Abstract

Zahra Pournurouz

In this study,we determinated effects of changing nano metal crystal on the binding energy of hydrogen adsorption.by hydrogen adsorption modeling and gas molecule adsorption on Cu,Ag and Au nano metals. The calculated of DG(ads)( H2+metal) and how the adsorption may affect the entropy, adsorption energy and dipole moment of surface.

Adsorption; Hydrogen; Nano- Metal Crystal; Adsorption Energy

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