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Author Topic: Calculating Quantum Capacitance  (Read 4136 times)

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Offline Shan

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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.
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Offline Petr Khomyakov

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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.   
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Offline zh

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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
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Offline Shan

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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.
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