research | Musanna Galib

Research Softwares

Dendrite Inhibition

This project focuses on solving one of the biggest bottlenecks of rechargeable metal batteries: short-circuiting.

2023

Engineering Chemo-Mechanical Properties of Zn Surfaces via Alucone Coating

Musanna Galib, Okan K. Orhan, and Mauricio Ponga

The Journal of Physical Chemistry C, 2023

Paper Link

Supercapacitor

This project focuses on the development and optimization of supercapacitors, a crucial technology for energy storage systems.

2024

Effects of Crumpling Stage and Porosity of Graphene Electrode on the Performance of Electrochemical Supercapacitor

Abrar Amin Khan, Sazid Noor Rabi, Tousif Jamee, and 3 more authors

The Journal of Physical Chemistry B, 2024

PMID: 39313986

Paper Link

2020

Electrode surface modification of graphene-MnO2 supercapacitors using molecular dynamics simulations

Musanna Galib, Mohammad Mozammal Hosen, Joyanta K. Saha, and 3 more authors

Journal of Molecular Modeling, Aug 2020

Abs Paper Link

In this study, molecular dynamics (MD) simulations have been performed to explore the variation of ion density and electric potential due to electrode surface modification. Two different surface morphologies, having planer and slit pore with different conditions of surface charge, have been studied for graphene-MnO2 surface using LAMMPS. For different pore widths, the concentration of ions in the double layer is observed to be very low when the surface of the graphene-MnO2 electrode is charged. With a view to identify the optimal pore size for the simulation domain considered, three different widths for the nano-slit type pores and the corresponding ion-ion interactions are examined. Though this effect is negligible for pores with 9.23 and 3.55 Å widths, a considerable increase in the ionic concentration within the 7.10 Å pores is observed when the electrode is kept neutral. The edge region of these nano-slit pores leads to effective energy storage by promoting ion separation and a significantly higher charge accumulation is found to occur on the edges compared to the basal planes. For the simulation domain of the present study, partition coefficient is maximum for a pore size of 7.10 Å, indicating that the ions’ penetration and movement into nano-slit pores are most favorable for this optimum pore size for MnO2-graphene electrodes with aqueous NaCl electrolyte.