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

• Tipo: Artigo em Revista Científica Internacional
• Data: 2020

Autores

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

Revista

Título: Journal Of Physical Chemistry Letters

Vol. 11

ISSN: 1948-7185

Editora: American Chemical Society

Indexação

ISI Web of Knowledge - 7 Citações

Scopus - 7 Citações

Outras Informações

ID Authenticus: 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.

Idioma: Inglês

Tipo (Avaliação Docente): Científica

Nº de páginas: 6