Response surface optimization and finite element homogenization study of the effective elastic modulus and electrical conductivity of MXene-polypyrrole hybrid nanocomposite as electrode material for electronic energy storage devices.
Ezika, Anthony Chidi. Sadiku, Emmanuel Rotimi. Adekoya, Gbolahan Joseph. Hamam, Yskandar. Ray, Suprakas Sinha.
Ezika, Anthony Chidi.
Sadiku, Emmanuel Rotimi.
Adekoya, Gbolahan Joseph.
Hamam, Yskandar.
Ray, Suprakas Sinha.
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Abstract
Electrical energy storage devices are crucial for energy storage and distribution
purposes. MXene (MX), a 2D material, and conductive organic polymers, such
as polypyrrole (PPy), have been widely used as electrode material in electronic
energy storage devices. This work calculated the elastic modulus and the electrical
conductivity of a MX/PPy nanocomposite electrode using a finite element
model. Response Surface Methodology (RSM) was used to optimize the
electrical conductivity and elastic modulus response variables based on the
finite element (FE) simulation findings. By assigning appropriate weights to
these response factors in the optimization technique, the impacts of mass fraction
and aspect ratio (AR) of MX inclusion on the electrical conductivity values
and elastic modulus of the electrode were analyzed. When compared to the
experimental findings, the results demonstrated that the suggested finite element
model could provide a satisfactory estimate of the electrical conductivity
and elastic modulus of the electrodes made of MX and PPy. However, these
response variables might be optimized by using the response surface approach.
Therefore, when RSM was employed, both electrical conductivity and Youngs
modulus could be adjusted to close to their respective maximum optimal
values, with a predicted electrical conductivity of 474.33 S/m and an elastic
modulus of 3.24 GPa, at 50% mass fraction of the MX and the AR of 0.2. Based
on these results, if a MX/PPy nanocomposite electrode could be built to
achieve this modulus and electrical conductivity, such electrode would be a
viable material for metal-ion batteries.
Description
Date
2022-11-15
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Publisher
Wiley
Research Projects
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Keywords
DOE, Electrode material, Finite element, MXene, Polypyrrole, RSM