Computational design of one FeCoNiCuZn high-entropy alloy for high-performance electrocatalytic nitrate reduction
Yifan Yu, Wei Zhang, Qiaojun Fang, Xuelong Zhang, Shuang-te Zhao, Wen‐Xian Chen, Gui‐Lin Zhuang
Topics & Concepts
OverpotentialElectrocatalystDensity functional theoryNitrateAmmoniaMaterials scienceAlloyCatalysisInorganic chemistryChemical engineeringChemistryPhysical chemistryComputational chemistryElectrochemistryMetallurgyBiochemistryEngineeringElectrodeOrganic chemistryAmmonia Synthesis and Nitrogen ReductionAdvanced Photocatalysis TechniquesHydrogen Storage and Materials