Ionic Conductance of Carbon Nanotubes: Confronting Literature Data with Nanofluidic Theory

Manghi, Manoel; Palmeri, John; Henn, F.; Noury, Adrien; Picaud, Fabien; Herlem, Guillaume; Jourdain, Vincent

doi:10.1021/acs.jpcc.1c08202

Cited by 9 publications

(14 citation statements)

References 52 publications

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“…For SWCNTs ( d = 2.2 nm), the measured ion conductance exhibited a strong deviation from the linear relationship with KCl solution concentration (Figure c) that is typically displayed by ideal nanochannels at high salinity. This deviation is consistent with previous reports on small diameter CNTs. − For CNTs, sublinear ion-conductance scaling of G ∼ c s m (with G and c s representing ionic conductance and solution concentration) has been reported with exponents in the range 0 < m < 1. This power-law exponent m can exhibit different values as parameters such as slip length, electroosmotic effects, surface-charge density, solution pH, and surface p K change.…”

Section: Results and Discussionsupporting

confidence: 92%

Ion and Hydrodynamic Translucency in 1D van der Waals Heterostructured Boron-Nitride Single-Walled Carbon Nanotubes

Cetindag,

Park,

Buchsbaum

et al. 2023

ACS Nano

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An unresolved challenge in nanofluidics is tuning ion selectivity and hydrodynamic transport in pores, particularly for those with diameters larger than a nanometer. In contrast to conventional strategies that focus on changing surface functionalization or confinement degree by varying the radial dimension of the pores, we explore a unique approach for manipulating ion selectivity and hydrodynamic flow enhancement by externally coating single-walled carbon nanotubes (SWCNTs) with a few layers of hexagonal boron nitride (h-BN). For van der Waals heterostructured BN-SWCNTs, we observed a 9-fold increase in cation selectivity for K+ versus Cl– compared to pristine SWCNTs of the same 2.2 nm diameter, while hydrodynamic slip lengths decreased by more than an order of magnitude. These results suggest that the single-layer graphene inner surface may be translucent to charge-regulation and hydrodynamic-slip effects arising from h-BN on the outside of the SWCNT. Such 1D heterostructures could serve as synthetic platforms with tunable properties for exploring distinct nanofluidic phenomena and their potential applications.

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Section: Results and Discussionsupporting

confidence: 92%

Ion and Hydrodynamic Translucency in 1D van der Waals Heterostructured Boron-Nitride Single-Walled Carbon Nanotubes

Cetindag,

Park,

Buchsbaum

et al. 2023

ACS Nano

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“…There is no compelling proof that the alteration of surface material can modify the structure and dynamics of confined water and hence water transport. , Whether the observed structure of confined water is peculiar to carbon materials is however yet to be investigated. The observed structuring of confined water is seen to be diameter dependent and is independent of water model. ,, Studies of Nakamura et al demonstrated that depending on CNT diameter size, all the water models commonly show the peculiar behavior during confinement. It was shown that the impact of water model on unusual behavior of confined water is quite significant for CNT diameter range of ∼1.1–1.2 nm, beyond that no considerable change due to differential water models was noticed.…”

Section: Introductionmentioning

confidence: 90%

“…The observed structuring of confined water is seen to be diameter dependent and is independent of water model. 41,58,59 Studies of Nakamura et al 58 demonstrated that depending on CNT diameter size, all the water models commonly show the peculiar behavior during confinement. It was shown that the impact of water model on unusual behavior of confined water is quite significant for CNT diameter range of ∼1.1−1.2 nm, beyond that no considerable change due to differential water models was noticed.…”

Section: Introductionmentioning

confidence: 99%

Uniqueness of Nanoscale Confinement for Fast Water Transport: Effect of Nanotube Diameter and Hydrophobicity

Sahu,

Ali

2023

J. Phys. Chem. B

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Inspired by the enhanced water permeability of carbon nanotubes (CNTs), molecular dynamics simulations were performed to investigate the transport behavior through nanotubes made of boron nitride (BNNT), silicon carbide (SiC), and silicon nitride (SiN) alongside carbon nanotubes (which have different hydrophobic attributes) considering their implication for reverse osmosis (RO) membranes under different practical environments. According to our findings, not only do CNTs but also other kinds of nanotubes exhibit transition anomalies with increasing diameter. Utilizing the robust twophase thermodynamic (2PT) methods, the current examinations shed light on thermodynamic origin of favorable water filling of these nanotubes. The results show that regardless of the nanotube material, the filling of water inside small nanopores (d < 10 Å) as well as within pores of diameter larger than 15 Å will always be favored by the entropy of filling. However, the entropic preference for filling nanotubes with a diameter of 10−15 Å depends on the constituent material. In particular, the enhancement in total entropy of confined water was mainly due to the increased rotational freedom of confined water molecules. The thermodynamic origin of water transport was correlated with the structural and fluidic behavior of water inside these nanotubes. The observed data for density, flow, structure correlation functions, water−water coordination, tetrahedral order parameter, hydrogen bonds, and density of states functions quantitatively support the observed entropy behavior. Of critical importance is that the present study demonstrates the effectiveness of RO filtration using nanotubes of boron nitride rather than carbon. Furthermore, it was found that one should avoid the use of silicon nanotubes unless filtration needs to be performed under harsh environments where nanotube of other materials cannot survive. Specifically, the results show that both the structural and dynamic properties of water confined in BNNTs are similar to those of CNT's, and for SiNT it is similar as SiC. Our results show that besides the nanotube material, the chirality index of the nanotube also plays a significant role in determining the structure, dynamics and thermodynamics of confined water molecules

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“…This phenomenon, known as the memristor effect, can be harnessed to build an elementary neuron. Furthermore, recent experiments and simulations have addressed some common results, such as the linear relationship between the ion flux and electric field or pressure difference, the linear or power law relation between the ion flux and salt concentration, and the linear relationship between the ion flux and temperature. − Thereby, the dynamic behavior of ion conduction through nanochannels has become an ongoing area of active research, which opens new possibilities for the design of novel nanofluidic devices, ranging from electropumping to desalination. − …”

Section: Introductionmentioning

confidence: 99%

Promoting Electroosmotic Water Flow through a Carbon Nanotube by Weakening the Competition between Cations and Anions in a Lateral Electric Field

Zhang

Liu

2022

Langmuir

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Understanding the electroosmotic flow through a nanochannel is essential to the design of novel nanofluidic devices, ranging from desalination to nanometer water pumps. Nonetheless, the competition between cation and anion in electric fields inevitably leads to a limited pumping of water, and thus weakening their competition could be a new avenue for the fundamental control of water transport. In this work, through a series of molecular dynamics simulations, we find a surprising phenomenon in which under the drive of a traditional longitudinal electric field, an additional lateral electric field can significantly weaken the competitive transport of a cation and anion through a carbon nanotube, which spontaneously leads to a massive increase in electroosmotic water flux. Specifically, with the increase in the lateral electric field, the anion flux exhibits an almost linear reduction, and the cation flux is stable and can even be enhanced. As a result, the net water flux along the cation direction increases significantly. The key to this unexpected phenomenon lies in the size and mobility difference between the cation and anion. The anion is larger and has greater mobility and is thus more susceptible to the lateral electric field, which ultimately leads to the reduction of its flux. For different ion types and CNT lengths, we can observe similar electropumping phenomenon, where the friction force induced by the lateral electric field becomes nontrivial for long CNTs. Our results provide a new route to tune the competitive transport of cations and anions and should be useful for the design of novel electroosmotic pumps.

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Ionic Conductance of Carbon Nanotubes: Confronting Literature Data with Nanofluidic Theory

Cited by 9 publications

References 52 publications

Ion and Hydrodynamic Translucency in 1D van der Waals Heterostructured Boron-Nitride Single-Walled Carbon Nanotubes

Ion and Hydrodynamic Translucency in 1D van der Waals Heterostructured Boron-Nitride Single-Walled Carbon Nanotubes

Uniqueness of Nanoscale Confinement for Fast Water Transport: Effect of Nanotube Diameter and Hydrophobicity

Promoting Electroosmotic Water Flow through a Carbon Nanotube by Weakening the Competition between Cations and Anions in a Lateral Electric Field

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