Author

G. Colherinhas

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Open access Oct 2026

Multivalent-Cation Effects on the Interfacial Structure, Capacitance, and Energy Storage in Humid [Pyr14][TFSI] Graphene Supercapacitors: An Atomistic Molecular Dynamics Study

Water uptake alters the interfacial organization and charge storage response of ionic-liquid supercapacitors, but its effects in the presence of multivalent cations remain poorly understood. Here, atomistic molecular dynamics simulations were used to investigate dry N-butyl-N-methylpyrrolidinium bis(trifluoromethanes...

L. de S. Silva, L. B. Oliveira, T. L. Fonseca et al. · ACS Applied Engineering Mate... · 0 citations

Open access Sep 2026

Polarization-Driven Enhancement of Energy Storage in Fullerene-Doped Ionic-Liquid Graphene Supercapacitors

Classical molecular dynamics simulations were used to investigate the effect of fullerene C60 on the interfacial structure and electrostatic response of graphene-based supercapacitors containing the ionic liquid [Bmim][PF6]. Systems with different C60 loadings were analyzed within a fixed-charge framework, and polari...

Henrique de Araujo Chagas, T. L. Fonseca, G. Colherinhas · Journal of Physical Chemistr... · 0 citations

Open access Sep 2026

Intrinsically Charged Peptide Nanomembranes as Self-Organized Electrostatic Interfaces in Confined Ionic Liquids

Self-assembled biomolecular materials provide a promising route for designing soft, sustainable, and molecularly tunable electrostatic interfaces that are relevant to energy storage, iontronics, and bioinspired electrochemical systems. However, the molecular mechanisms by which charged peptide assemblies organize con...

K. Mendanha, T. L. Fonseca, G. Colherinhas · Langmuir · 0 citations