Modeling surface energy in porous metallic nanostructures

Molecular dynamics investigation of the structural and energetic properties of CeO2–MOx (M = Gd, La, Ce, Zr) nanoparticles

“…However, our atomistic understanding on the CeO 2 surface-edge relation is far from satisfactory when compared with surface-edge effects in metallic nanoparticles. [16][17][18][19] Additional to that, Tarnuzzer et al 20 proposed the use of ceria nanoparticles with diameter from 2 up to 5 nm to repair cell damage induced by radiation, which explores the antioxidant properties of ceria particles with similar ratio of Ce 3+ and Ce 4+ cations on the particle surfaces.…”