Strains induced in carbon nanotubes due to the presence of ions: Ab initio restricted Hatree–Fock calculations

Ghosh, Sibasish; Gadagkar, Vikram; Sood, Anil K.

doi:10.1016/j.cplett.2005.02.088

Cited by 32 publications

(21 citation statements)

References 22 publications

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“…To be more specific, the solvent molecules that had self-assembled into a 2D monolayer annular coating around the CNT would experience a pinning potential towards the nanotube surface, [117] exerted by the adsorbed ionic species (e.g., depicted here as cations, without loss of generality, Fig. 3a).…”

Section: Stick-slip Thermal Activation 222mentioning

confidence: 99%

Direct Electricity Generation Mediated by Molecular Interactions with Low Dimensional Carbon Materials—A Mechanistic Perspective

Liu

Zhang

Cottrill

et al. 2018

Advanced Energy Materials

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Next generation off-the-grid electronic systems call for alternative modes of energy harvesting. The past two decades have witnessed the evolution of a wide spectrum of low dimensional carbon materials with extraordinary physical and chemical properties, ideal for micro-scale electrical energy storage and generation. Tremendous progress has been made in harnessing the energy associated with the interactions between these nano-structured carbon substrates and the surrounding molecular phases, subsequently converting them into useful electricity. This review summarizes the important theoretical and experimental milestones the field has reached to date, and further classifies these energy harvesting processes based on underlying physics, into five mechanistically distinct classesphonon coupling, Coulombic scattering, electrokinetic streaming, asymmetric doping, and capacitive discharging. With a special mechanistic focus, the authors hope to resolve the fundamental attributes shared by this diverse array of molecular scale energy harvesting schemes, offer perspectives on key challenges, and ultimately establish design principles that guide further device optimization.

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Section: Stick-slip Thermal Activation 222mentioning

confidence: 99%

Direct Electricity Generation Mediated by Molecular Interactions with Low Dimensional Carbon Materials—A Mechanistic Perspective

Liu

Zhang

Cottrill

et al. 2018

Advanced Energy Materials

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“…One material with the potential to meet these challenging aims was randomly discovered in experiments as flexible electrodes for EAP applications. A paper of randomly oriented carbon nanotubes showed active strain at low activation voltage 5 of < ±5V in combination with theoretically high achievable active strains 1% 6,7 . Further research on CNTs as actuators is inspired by their extraordinary electro-mechanical properties such as Young's modulus of 1TPa 8 or the thermal and electrical conductivities 9 (e.g.…”

Section: Introductionmentioning

confidence: 97%

Strain measurements on scattered, highly oriented CNTs

et al. 2013

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Since carbon nanotubes (CNTs) have been discovered in 1991, worldwide scientific research reveals excellent properties. Most of the found properties refer to almost defect-free, single-walled carbon nanotubes (SWCNTs) with nano-scale dimensions. However, scientists try to incorporate CNTs into applications to transfer their features in order to push the specific performance. Typically the results are comparably lower than expected because of the varying quality of used CNTs. This paper presents results of research using CNTs as actuators. In contrast to published paper which analyzed architectures of entangled CNTs as active components, like papers or yarns, to measure their bulk-strain this paper focuses on scattered, highly aligned CNTs. This approach promises to clarify the effect of actuation, whether it is a quantum-mechanically, or rather an combined electrostatic volume-transfer effect. Two experimental set-ups are presented. The first experiment is carried out using highly aligned multi-walled CNTs (MWCNT-arrays). Their orientation is investigated intensively in comparison to other analyzed CNT-arrays. Furthermore their substrate consists of electrical conductive carbon. The CNTarray is optically analyzed along the longitudinal geometry of the vertically aligned MWCNTs. The interfaces of the set-up, which may influence the measurement, have been analyzed in order to avoid second-order effects like thermal swelling or chemical degradation. The results reveal comparable high deflections starting at an activationvoltage of ±1.75V. The ionic liquid is tested within a voltage-range of ±2V due to time-staple performance. The second presented results are found by using Raman-spectroscopy to analyze single SWCNTs. This paper presents the first results of the challenging test campaign to analyze single-walled nanotubes within an electrolyte during charging. A shifting of Raman-peaks according to the wavenumber can be directly attributed to a geometrychange. Thus, the two presented experiments uses aligned CNTs a driving actuation mechanism of single CNTs may be identified.

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“…Binding energies tend to depend on the configuration, i.e., on being odd or even for the chiral vector (m,0), rather than on the diameter size. Sood et al [29] theoretically showed that the presence of ions near the armchair CNT causes a small charge transfer from the ions to the nanotubes as well as changes the p-p overlap energy. They found that the developed strains are primarily due to the electrostatic interactions with only a small contribution from the charge transfer.…”

Section: Introductionmentioning

confidence: 99%

The influence of cations and anions on some structural and electronic properties of single-walled zigzag boron nitride and aluminum nitride nanotubes: a computational study

2015

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The influence of ions on the structural and electronic properties of single-walled zigzag boron nitride and aluminum nitride nanotubes has theoretically been investigated by inserting cations and anions into the center of the nanotube. The natural bond orbital analysis and the Bader's quantum theory of atoms in molecules were also used to elucidate the characteristics of these complexes. The variations of geometrical parameters, complexation energy, HOMO-LUMO gap, isodensity surfaces of the HOMO and LUMO, radial buckling, electrophilicity index, electronic chemical potential, chemical hardness and softness have been calculated in the presence of ions.

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Strains induced in carbon nanotubes due to the presence of ions: Ab initio restricted Hatree–Fock calculations

Cited by 32 publications

References 22 publications

Direct Electricity Generation Mediated by Molecular Interactions with Low Dimensional Carbon Materials—A Mechanistic Perspective

Direct Electricity Generation Mediated by Molecular Interactions with Low Dimensional Carbon Materials—A Mechanistic Perspective

Strain measurements on scattered, highly oriented CNTs

The influence of cations and anions on some structural and electronic properties of single-walled zigzag boron nitride and aluminum nitride nanotubes: a computational study

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