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Grain boundaries improve hydrogen storage in palladium hollow nanoparticles
López, Jimena; Schmidth, Walter; Roco, Fiorella; Soto, Wladimir; Ramírez, Max; Prada, Alejandro; Valencia, Felipe J.; Varas, Alejandro; Rogan, José (2024)Monte Carlo and Molecular Dynamics simulations were employed to explore the enhanced hydrogen storage capabilities of palladium nanospheres with grain boundaries. It was found that hollow nanoparticles with grain boundaries ...