Krishna Chaitanya Gunturu

2 Questions 2 Answers 0 Followers

Questions related from Krishna Chaitanya Gunturu

Understanding Volmer and Tafel steps in DFT calculations for HER?

Hi all! I am a beginner in applying DFT methods for water splitting and hydrogen evolution reactions. I have gone through several published articles in this regard. After reading them, I am with...

30 November 2019 1,046 2 View

Understanding density of states (DOS) for open shell systems in water splitting reactions?

Dear all I am trying to calculate DOS for water splitting reactions on semi-conducting metal surface by using QUANTUM-ESPRESSO suite of programs. Whenever the reaction intermediate OH and H...

01 November 2018 2,253 1 View