [23][24][25]. Furthermore, there have been theoretical reports on nanoribbons [26]. A comprehensive investigation into the variations in structure and performance of silicon carbide nanoribbons can potentially clarify their edge electronic spin states and promote their applications in optoelectronics, spintronics, and batteries.…”

Section: Introductionsupporting

confidence: 62%

Electronic Structures of Penta-SiC2 and g-SiC3 Nanoribbons: A First-Principles Study

Liu

Wang

2023

Materials

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The dimensions of nanoribbons have a significant impact on their material properties. In the fields of optoelectronics and spintronics, one-dimensional nanoribbons exhibit distinct advantages due to their low-dimensional and quantum restrictions. Novel structures can be formed by combining silicon and carbon at different stoichiometric ratios. Using density functional theory, we thoroughly explored the electronic structure properties of two kinds of silicon–carbon nanoribbons (penta-SiC2 and g-SiC3 nanoribbons) with different widths and edge conditions. Our study reveals that the electronic properties of penta-SiC2 and g-SiC3 nanoribbons are closely related to their width and orientation. Specifically, one type of penta-SiC2 nanoribbons exhibits antiferromagnetic semiconductor characteristics, two types of penta-SiC2 nanoribbons have moderate band gaps, and the band gap of armchair g-SiC3 nanoribbons oscillates in three dimensions with the width of the nanoribbon. Notably, zigzag g-SiC3 nanoribbons exhibit excellent conductivity, high theoretical capacity (1421 mA h g−1), moderate open circuit voltage (0.27 V), and low diffusion barriers (0.09 eV), making them a promising candidate for high storage capacity electrode material in lithium-ion batteries. Our analysis provides a theoretical basis for exploring the potential of these nanoribbons in electronic and optoelectronic devices as well as high-performance batteries.

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Section: Introductionsupporting

confidence: 62%

Electronic Structures of Penta-SiC2 and g-SiC3 Nanoribbons: A First-Principles Study

Liu

Wang

2023

Materials

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“…This theoretical study confirms that borophene is a promising electrode material for IBs. Besides this, additional types of boron materials have also been theorized as promising anode materials with high specific capacity for metal-ion batteries, for example P6/mmm phase of borophene, striped, β 12 and χ 3 borophene, − the honeycomb borophene (h-borophene), borophene nanoribbon, and borophene on Ag(111) substrate . Based on the excellent results of theoretical calculation, the practical application of boron nanomaterials in metal-ion batteries have also been developed.…”

Section: Applications In Energy Conversion and Storagementioning

confidence: 99%

Mono-Element Boron Nanomaterials for Energy Conversion and Storage: Preparation, Recent Progress, and Perspectives

Li,

Liu,

2024

Energy Fuels

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The development on mono-element nonmetallic materials is of great significance for achieving low-cost and highperformance conversion and storage of clean and renewable energy. As number of mono-element groups, boron has owned the intrinsic unique electronic deficiency and diversified crystal structures, and displayed the utilization potential in the energy conversion and storage fields. Especially, the various boron nanomaterials have attracted extensive attentions on the basis of their several properties, such as metallic and semiconductor characteristics, electrocatalytic activity, exceptional mechanical strength and thermal stability, which could meet the increasing demands for efficient energy conversion and storage materials. In this review, the recent advances of mono-element boron nanomaterials for energy conversion and storage have been summarized comprehensively. The experimental preparation methods, as well as physical and chemical and properties of boron nanomaterials are analyzed based on the classification of material morphologies. In addition, a special focus has been proposed on their plentiful applications as active/catalytic electrode materials in energy storage devices, and as electrocatalysts or photocatalysts in energy conversion systems. Finally, the challenges and potential opportunities have been discussed for mono-element boron nanomaterials in energy conversion and storage.

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“…Notably, these diffusion barriers are lower than those reported for some previously studied anode materials, including T-graphene (0.41 eV), graphdiyne (0.40 eV), h-AlC (0.41 eV), MoBX (0.42-0.54 eV), h-B 3 O (0.42 eV), and B 33 H 6 nanoribbon (0.38 eV). [38][39][40][41][42][43] The diffusion coefficient can be evaluated using the Arrhenius equation, D E e ÀD E/kT , where DE, k, and T represent the diffusion barrier, Boltzmann constant, and temperature, respectively. The diffusion mobility of Na on AlB 4 along path 2 is estimated to be only 1.5 times faster than that along path 1, indicating an isotropic diffusion feature.…”

Section: Diffusion Properties Of Na On the Alb 4 /Al 2 B 2 Monolayermentioning

confidence: 99%

Two-dimensional AlB₄/Al₂B₂: high-performance Dirac anode materials for sodium-ion batteries

Zou,

Ye,

Zheng

et al. 2023

Phys. Chem. Chem. Phys.

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Hydrogen passivated β12-borophene nanoribbon: A propitious one-dimensional metallic anode for sodium-ion rechargeable batteries

Cited by 11 publications

References 69 publications

Electronic Structures of Penta-SiC2 and g-SiC3 Nanoribbons: A First-Principles Study

Electronic Structures of Penta-SiC2 and g-SiC3 Nanoribbons: A First-Principles Study

Mono-Element Boron Nanomaterials for Energy Conversion and Storage: Preparation, Recent Progress, and Perspectives

Two-dimensional AlB₄/Al₂B₂: high-performance Dirac anode materials for sodium-ion batteries

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Hydrogen passivated β12-borophene nanoribbon: A propitious one-dimensional metallic anode for sodium-ion rechargeable batteries

Cited by 11 publications

References 69 publications

Electronic Structures of Penta-SiC2 and g-SiC3 Nanoribbons: A First-Principles Study

Electronic Structures of Penta-SiC2 and g-SiC3 Nanoribbons: A First-Principles Study

Mono-Element Boron Nanomaterials for Energy Conversion and Storage: Preparation, Recent Progress, and Perspectives

Two-dimensional AlB4/Al2B2: high-performance Dirac anode materials for sodium-ion batteries

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Two-dimensional AlB₄/Al₂B₂: high-performance Dirac anode materials for sodium-ion batteries