Somshekhar Puranmath

2 Questions 3 Answers 0 Followers

Questions related from Somshekhar Puranmath

What does positive and negative adsorption energy idicates. How is binding enrgy diffrent from adsorption energy?

I am studying adsorption of certain gas on material like graphite. i have calculated the adsorption energy using Quantum expresso VC-relax simulation. Certain values are +ve and few are -ve....

06 June 2018 2,493 8 View

How to model adsorption in quantume expresso?

i want to study adsorption of certain gas molecules on nano-materials. How to go about this with quantum expresso. How to identify the adsorption sites, and are there any models which will give me...

05 May 2018 2,858 0 View