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Single Vanadium Atoms Anchored on Graphitic Carbon Nitride as a High-Performance Catalyst for Non-oxidative Propane Dehydrogenation.

Authors
  • Kong, Ningning1
  • Fan, Xing1
  • Liu, Fangfang1
  • Wang, Lu1
  • Lin, Haiping1
  • Li, Youyong1
  • Lee, Shuit-Tong1
  • 1 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. , (China)
Type
Published Article
Journal
ACS Nano
Publisher
American Chemical Society
Publication Date
May 11, 2020
Identifiers
DOI: 10.1021/acsnano.0c00659
PMID: 32374154
Source
Medline
Keywords
Language
English
License
Unknown

Abstract

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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