Glucose electrooxidation modelling studies on carbon nanotube supported Pd catalyst with response surface methodology and density functional theory

In this study, carbon nanotube supported Pd catalysts (Pd/CNT) are synthesized at different weight percentages by the sodium borohydride (NaBH4) reduction method to investigate catalytic performance of glucose electrooxidation reaction. 0.5% Pd/CNT, 3% and 7% Pd/CNT characterized using X-ray diffraction (XRD), electron microscopy with energy dispersive (SEM-EDX), N2 adsorption-desorption measurements. The average particle size surface area catalyst determined as 46.33 nm 129.48 m2/g, respectively. Characterization results indicate that successfully prepared NaBH4 method. Cyclic voltammetry measurements performed effect loading for electrooxidation. CV reveal exhibits best activity. Following this, experimental optimization is obtain maximum activity via response methodology (RSM). Estimated specific activities optimum conditions assigned 6.186 5.832 mA/cm2, To understand on modeling also density functional theory (DFT) adsorption molecule CNT surface. DFT emphasize addition atom structure significantly improves in