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Nickel phosphides, rare earth, electronic structure, magnetism, DFT calculation
direct Z-scheme heterojunction, carrier dynamics, band symmetry
triatomic cluster catalysts, density functional theory, Electrocatalysis, C-N coupling
(FexNi1-x)2P, Ferromagnetism, Mössbauer spectroscopy, First-principles calculations.
Multi-metallic phosphides, Heteroatoms substitution, Phosphide defect, Magnetism, DFT calculation
triatomic cluster catalyst, density functional theory, electrocatalysis, C-N coupling