Element table of TM-substituted polyoxotungstates for direct electrocatalytic reduction of nitric oxide to ammonia: a DFT guideline for experiments

We screened out Ni^II, Co^II, Cu^II, Pd^II, Pt^II, and Ag^I substituted heteropolytungstates as promising electrocatalysts for nitric oxide to ammonia with high activity and high selectivity.