Hydrogen Storage Properties of Economical Graphene Materials Modified by Non-Precious Metal Nickel and Low-Content Palladium

Ni/Pd co-modified graphene hydrogen storage materials were successfully prepared by a solvothermal method using NiCl2·6H2O and Pd(OAc)2 reduced oxide (rGO). By adjusting the hydrothermal temperature, Pd–Ni is alloyed, size of obtained nanoparticles uniform. The electronic structure Pd was changed alloying, center D-band moved down, which promoted adsorption hydrogen. NiPd-rGO-180 sample, in 180 represents temperature centigrade (°C), has highest capacity 2.65 wt% at moderate condition (RT/4MPa). excellent performance benefits from synergistic spillover effect bimetal. calculated energies Ni2Pd2-rGO are within ideal range (−0.20 to −0.60 eV) ads/desorption; however, introduction substrate defects cluster orientation alter energy. This work provides an effective reference for design optimization carbon-based materials.