Mechanistic understanding of N2 activation: a comparison of unsupported and supported Ru catalysts
Faraday Discussions(2023)
摘要
N2 dissociative adsorption is commonly the rate-determining step in thermal ammonia synthesis. Herein, we performed density functional theory (DFT) calculations to understand the N2 dissociation mechanism on models of unsupported...
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关键词
catalysts,activation,ru
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