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arXiv · 2507.20724

Chemical capacitor: its concept, functionalities and limits

Łukasz Wolański·Dawid Ciszewski·Piotr Szkudlarek·José Lorenzana·Wojciech Grochala
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Abstract

We use density functional theory calculations to study simple but diverse stoichiometries within the novel chemical capacitor (CC) setup. We look at main effects occurring in this device, extremes of the physicochemical properties, and we study limits of applicability of this nano-object. In the cases studied, CC permits achieving charge transfer of up to 1.74 e per atom. Tuning of the charge transfer may be achieved via judicious choice of chemical constituents of the CC as well as use of a ferroelectric material as a separator layer. Different classes of chemical systems may be doped, including metallic and nonmetallic elements, and chemical compounds, in certain cases leading to the appearance of superconductivity.

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Łukasz Wolański, Dawid Ciszewski, Piotr Szkudlarek, José Lorenzana, Wojciech Grochala. 2025-07-28. Chemical capacitor: its concept, functionalities and limits. https://doi.org/10.1039/d5cp02898a

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