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Conversion of dinitrogen to ammonia on Ru atoms supported on boron sheets: a DFT study | Synapse

January 1, 2019Journal of Materials Chemistry A295 citations

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Conversion of dinitrogen to ammonia on Ru atoms supported on boron sheets: a DFT study

CLChuangwei Liu QLQinye Li JZJie Zhang

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By first-principles computations, nitrogen becomes activated via distal pathway on the single Ru-atom-embedded two boron monolayers, exhibiting relatively low reaction energy barriers of 0.42 and 0.44 eV, respectively.

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Cite This Study

Liu et al. (Tue,) studied this question.

synapsesocial.com/papers/6a5c4f19cf4f37ea7699fad1 https://doi.org/https://doi.org/10.1039/c8ta08219g

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