QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: Tufan on June 29, 2015, 12:32

Title: MoS2 passivation
Post by: Tufan on June 29, 2015, 12:32

How to passivate MoS2 sheet by hydrogen?

Title: Re: MoS2 passivation
Post by: Umberto Martinez on June 29, 2015, 16:01

First please double check that this is meaningful: see here (http://quantumwise.com/forum/index.php?topic=2835.msg13101#msg13101) and here (http://quantumwise.com/forum/index.php?topic=1241.msg6068#msg6068) in the forum.

Given that you know what you are doing and the answers above, you can try to use the Custom Passivator plugin in coordinate tools.