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Showing 1 to 1 of 1 for “"DFT computation of Nitrogen functionalized transition metal electrocatalysts"”.
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EXPLORATION OF TM-NX ORR ELECTROCATALYSTS FROM FIRST PRINCIPLE CALCULATIONS
… are TM-Nx (TM = Fe, Co, x = 2 - 4) based non-PGM electrocatalysts where the defect motifs are embedded in a carbon matrix during pyrolysis. By studying the material properties of individual defects we can determine how the chemistry and morphology of these TM-Nx motifs are interdependent. …