Nanotubes for charge storage – towards an atomistic model

Mohammadzadeh, Leila; Goduljan, Aleksej; Juárez, Fernanda; Quaino, Paola; Santos, Elizabeth; Schmickler, Wolfgang

doi:10.1016/j.electacta.2014.12.031

Cited by 33 publications

(57 citation statements)

References 30 publications

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“…The image charges on the tube of the wall produced the expected reduction of the Coulomb potential along the axis of the tube. Our own group has investigated ions in narrow nanotubes at the atomic level, and performed density functional theory (DFT) calculations for a series of alkali and halide ions in carbon and gold nanotubes [7,8]. We confirmed the screening mechanism proposed by Kondrat and Kornyshev and added important details.…”

Section: Introductionsupporting

confidence: 71%

“…Therefore, at the minimum energy each ion has the same energy (N) = U(d), and for a given number N the energy of the ensemble is N (N). Figure 2 shows the potential U(x) for two different tubes: a (10,0) CNT (carbon nanotube) and an (8,8) Au NT (nanotube).…”

Section: A Model For a Chain Of Ions In A Nanotubementioning

confidence: 99%

“…We have performed calculations for two different systems, which we have treated in a recent publication [8]: (1) a (10,0) carbon nanotube (CNT) with a radius of R = 0.395 nm and an effective image radius of R im = 0.238 nm; (2) a (8,8) gold nanotube (AuNT) with R = 0.366 nm and R im = 0.178 nm. The radii are measured from the center of the tubes to the position of the carbon or gold cores.…”

Section: Model Calculationsmentioning

confidence: 99%

“…The charge of the ions is balanced by a counter charge on the wall of the tube. The ions repel each other by a screened Coulomb interaction, which we have previously obtained from DFT calculations [7,8]. We denote by U(x) the screened potential generated by one particular ion along the axis, x being the distance from the ion.…”

Section: A Model For a Chain Of Ions In A Nanotubementioning

confidence: 99%

See 3 more Smart Citations

A simple model for charge storage in a nanotube

Schmickler

2015

Electrochimica Acta

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Section: Introductionsupporting

confidence: 71%

Section: A Model For a Chain Of Ions In A Nanotubementioning

confidence: 99%

Section: Model Calculationsmentioning

confidence: 99%

Section: A Model For a Chain Of Ions In A Nanotubementioning

confidence: 99%

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A simple model for charge storage in a nanotube

Schmickler

2015

Electrochimica Acta

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“…However, the concept of electric field penetration is only physical for bulk materials and not applicable for 2D materials such as single-layer graphene slit pores and carbon nanotubes, where the material is only one atom thick. Nonetheless, a phenomenological approach based on introducing an effective pore radius or width has been successfully used in [13] to fit detailed simulation data for the interaction potential between ions in single-layer gold and carbon nanotubes.…”

mentioning

confidence: 99%

Quantum capacitance modifies interionic interactions in semiconducting nanopores

Lee¹,

Vella²,

Goriely³

2016

EPL

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-Nanopores made with low dimensional semiconducting materials, such as carbon nanotubes and graphene slit pores, are used in supercapacitors. In theories and simulations of their operation, it is often assumed that such pores screen ion-ion interactions like metallic pores, i.e. that screening leads to an exponential decay of the interaction potential with ion separation. By introducing a quantum capacitance that accounts for the density of states in the material, we show that ion-ion interactions in carbon nanotubes and graphene slit pores actually decay algebraically with ion separation. This result suggests a new avenue of capacitance optimization based on tuning the electronic structure of a pore: a marked enhancement in capacitance might be achieved by developing nanopores made with metallic materials or bulk semimetallic materials.Introduction. -Confinement of ions in nanostructures underpins the physics of many new electrochemical devices, ranging from supercapacitors [1] to field effect transistors [2]. These nanostructures are usually porous semiconducting materials such as carbon nanotubes or graphene slit pores. Early experiments have shown that electrodes made with porous carbide-derived-carbon deliver large volumetric capacitance as the pore-size (which can be precisely controlled) approaches the ion size [3][4][5]. This increase in capacitance cannot be rationalised by surface area enhancement alone, leading to the general hypothesis that the electronic structure of the electrodes significantly modifies the Coulomb interaction between ions [6,7].

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