Electronic and mechanical properties of (6,1) single-walled carbon nanotubes with different tube diameters: a theoretical study

Singh, Y. T.; Patra, P. K.; Obodo, Kingsley Onyebuchi; P., D.

doi:10.1007/s42823-021-00274-x

Cited by 9 publications

(2 citation statements)

References 71 publications

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“…Many applications of CNTs, such as in nanoscale molecular electronics, sensing and actuation devices, or as reinforcing additive fibers in functional composite materials, have been proposed [86] . Molecular dynamics simulations and quantum transport theory are employed to study the electronic properties of various CNTs in zig-zag and armchair and chiral under uniaxial compression and tensile strains [ 87 , 88 ]. It is found that the transfer integral decreases as the tensional strain increases [ 89 , 90 ].…”

Section: Background About the Ligands And Receptorsmentioning

confidence: 99%

Interactions between carbon nanotubes and external structures of SARS-CoV-2 using molecular docking and molecular dynamics

Lobato

Arouche

Nero

et al. 2023

Journal of Molecular Structure

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Section: Background About the Ligands And Receptorsmentioning

confidence: 99%

Interactions between carbon nanotubes and external structures of SARS-CoV-2 using molecular docking and molecular dynamics

Lobato

Arouche

Nero

et al. 2023

Journal of Molecular Structure

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“…2,3 Many low dimensional materials having promising properties have already been studied for their extensive applications. [4][5][6][7][8][9][10][11] Furthermore, implantation of defects at the atomic site in low dimensional materials is also known to improve the optoelectronic properties and intense research works have been done through both theory and experiment, [12][13][14] opening a promising area for future nanodevices.…”

Section: Introductionmentioning

confidence: 99%

Defect induced magnetism on SiC monolayer

2023

Sci Vis

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Using spin-polarized density functional theory, magnetic induction by means of vacancy defect was studied on SiC monolayer. While pristine SiC monolayer is found to be a semiconductor with a direct band gap of 2.64eV, vacancy of both Si and C defect transforms it into metallic ferromagnetic material. Calculated magnetization density shows that Si vacancy results in a magnetic moment of while C vacancy results to a magnetic moment of . Observations reveals that magnetism mostly arises from the unpaired electrons that arise as a result of the removed Si/C atom and spin asymmetry arises mainly from the p-orbitals of Si/C as a result of vacancy. Our result shows that magnetism can be introduced in SiC monolayer effectively using vacancy defect and can further be altered depending on the type of defect

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MXenes/CNTs-based hybrids: Fabrications, mechanisms, and modification strategies for energy and environmental applications

Jiang,

Li,

Ding

et al. 2023

Nano Res.

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Electronic and mechanical properties of (6,1) single-walled carbon nanotubes with different tube diameters: a theoretical study

Cited by 9 publications

References 71 publications

Interactions between carbon nanotubes and external structures of SARS-CoV-2 using molecular docking and molecular dynamics

Interactions between carbon nanotubes and external structures of SARS-CoV-2 using molecular docking and molecular dynamics

Defect induced magnetism on SiC monolayer

MXenes/CNTs-based hybrids: Fabrications, mechanisms, and modification strategies for energy and environmental applications

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