QuantumATK Forum

QuantumATK => Scripts, Tutorials and Applications => Topic started by: simba on October 6, 2009, 23:15

Title: Modifying Structure of Graphene Junction Device
Post by: simba on October 6, 2009, 23:15

I am interested to know if it is possible to do the following on graphene junction device using atk-2009-06

1) dope the Graphene structure
2) have straight Graphene ribbon instead of zig-zag.
3) use multiple layers of Graphene
4) modifying the structure by introducing deffects chaning the distance by changing length between carbon atoms in the structure.

i was also wondering why molecular builder and bulk builder icosn are passive in this version.

Title: Re: Modifying Structure of Graphene Junction Device
Post by: Anders Blom on October 7, 2009, 02:22

Yes, all of this is possible.

The Bulk Builder has been implemented and will be active in the next release, it might take a bit longer for the Molecular Builder.