Zubair Al Ebad

2 Questions 3 Answers 0 Followers

Questions related from Zubair Al Ebad

Can anyone help me with Na+ ion over graphene interaction in siesta?

I have built a graphene slab over which placed a sodium ion. I have done pseudo potential correction in the ion but it seems to have no interaction with the graphene surface. In theory, the sodium...

13 June 2021 413 1 View

Can you help me out with a problem on charge density calculation using siesta?

I have placed some water molecules with Na Cl ions over a graphene surface to observe the changes in charge density of the surface. Using the Denchar utility, I find no changes with respect to the...

19 April 2021 8,311 4 View