QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: Tufan on April 1, 2016, 12:29

Title: Work function calculation of Graphene and CNT
Post by: Tufan on April 1, 2016, 12:29

How to calculate work function of Graphene and carbon nanotube.

Title: Re: Work function calculation of Graphene and CNT
Post by: zh on April 2, 2016, 10:03

You can follow the calculations steps of work function for metal.
Work function = vacuum level - Fermi energy.

Title: Re: Work function calculation of Graphene and CNT
Post by: Jess Wellendorff on April 4, 2016, 09:48

Tutorials on work function calculations:
http://docs.quantumwise.com/tutorials/work_function_ag_100.html (http://docs.quantumwise.com/tutorials/work_function_ag_100.html)
http://docs.quantumwise.com/tutorials/work_function_tuning.html (http://docs.quantumwise.com/tutorials/work_function_tuning.html)