On the capacitance of narrow nanotubes

文献情報

出版日 2017-07-06

DOI 10.1039/C7CP03090H

インパクトファクター 3.676

著者

Wolfgang Schmickler, Douglas Henderson

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要旨

The storage of ions in narrow nanotubes is investigated by grand-canonical Monte Carlo simulations. The interaction between the ions is screened by the image charge on the wall of the tube, but at close distances it is still much larger than the thermal energy. Depending on the electrochemical potential imposed by the contact with an electrolyte solution, two different regimes can be distinguished at the potential of zero charge: for low values corresponding to an ionophobic pore the tube is almost empty; for high values – ionophilic pore – a one dimensional salt is formed. The two regions are separated by a narrow transition zone marked by strong fluctuations. Depending on the regime and on the value assumed for the dielectric constant, the interfacial capacity shows four, two, or in rare cases three maxima. The results are compared to a reference system of non-interacting ions, and discussed with respect to recent calculations within classical density functional theory.

掲載誌

Physical Chemistry Chemical Physics

CiteScore: 5.5

自己引用率: 10.3%

年間論文数: 3036

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.

On the capacitance of narrow nanotubes

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