Structure−Reactivity Relationship of Ptn (n = 1,3,7) Nanoparticles Supported on (5,5) CNT: An Ab Initio Study

The reactivity and structure of several platinum nanoparticles adsorbed on a (5,5) CNT have been studied on the basis of DFT. Changes in the materials reactivity due to charge redistribution and chemical and geometrical factors were observed. Additionally, we have investigated the nanoparticles reac...

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Veröffentlicht in:Topics in catalysis 2022, Vol.65 (7-8), p.926-933
Hauptverfasser: Nuñez, José L., Belletti, Gustavo D., Tielens, Frederik, Quaino, Paola
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Sprache:eng
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