TY  - JOUR 
AU  - Molina Martín, Luis Miguel
AU  - Arranz Simon, Carlos
AU  - Alonso Martín, Julio Alfonso
PY  - 2022
SN  - 2468-8231
UR  - https://uvadoc.uva.es/handle/10324/56758
AB  - Density Functional Theory (DFT) simulations have been performed to study the CO oxidation reaction on a pure Pt18 cluster, and on Nb- and Mo-doped NbPt17 and MoPt17 clusters. The results show that a specially stable conformation of the pure cluster...
LA  - eng
PB  - Elsevier
KW  - Clusters
KW  - Clústeres
KW  - Carbon monoxide
KW  - Monóxido de Carbono
TI  - Mechanistic insight into the CO oxidation reaction at pure, Nb-doped and Mo-doped medium size Pt clusters
DO  - 10.1016/j.mcat.2022.112749
ER  -