High availability and outstanding catalytic activity in sodium borohydride hydrolytic dehydrogenation of CQD/GO@Co catalyst by green synthesis: Experimental and computational perspective
[ X ]
Tarih
2024
Dergi Başlığı
Dergi ISSN
Cilt Başlığı
Yayıncı
Pergamon-Elsevier Science Ltd
Erişim Hakkı
info:eu-repo/semantics/closedAccess
Özet
This study is a pioneering study that experimentally and theoretically measures the effect of heterogeneous catalyst structure on hydrogen production. In this research, the catalytic activity of the (CQD/GO@Co) catalyst, which was formed by doping Co onto the synthesized graphene oxide (GO) on carbon quantum dots (CQD) obtained from caffeine by green synthesis, was investigated. The catalyst CQD/GO@Co was synthesized with high dispersibility and activity, and it was successfully employed in the hydrolysis of NaBH4 for the first time. The effective catalytic compatibility of caffeine and cobalt element increased approximately 3 times on the GO layer. In order to determine the most effective catalyst conditions in the study, NaOH concentration, catalyst amount, NaBH4 amount and temperature were tested under different reactant conditions. The catalyst was characterized using X-Ray Diffraction (XRD), Transmission Electron Microscopy (TEM), Brunauer-Emmett-Teller (BET) analyses. Field emission scanning electron micrographs (FESEM) were taken by Field emission scanning electron microscope (Zeiss, Sigma). Energy dispersive X-ray (EDX) spectra were obtained from Energy dispersive X-ray spectroscope. According to spherical aberration transmission electron microscopy studies, the uniform dispersion of Co nanoparticles (average diameter: +/- 3,1 nm) on CQDs, as well as the very small size and good dispersion of Cobalt (Co), are conducive to improved catalytic performance. This situation was determined by molecular modeling with the Non-scc GFN1xTB model and results supporting the experimental data were obtained. The maximum hydrogen production rate with sodium borohydride hydrolysis using cobalt-based catalyst increased approximately 32 times (from metallic crystal form of Co catalyst 2860 mL/min.(g.cat) to the present form 49,044 mL/min.(g.cat). The activation energy, activation enthalpy, and activation entropy of the Co@CQDs catalyst were founded to be 20.65 kJ mol(-1), 2.64 kJ mol(-1), and -108,97 J mol(-1), respectively.
Açıklama
Anahtar Kelimeler
Graphene oxide, Cobalt, Caffeine, Hydrogen energy, Catalyst, NaBH4, GFN1xTB model
Kaynak
International Journal of Hydrogen Energy
WoS Q Değeri
N/A
Scopus Q Değeri
Q1
Cilt
83
