Iridium-melamine metal-organic framework: A novel catalyst for efficient hydrogen generation via sodium borohydride methanolysis


Najri B. A., Mohand Saidi K., YILDIZ D., Khelili S., KIVRAK A., DEMİR KIVRAK H.

International Journal of Hydrogen Energy, cilt.136, ss.49-59, 2025 (SCI-Expanded) identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 136
  • Basım Tarihi: 2025
  • Doi Numarası: 10.1016/j.ijhydene.2025.05.063
  • Dergi Adı: International Journal of Hydrogen Energy
  • Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus, Academic Search Premier, PASCAL, Artic & Antarctic Regions, Chemical Abstracts Core, Chimica, Communication Abstracts, Compendex, Environment Index, INSPEC
  • Sayfa Sayıları: ss.49-59
  • Anahtar Kelimeler: DFT, Hydrogen production, Ir-MEL MOF, NaBH4 methanolysis, Reusability
  • Eskişehir Osmangazi Üniversitesi Adresli: Evet

Özet

The Iridium-melamine metal-organic framework (Ir-MEL MOF) was successfully synthesized via a solvothermal method involving the reaction between melamine and iridium (III) chloride (IrCl3) in ethanol at 78 °C. The resulting material was extensively characterized using various analytical techniques. X-ray diffraction (XRD) was employed to analyze its crystalline structure, Fourier-transform infrared spectroscopy (FTIR) to identify functional groups and molecular bonds, Raman spectroscopy to investigate molecular vibrations and structural features, and scanning electron microscopy combined with energy-dispersive X-ray spectroscopy (SEM-EDX) to examine its morphology and elemental composition. The catalytic performance of Ir-MEL MOF was evaluated in the methanolysis of sodium borohydride (NaBH4) for hydrogen production, demonstrating outstanding efficiency with a hydrogen generation rate (HGR) of 34.24 L/min.gcatalyst under optimized conditions (5 mg of Ir-MEL MOF, 150 mg of NaBH4, and 12 mL of methanol at 30 °C). The activation energy (Ea) calculated from the Arrhenius equation was 26.1 kJ/mol. Furthermore, Density functional theory (DFT) calculations revealed an energy gap (ΔEgap) of 4.735 eV, highlighting the MOF's effectiveness for hydrogen production. The catalyst exhibited good reusability, maintaining its catalytic performance over five consecutive cycles. These findings underscore the considerable potential of Ir-MEL MOF as a highly efficient and durable catalyst for sustainable hydrogen production.