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While investigating 'catalytic activity of MoS2 (monolayer) in hydrogen evolution reaction', what are the energy corrections that I am supposed to add in the DFT input (using Quantum ESPRESSO) to get meaningful results?

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  • $\begingroup$ Please fix the grammar. $\endgroup$
    – Nike Dattani - No Free Time
    Commented Mar 31 at 10:27
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    $\begingroup$ +1 But I don't understand your second part of the question, what do you mean by 'they'? $\endgroup$
    – Jaafar Mehrez
    Commented Apr 1 at 3:38
  • $\begingroup$ @jaafar-mehrez By 'they' i mean the 'peer reviewers' of publishing journal $\endgroup$
    – Joyal sunny
    Commented Apr 1 at 4:38
  • $\begingroup$ I removed the 2nd question because of the one question per post policy. $\endgroup$
    – Nike Dattani - No Free Time
    Commented Apr 1 at 5:58

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