QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: Jahanzaib on October 15, 2022, 14:44

Title: Hydrogen passivation
Post by: Jahanzaib 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

Title: Re: Hydrogen passivation
Post by: Anders Blom 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