Ionisation potential and electron affinity

[GJK]

Hi,

Both Ionisation potential and electron affinity calculations are very well explained for benzene molecule by removing charge(E+1) and adding charge (E-1)

Can we use the same procedure for graphene related studies where a biomolecule is adsorbed on graphene. Thus in this complex system by adding and removing charge can we use the same procedure provided for benzene to evaluate the electron affinity and ionisation potential

Your assistance will be highly grateful

[GJK]

Kindly answer my query

[zh]

You can try it. But you have to take caution that graphene is very special because it is zero-gap.

[Anders Blom]

There is no reason to post comments like "please answer my question". The question has been put, it will be answered when someone has time to look into it, which may be quickly for simple questions, or take longer for more complex ones, or it may take days or even weeks if people are on holiday or working on important tasks. You just have to be patient. And sometimes questions go unanswered because the answer should be better found in the standard literature or via online resources. People answering questions on this forum are not your thesis supervisors or personal mentors, and it's rude to demand answers promptly.