« previous next »
Pages: [1]   Go Down

Author Topic: Modelling GraphAne  (Read 3752 times)

0 Members and 1 Guest are viewing this topic.

Offline Rajib

  • Regular QuantumATK user
  • **
  • Posts: 12
  • Country: gb
  • Reputation: 0
    • View Profile
    • Rajib Chowdhury
Modelling GraphAne
« on: January 12, 2011, 01:31 »
Dear All,

I would like to know about the possibility of modelling of graphAne (fully or partly passivated hydrogen) using custom builder in ATK 2010.8.
 
Advance thanks in any feedback.

Rajib
Logged

Offline zh

  • Supreme QuantumATK Wizard
  • *****
  • Posts: 1141
  • Reputation: 24
    • View Profile
Re: Modelling GraphAne
« Reply #1 on: January 12, 2011, 16:55 »
Once the pure graphene is created using the "Custom builder", one can easily add the passivated hydrogen atoms on the top of selective carbon atoms in a manual manner, and then optimize the atomic coordinates.
Logged
Pages: [1]   Go Up
« previous next »