Databases with structures used for "Improving the Activity of M-N4 Catalysts for the Oxygen Reduction Reaction by Electrolyte Adsorption"
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资源简介：
DFT optimised structures used for the paper "Improving the Activity of M-N<sub>4</sub> Catalysts for the Oxygen Reduction Reaction by Electrolyte Adsorption". There is a separate database for structures with Cr, Mn, Fe and Co as the central metal atom in the M-N4 motif, and one with the molecular references. The structures can be retrieved using the Atomic Simulation Environment (ASE).
创建时间：
2019-09-02
