Potential of monolayer charge

• DOI: 10.48550/arxiv.2301.13681
• Publication Date: 2023-01-01
• Authors: Heigo Ers; Ritums Cepitis; Vladislav Ivaništšev
• Keywords: Ionic potential; Charge density; Surface charge

We introduce the potential of monolayer charge (PMC) as a new milepost in electrical double-layer (EDL) studies. have estimated PMC values for interfaces Au(111) and set frisbee-shaped polycyclic heteroaromatic hydrocarbon ions using density functional theory (DFT) calculations. The results suggest that increasing area allows formation ionic monolayers at experimentally achievable potentials. provide an analytical expression between ion area, surface--ion distance, charge, corresponding value to guide experimental verification. Further computational investigations reference will contribute developing fundamental electrochemistry establishing interfacial electrophysics.