Design of bimetallic Rh-M catalysts for N2O decomposition: From DFT calculation to experimental study
Molecular Catalysis(2018)
摘要
•The mechanisms of N2O decomposition catalyzed by four catalysts were calculated by DFT.•The relationship of d-band center and adsorption energy of adsorbate is linear.•The experimental results are consistent with DFT calculation results.
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关键词
Directly catalytic decomposition,N2O,Catalytic activity,Density functional theory (DFT)
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