Ag (111) surface for ambient electrolysis of nitrogen to ammonia.

In this paper, the reaction process of N convert to NH catalyzed by Ag (111) surface was obtained through the construction of Ag (111) surface and computational simulation. The charge transfer in the reaction process and the change of N≡N bond length are described. Since the N reduction reaction (NRR) usually occurs under alkaline solution conditions, we calculated and described the coexistence of OH* and N.