Theoretical screening of di-metal atom (M = Fe, Co, Ni, Cu, Zn) electrocatalysts for ammonia synthesis
Zhao Liang, Chao Liu, Mingwei Chen, Mingming Luo, Xiaopeng Qi, Shaik Gouse Peera, Tongxiang Liang
Topics & Concepts
CatalysisDensity functional theoryTransition metalGrapheneMetalChemistryElectrochemistryElectrocatalystInorganic chemistryAmmonia productionPhysical chemistryMaterials scienceComputational chemistryNanotechnologyElectrodeOrganic chemistryBiochemistryAmmonia Synthesis and Nitrogen ReductionAdvanced Photocatalysis TechniquesNanomaterials for catalytic reactions