Journal of Materials Chemistry A · 2019 · 158 citations · 75 references
Materials ScienceInorganic ChemistryChemical EngineeringLow OverpotentialEngineeringMo-based MofOxygen Reduction ReactionWater ElectrolyzersEfficient ElectrocatalystCatalysisChemistryMo-based 2DTheoretical ElectrochemistryElectrochemistry
A Mo-based MOF is an efficient electrocatalyst for the N<sub>2</sub> reduction reaction with a low overpotential of 0.18 V.
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Special points for Brillouin-zone integrations
Hendrik J. Monkhorst, J.D. Pack · Physical review. B, Solid state · 1976 · 68.3K citations
From molecules to solids with the DMol3 approach
B. Delley · The Journal of Chemical Physics · 2000 · 10.7K citations · Full text
Engineering, Theoretical Inorganic Chemistry, Dmol3 Approach +20