Author Topic: Li adsorbed  (Read 2645 times)

0 Members and 1 Guest are viewing this topic.

Offline kishor

  • Regular QuantumATK user
  • **
  • Posts: 10
  • Country: in
  • Reputation: 0
    • View Profile
Li adsorbed
« on: January 8, 2015, 04:36 »
i want adsorbed Li on graphene i adsorbed like this
1. I take graphene zigzag nanoribbon
2. take Li (alpha hexogonal)
3. delete one Li atom
4.and move another one on zigzag nanoribbon(hallow site above centre of hexagonal)
5. optimize geometry
6. i get result where Li come on centre of hexagonal
7.is it right process to adsorbed Li on nanoribbon
Ans. please..

Offline rvgr

  • Heavy QuantumATK user
  • ***
  • Posts: 25
  • Country: in
  • Reputation: 0
    • View Profile
Re: Li adsorbed
« Reply #1 on: January 9, 2015, 09:43 »
pls reply.....