Abstract
We develop a multi-scale approach towards the design of metallic nanoparticles with applications as catalysts in electro- chemical reactions. The here discussed method exploits the relationship between nanoparticle architecture and electro- chemical activity and is applied to study the catalytic properties
of MgO(100)-supported Pt nanosystems undergoing solid-solid and solid-liquid transitions. We observe that a major increment in the activity is associated to the reconstruction of the interface layers, supporting the need for a full geometrical character- isation of such structures also when in-operando.
of MgO(100)-supported Pt nanosystems undergoing solid-solid and solid-liquid transitions. We observe that a major increment in the activity is associated to the reconstruction of the interface layers, supporting the need for a full geometrical character- isation of such structures also when in-operando.
| Original language | English |
|---|---|
| Pages (from-to) | 3037-3044 |
| Number of pages | 8 |
| Journal | ChemPhysChem |
| Volume | 20 |
| Issue number | 22 |
| Early online date | 3 Sept 2019 |
| DOIs | |
| Publication status | Published - 19 Nov 2019 |
Keywords
- electrocatalysis
- generalised coordination number
- molecular dynamics
- platinum
- supported nanoparticle