QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: kamalpreet on October 9, 2013, 08:35

Title: Regarding molecular junction geometry
Post by: kamalpreet on October 9, 2013, 08:35

I have read the tutorial of molecular junction, now I want to analyses the different molecule in the same geometry.but if i drop the another molecule in the same geometry some problem arises, like the molecule is much adsorbed in the electrodes and also the interfacing is improper.

So, how can i perfectly do the simulations with dropping the another molecule in the same geometry?Please help.

Title: Re: Regarding molecular junction geometry
Post by: huixiaodemao0712 on November 18, 2013, 01:55

Hi,

I'm new in ATK as well and I'm trying to learn how to build a molecular junction. There's a video about the "Building a molecular junction: Au-DTB-Au",which tell you
tep by step.Share it with you and hope it can help you to some extent
Website:
http://quantumwise.com/publications/tutorials/builder/172-building-a-molecular-junction-au-dtb-au

Linda Wang