Single Vanadium Atoms Anchored on Graphitic Carbon Nitride as a High-Performance Catalyst for Non-oxidative Propane Dehydrogenation.
Institute of Functional Nano & Soft Materials (FUNSOM), Jiangsu Key Laboratory for Carbon-Based Functional Materials & Devices, Soochow University, No. 199 Ren'ai Road, Suzhou, 215123, Jiangsu, People's Republic of China.
- Published Article
American Chemical Society
- Publication Date
May 11, 2020
In comparison with oil-based cracking technologies, the on-purpose dehydrogenation of propane (PDH) is a more eco-friendly and profitable approach to produce propylene. By means of density functional theory calculations, the present work reveals that the single vanadium (V) atom anchored on graphitic carbon nitride (V1/g-C3N4) may serve as a promising single-atom catalyst for non-oxidative PDH with industrially practical activity, selectivity, and thermal stability. The high activity of V1/g-C3N4 for PDH is attributed to the low-coordinated 3d orbitals of single V atoms, while the propylene selectivity is originated from the inhibition of the di-σ binding mode of propylene on the single V atoms. This work provides a guideline to design and screen out promising single-atom catalysts for selective dehydrogenation of alkanes.
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This record was last updated on 05/19/2020 and may not reflect the most current and accurate biomedical/scientific data available from NLM.
The corresponding record at NLM can be accessed at https://www.ncbi.nlm.nih.gov/pubmed/32374154