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NO Hydrogenation to NH3 over Aluminum Catalysts with Water as Proton Source
1School of Materials and New Energy, Ningxia University, Yinchuan, 750021, China.
Abstract:
NO hydrogenation not only produces NH3 but also reduces NO emissions. The high cost associated with high-purity H2 can be circumvented by using H2O as a hydrogen source. Herein, the first principles calculations show that Aluminum (Al) facilitates the hydrogenation of NO and the formation of NH3 via thermal catalysis. The energy barriers on Al(111) and Al(100) are 0.45 eV and 0.12 eV, respectively. After NH3 desorption, the energy barrier for NO decomposition on the O* and *OH covered surface is only 0.33 eV. This NO-based, H2O-mediated NH3 synthesis not only mitigates environmental pollution but also proceeds under relatively mild conditions. This study also enriches the application of main group metal in heterogeneous catalysis.
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