Chemical capacitor: its concept, functionalities and limits

TL;DR

This study explores the concept and capabilities of chemical capacitors using density functional theory, demonstrating their potential for high charge transfer, tunability, and inducing superconductivity in various chemical systems.

Contribution

It introduces the chemical capacitor concept, analyzes its functionalities and limits, and shows how to tune charge transfer and induce superconductivity through material choices.

Findings

Charge transfer up to 1.74 e per atom achieved.

Tuning charge transfer via chemical composition and ferroelectric layers.

Potential to induce superconductivity in doped chemical systems.

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.