Synergetic effect of calcium doping on catalytic activity of manganese ferrite: DFT study and oxidation of hydrocarbon

Zahoor Iqbal, Saima Sadiq, Muhammad Sadiq, Muhammad Ali, Khalid Saeed, Najeeb Ur Rehman, Mohammad Ilyas, Saif Ullah, Saeed Ullah Jan, Iftikhar Ahmad, Mian Hussain Shah

Research output: Contribution to journalArticlepeer-review

3 Citations (Scopus)

Abstract

Manganese ferrite (MnFe2O4) and calcium-doped manganese ferrite (Ca-MnFe2O4) were synthesized, characterized, and tested for oxidation of hydrocarbons (CH) in a self-designed gas blow rotating (GBR) reactor. The uniformly sized and thermally stable MnFe2O4 nanoparticles (molar ratio, 1/284.5) showed a reasonable catalytic activity (productivity: 366.17 mmolg−1h−1) with 60% selectivity at 80 °C, which was further enhanced by calcium doping (productivity: 379.38 mmolg−1h−1). The suspicious behavior of Ca-MnFe2O4 was disclosed experimentally and theoretically as well.

Original languageEnglish
Article number335
JournalCrystals
Volume10
Issue number4
DOIs
Publication statusPublished - Apr 2020
Externally publishedYes

Keywords

  • Ca-MnFeO
  • DFT
  • Hydrocarbon
  • MnFeO
  • Oxidation

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