Hysteresis in the MD Simulations of Differential Capacitance at the Ionic Liquid-Au Interface

• Type: Article in International Scientific Journal
• Date: 2020

Authors

Voroshylova, IV (Author) FCUP; Ers, H (Author) Other; Docampo Alvarez, B (Author) Other; Pikma, P (Author) Other; Ivanistsev, VB (Author) Other; Natalia N D S Cordeiro (Author) FCUP

Journal

Title: Journal Of Physical Chemistry Letters

Vol. 11

ISSN: 1948-7185

Publisher: American Chemical Society

Indexing

ISI Web of Knowledge - 7 Citations

Scopus - 7 Citations

Other information

Authenticus ID: P-00T-7YQ

DOI: 10.1021/acs.jpclett.0c03212

Abstract (EN): In this Letter, we report the first observation of the capacitance-potential hysteresis at the ionic liquid vertical bar electrode interface in atomistic molecular dynamics simulations. While modeling the differential capacitance dependence on the potential scan direction, we detected two long-living types of interfacial structure for the BMImPF(6) ionic liquid at specific charge densities of the gold Au(111) surface. These structures differ in how counterions overscreen the surface charge. The high barrier for the transition from one structure to another slows down the interfacial restructuring process and leads to the marked capacitance-potential hysteresis.

Language: English

Type (Professor's evaluation): Scientific

No. of pages: 6