Madhu Raj

2 Questions 1 Answers 0 Followers

Questions related from Madhu Raj

How can i calculate diffusion barrier of Li ion on graphene nanoribon using SIESTA?

I'm a new siesta learner, I'm working on lithium-ion batteries, I have calculated adsorption energy but i am not able to calculate diffusion barrier of Li ion. kindly help me how to calculate...

15 January 2021 2,877 1 View

Incorrect bandstructure of zigzag ZnO ?

I'm a beginner in siesta code. I'm trying to simulate zigzag Zno structure using siesta. After optimization I found that Zn atoms form an unwanted bond which I think could be reason for incorrect...

04 January 2020 7,944 3 View