QuantumATK Forum
Welcome,
Guest
. Please
login
or
register
.
Did you miss your
activation email
?
1 Hour
1 Day
1 Week
1 Month
Forever
Login with username, password and session length
News:
QuantumATK W-2024.09 version released on Sep 9, 2024
Home
Help
Search
Login
Register
QuantumATK Forum
»
QuantumATK
»
General Questions and Answers
»
Hydrogen passivation
« previous
next »
Print
Pages: [
1
]
Go Down
Author
Topic: Hydrogen passivation (Read 3366 times)
0 Members and 1 Guest are viewing this topic.
Jahanzaib
QuantumATK Guru
Posts: 103
Country:
Reputation: 3
Hydrogen passivation
«
on:
October 15, 2022, 14:44 »
I want to know the role of hydrogen passivation in device configuration.
I am using stanane nanoribbons so at the top and botton in B direction, If I or I don't passivate hydrogen will it effect the optimization?
Thank you
Logged
Anders Blom
QuantumATK Staff
Supreme QuantumATK Wizard
Posts: 5575
Country:
Reputation: 96
Re: Hydrogen passivation
«
Reply #1 on:
October 19, 2022, 03:01 »
Hard to write a deeper answer than this:
https://mattermodeling.stackexchange.com/questions/8480/when-to-use-pseudohydrogens-to-passivate-a-slab
Logged
Print
Pages: [
1
]
Go Up
« previous
next »
QuantumATK Forum
»
QuantumATK
»
General Questions and Answers
»
Hydrogen passivation