« previous next »
Pages: [1]   Go Down

Author Topic: passivation of dangling bonds  (Read 4025 times)

0 Members and 1 Guest are viewing this topic.

Offline namrata

  • Regular QuantumATK user
  • **
  • Posts: 16
  • Reputation: 0
    • View Profile
passivation of dangling bonds
« on: October 25, 2009, 08:34 »
i wanted to know if there is some script to selectively passivate the dangling in the surface region of the electrodes ???
Logged

Offline zh

  • Supreme QuantumATK Wizard
  • *****
  • Posts: 1141
  • Reputation: 24
    • View Profile
Re: passivation of dangling bonds
« Reply #1 on: October 26, 2009, 01:36 »
Please try to use the "Molecular Builder" module in VNL to selectively passivate the dangling bond. In particular, use the Geometry Manager tool.
Logged
Pages: [1]   Go Up
« previous next »