Relative stability and reducibility of CeO2 and Rh/CeO2 species on the surface and in the cavities of [gamma]-Al2O3: a periodic DFT study

Phys. Chem. Chem. Phys., 2015, Advance Article
DOI: 10.1039/C5CP02547H, Paper

Iskra Z. Koleva, Hristiyan A. Aleksandrov, Georgi N. Vayssilov, Renata Duarte, Jeroen A. van Bokhoven
Computational modeling suggests that a ceria nanoparticle deposited on [gamma]-Al₂O₃ is reduced more easily than an isolated nanoparticle and incorporation of cerium ions in support cavities is favored on the [gamma]-Al₂O₃(100) surface.
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