Messages

1

General Questions and Answers / Re: Howto calculate the band structure of graphene numerically from the graph?

« on: June 6, 2012, 06:08 »

I agree with you. But I am asking about armchair garphene nanoribbon that shows some band gap. In addition to this, functionalized GNR also shows some band gap. So in that case how can we calculate the band gap numerically?
Second I also want to know what does the density of states interpret in case of graphene??

2

General Questions and Answers / Howto calculate the band structure of graphene numerically from the graph?

« on: May 15, 2012, 06:25 »

I am using ATK 11.2.2 and calculating the band structure of graphene. I just want to know the procedure of numerically calculating the value of band gap in graphene??

3

General Questions and Answers / attachment of OH ions to graphene nanoribbon

« on: March 27, 2012, 11:33 »

how OH ions can be attached for its application in buffer sysytem ?
I am workig with ATK 11.2.2
can anyone help me out.....

4

General Questions and Answers / alltachment of OH ions to graphene for application in buffer sysytem...

« on: March 7, 2012, 05:58 »

i want to know how the OH ions can be attached to the graphene nanoribbon?

5

General Questions and Answers / ZIF-8

« on: January 12, 2012, 07:21 »

I want to know how to build ZIF-8 MOF in VNL?