A Simple Explanation on The Nobility of Gold Comparing to Other Metals: A First-Principles Study

We evaluate the reactivity of Au surface towards H2 and compared with Ag, Cu, Pt surfaces. The is represented by dissociation energy over each surface. Their energies were calculated based on DFT calculation PBE functional PAW pseudopotential. results show that most reactive, followed PDOS illustrates d-band center above Fermi level only which indicates it reactive H2. adsorbate charge shows Cu donates electrons, trailed Ag Au. This study concludes inert among other three metals. inertness a characteristic defines noble metal.