Theoretical Study of Hydrazine Decomposition Mechanism on Metal Surfaces
- 化学化工－已发表论文 
The mechanism of N2H4 decomposition on Fe, Ru, Pt and Cu surfaces was analyzed by UBI-QEP (Unity Bond Index-Quadratic Exponential Potential) method. The results show that N-N bond cleavage in N2H4 is dominant decomposition route with the order of metal activity: Ru similar to Fe > Pt > Cu, but the product selectivity is significantly varied with metal surfaces. The main products on Fe and Ru are predicted to be H, and N-2 which is little formed via species N2Hx, and the activity on Ru is higher than that on Fe, in contrast, on Pt and Cu the products are NH3, N-2 and H-2, and the formed species N2H during decomposition could be transformed into N-2 and H-2, and the activity on Pt is more than that on Cu.