Feng, Zhen published the artcileTwo-dimensional metal-organic framework Mo3(C2O)12 as a promising single-atom catalyst for selective nitrogen-to-ammonia conversion, Recommanded Product: Coronene, the publication is Journal of Materials Chemistry A: Materials for Energy and Sustainability (2022), 10(9), 4731-4738, database is CAplus.
The development of single-atom catalysts (SACs) for the electrocatalytic nitrogen reduction reaction (NRR) remains a great challenge. Using d. functional theory calculations, we design a new family of two-dimensional metal-organic frameworks [TM3(C2O)12, TM = Sc-Au] and explore their feasibility as SACs for the NRR. The calculated adsorption Gibbs free energies of N2 and NNH species demonstrate that only the Mo3(C2O)12 monolayer could both activate the NN bond and stabilize the adsorbed NNH intermediate. The Mo3(C2O)12 metal-organic framework not only possesses sufficient stability, but also exhibits high nitrogen fixation activity and substantial selectivity. The NRR distal pathway could achieve this sufficient goal with a low limiting potential of -0.36 V and a promising theor. faradaic efficiency value of 100%. This work could give guidance to develop more effective NRR SACs using 2D metal-organic frameworks under ambient conditions.
Journal of Materials Chemistry A: Materials for Energy and Sustainability published new progress about 191-07-1. 191-07-1 belongs to catalysis-chemistry, auxiliary class Electronic Materials, name is Coronene, and the molecular formula is C24H12, Recommanded Product: Coronene.
Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia