affiliation not provided to SSRN
Nitrate reduction, Ammonia synthesis, Non-noble metal-based catalysts, In silico catalyst design, Beyond single-atom catalysts
electron leakage, electron passivation, electron conductivity, nonequilibrium Green's function (NEGF) method, critical thickness
electron leakage, electron passivation, electron conductivity, non-equilibrium Green's function (NEGF) method, critical thickness