An approach for quantum capacitance of graphene, carbon nanotube, silicene and hexagonal boron nitride nanoscale supercapacitors by non-equilibrium Green’s function method
FlatChem Volume 31, 100313, January 2022
Developed Python codes as input files to QuantumATK for some steps and Matlab code for the quantum capacitance with fixed band approximation are available as a Case Study for graphene system as the following steps:
Step2 Band structures & Density of States (DOS)
Step3 Contact Distances by Mulliken Charge Analysis
Step4 Layer Distances by Quantum Capacitance Calculations
Step5 Capacitance and Current Calculations
Group members:
Prof. Dr. Hatice Kökten
Please cite the following paper in any published work if you utilize any of the supplied resources in that page.
FlatChem 31, 100313, 2022 Bibtex
Last Updated: March 20, 2022