Computational study of edge configuration and the diameter effects on the electrical transport of graphdiyne nanotubes

Shohany, B. Ghanbari; Roknabadi, Mahmood Rezaee; Kompany, Ahmad

doi:10.1016/j.physe.2016.05.040

Cited by 30 publications

(16 citation statements)

References 45 publications

(40 reference statements)

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“…In the case of graphdiyne nanoribbons (GDYNRs), the energy gaps were in ranges of 0.54–0.97 eV and 0.73–1.65 eV for armchair (AGDYNRs) and zig-zag (ZGYDNRs) configurations, respectively. The effects of the edge arrangement (AGDYNTs and/or ZGYDNRs) of graphdiyne nanotubes (GDYNTs) on band structure were investigated in detail by Shohany et al [ 139 ]. All GDYNTs under investigation exhibited semiconducting behavior, with a fundamental band gap ranging from 0.65 to 0.5 for AGDYNTs and from 0.95 to 0.55 for ZGDYNTs, as summarized in Table 2 .…”

Section: Electronic Propertiesmentioning

confidence: 99%

Developments in Synthesis and Potential Electronic and Magnetic Applications of Pristine and Doped Graphynes

et al. 2021

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Doping and its consequences on the electronic features, optoelectronic features, and magnetism of graphynes (GYs) are reviewed in this work. First, synthetic strategies that consider numerous chemically and dimensionally different structures are discussed. Simultaneous or subsequent doping with heteroatoms, controlling dimensions, applying strain, and applying external electric fields can serve as effective ways to modulate the band structure of these new sp2/sp allotropes of carbon. The fundamental band gap is crucially dependent on morphology, with low dimensional GYs displaying a broader band gap than their bulk counterparts. Accurately chosen precursors and synthesis conditions ensure complete control of the morphological, electronic, and physicochemical properties of resulting GY sheets as well as the distribution of dopants deposited on GY surfaces. The uniform and quantitative inclusion of non-metallic (B, Cl, N, O, or P) and metallic (Fe, Co, or Ni) elements into graphyne derivatives were theoretically and experimentally studied, which improved their electronic and magnetic properties as row systems or in heterojunction. The effect of heteroatoms associated with metallic impurities on the magnetic properties of GYs was investigated. Finally, the flexibility of doped GYs’ electronic and magnetic features recommends them for new electronic and optoelectronic applications.

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Section: Electronic Propertiesmentioning

confidence: 99%

Developments in Synthesis and Potential Electronic and Magnetic Applications of Pristine and Doped Graphynes

et al. 2021

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“…Meanwhile, zigzag GDY nanotubes possessed a smaller bandgap and higher diameter compared to armchair GDY nanotubes. [ 48 ] As for bulk GDY, especially bilayer and trilayer GDY, the stacking mode also influences its electrical features. As displayed in Figure 1f,g, the stacking modes of AB (β1) and AB (β2) for double‐layer GDY are the most stable configuration and second stable configuration.…”

Section: Structure and Propertymentioning

confidence: 99%

Graphdiyne: A Rising Star of Electrocatalyst Support for Energy Conversion

Lai

Zhang

et al. 2020

Advanced Energy Materials

110

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Graphdiyne (GDY), a rising star of 2D carbon allotropes with one‐atom‐thick planar layers, has achieved the coexistence of sp‐ and sp2‐hybridized carbon atoms in a 2D planar structure. In contrast to the prevailing carbon allotropes, GDY possesses Dirac cone structures, which endow it with unique chemical and physical properties, including an adjustable inherent bandgap, high‐speed charge carrier transfer efficiency, and excellent conductivity. Additionally, GDY also displays great potential in photocatalysis, rechargeable batteries, solar cells, detectors, and especially electrocatalysis. In this work, various GDY‐supported electrocatalysts are described and the reasons why GDY can act as a novel support are analyzed from the perspective of molecular structure, electronic properties, mechanical properties, and stability. The various electrochemical applications of GDY‐supported electrocatalysts in energy conversion such as hydrogen evolution reaction, oxygen evolution reaction, oxygen reduction reaction, overall water splitting, and nitrogen reduction reaction are reviewed. The challenges facing GDY and GDY‐based materials in future research are also outlined. This review aims at providing an in‐depth understanding of GDY and promoting the development and application of this novel carbon material.

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“…Similar to individual graphene layers, the graphdiyne layers can form graphdiyne nanotubes by twisting from the edge of the “zigzag” or “armchair”-type nanoribbons [ 47 ]. Examples of the armchair graphdiyne nanotubes are shown in Figure 18 .…”

Section: Actuators With Graphdiyne Electrodesmentioning

confidence: 99%

Ionic EAP Actuators with Electrodes Based on Carbon Nanomaterials

et al. 2021

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Flexible polymer-based actuators, often also called artificial muscles, are an essential part of biomimetic systems that mimic the movement principles of animal world creatures. The most used electrode material to force the actuator move is an ensemble of noble metal nanoparticles in the electroactive polymer surface. Noble metal electrodes have enough electrical conductivity and elasticity and are not subjected to oxidation. However, high cost of such electrodes and their tendency to cracking dictate the need for searching other materials, primarily carbon ones. The review considers several options for this search. For example, carbon nanotubes and graphene have excellent properties at the level of a single individually taken nanotube or graphene sheet. However, conservation of these properties in structurally imperfect film electrodes requires a separate study. In addition, there are problems of compatibility of such electrodes with the polymers that requires cumbersome technologies, e.g., hot pressing, which complicates the production of the actuator as a whole. The review concerns the technology options of manufacturing actuators and the results obtained on their basis, both including hot pressing and avoiding this procedure. In particular, the required level of the graphene oxide reduction in hydrazine provides sufficient adhesion at rather high electrical conductivity of the graphene film. The ability to simultaneous achieving these properties is a nontrivial result, providing the same level of actuation as with expensive noble metal electrodes. Actuators that additionally require greater lifetime resource should be obtained in other ways. Among them are using the graphdiyne electrodes and laser processing of the graphene electrodes.

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Computational study of edge configuration and the diameter effects on the electrical transport of graphdiyne nanotubes

Cited by 30 publications

References 45 publications

Developments in Synthesis and Potential Electronic and Magnetic Applications of Pristine and Doped Graphynes

Developments in Synthesis and Potential Electronic and Magnetic Applications of Pristine and Doped Graphynes

Graphdiyne: A Rising Star of Electrocatalyst Support for Energy Conversion

Ionic EAP Actuators with Electrodes Based on Carbon Nanomaterials

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