Author Topic: alltachment of OH ions to graphene for application in buffer sysytem...  (Read 1956 times)

0 Members and 1 Guest are viewing this topic.

Offline nanomanisha

  • Regular QuantumATK user
  • **
  • Posts: 5
  • Country: in
  • Reputation: 0
    • View Profile
i want to know how the OH ions can be attached to the graphene nanoribbon????

Offline zh

  • QuantumATK Support
  • Supreme QuantumATK Wizard
  • *****
  • Posts: 1141
  • Reputation: 24
    • View Profile
The termination of graphene ribbon edge by OH group has been well studied in literature. For such question, please check the literature.  e.g.:
http://prb.aps.org/abstract/PRB/v84/i19/e195438
http://pubs.acs.org/doi/full/10.1021/nl900561x
http://apl.aip.org/resource/1/applab/v94/i22/p223111_s1
« Last Edit: March 7, 2012, 13:41 by zh »

Offline Anders Blom

  • QuantumATK Staff
  • Supreme QuantumATK Wizard
  • *****
  • Posts: 5411
  • Country: dk
  • Reputation: 89
    • View Profile
    • QuantumATK at Synopsys
Depending on precisely what you want to do, this can be almost trivially done in the new Builder in ATK 12.2. I spent about 1 minute to build the system in the picture. It may need some optimization, however - I didn't carefully check the O-H distance.