Author Topic: Calculating Quantum Capacitance  (Read 2580 times)

0 Members and 1 Guest are viewing this topic.

Offline Shan

  • QuantumATK Guru
  • ****
  • Posts: 101
  • Country: in
  • Reputation: 0
    • View Profile
Calculating Quantum Capacitance
« on: March 7, 2017, 14:22 »
How to calculate Quantum capacitance of a graphene sheet using ATK?
Can someone help me with this, plzz.

Thank you very much for your time.

Offline Petr Khomyakov

  • QuantumATK Staff
  • Supreme QuantumATK Wizard
  • *****
  • Posts: 1290
  • Country: dk
  • Reputation: 25
    • View Profile
Re: Calculating Quantum Capacitance
« Reply #1 on: March 7, 2017, 16:27 »
There is no standard feature in the ATK to do this kind of calculation. But I guess you may first calculate the density of states of a graphene sheet in the ATK to then get this capacitance in a post-processing manner.   

Offline zh

  • QuantumATK Support
  • Supreme QuantumATK Wizard
  • *****
  • Posts: 1141
  • Reputation: 24
    • View Profile
Re: Calculating Quantum Capacitance
« Reply #2 on: March 8, 2017, 00:43 »
Yes, you are right.   
For example, the following papers estimated the quantum  capacitance from density of states:
J. Phys. Chem. C 2015, 119, 6464−6470
J. Phys. Chem. C 2014, 118, 4 − 15

Offline Shan

  • QuantumATK Guru
  • ****
  • Posts: 101
  • Country: in
  • Reputation: 0
    • View Profile
Re: Calculating Quantum Capacitance
« Reply #3 on: March 8, 2017, 07:53 »
Thank you very much Dr. petr and Dr. Zh for the papers.
I will go through these papers and get back if there is any issue.

thank you.