Fe-decorated hierarchical molybdenum carbide for direct conversion of CO2into ethylene: Tailoring activity and stability

Himanshu Raghav, L. N. Siva Kumar Konathala, Neeraj Mishra, Bhanu Joshi, Reena Goyal, Ankit Agrawal, Bipul Sarkar

Research output: Contribution to journalArticlepeer-review

16 Scopus citations

Abstract

In the past few years, the production of olefins from various resources, particularly from carbon-rich sources, such as crude oil, natural gas, coal, and biomass, has received considerable attention. This study presented the production of light olefins by conducting CO2hydrogenation through modified Fischer-Tropsch synthesis (M-FTS) by employing a Fe-decorated large surface molybdenum carbide catalyst. A novel strategy was adopted for the synthesis of large surface mesoporous molybdenum carbide by using a hard template. A theoretical loading limit of Fe nanoparticles, calculated using density functional theory, was decorated over β-Mo2C through simple wetness impregnation. The trans isomers of Fe-doped β-Mo2C exhibited higher symmetry and were energetically slightly more stable for the hydrogenation of CO2into light olefins than the cis isomers. Under the optimized condition, Fe(0.5)-Mo2C showed 7.3% CO2conversion with 79.4% C2=olefins.

Original languageEnglish
Article number101607
JournalJournal of CO2 Utilization
Volume50
DOIs
StatePublished - 1 Aug 2021
Externally publishedYes

Keywords

  • COhydrogenation
  • Electronic structure
  • Light olefin
  • Mesoporous MoC
  • Silica hard template

ASJC Scopus subject areas

  • Chemical Engineering (miscellaneous)
  • Waste Management and Disposal
  • Process Chemistry and Technology

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