QuantumATK Forum
QuantumATK => General Questions and Answers => Topic started by: Akash Ramasamy on June 8, 2023, 12:11
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Greetings everyone,
As per the literature survey, for NO, NO2, and NH3 adsorption on pristine WS2, the adsorption energy range stated between -0.1 to -0.4 eV. But in our case, we are getting nearly -3 eV. So what will be the reason and what I can do?
Ref. J. Chem. Phys. 142, 214704 (2015)