Investigating the asymmetry in the EDL response of C60/graphene supercapacitors

2019 ◽  
Vol 21 (28) ◽  
pp. 15362-15371 ◽  
Author(s):  
Eudes Eterno Fileti ◽  
Guilherme Colherinhas
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Effective Area ◽  
Composite Electrodes ◽  
Graphene Composite ◽  
The Asymmetry ◽  
And Performance ◽  
Dynamics Simulations ◽  
Model C

Molecular dynamics simulations were employed to model C60/graphene composite electrodes that can expand the effective area and performance of supercapacitors.

Salt-in-water and water-in-salt electrolytes: The effects of the asymmetry in cation and anion valence on its properties

2021 ◽  
Author(s):  
Andresa Messias ◽  
Débora Ariana Corrêa da Silva ◽  
Eudes E. Fileti
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Ion Pairs ◽  
Structural Dynamic ◽  
Electrostatic Properties ◽  
The Asymmetry ◽  
Dynamics Simulations

We investigated the structural, dynamic, energetic, and electrostatic properties of electrolytes based on the ion pairs LiCl and Li2SO4. Atomistic molecular dynamics simulations were used to simulate these aqueous electrolytic...

Acceleration of molecular dynamics simulation of multiphase systems on GPU

2012 ◽  
Vol 9 (2) ◽  
pp. 76-79
Author(s):  
D.F. Marin
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Molecular Dynamics Simulations ◽  
Intermolecular Interaction ◽  
Dynamics Simulation ◽  
Water Molecules ◽  
Lennard Jones ◽  
Multiphase Systems ◽  
And Performance ◽  
Dynamics Simulations

The paper presents results on acceleration of molecular dynamics simulations with the usage of GPUs. A system of water molecules is considered as an example of polar liquid. The intermolecular interaction is modeled with the usage of Coulomb and truncated Lennard-Jones potentials. Results of computational experiments on acceleration and performance of the developed code are presented.

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