We develop a multi-scale approach towards the design of metallic nanoparticles with applications as catalysts in electrochemical reactions. The here discussed method exploits the relationship between nanoparticle architecture and electrochemical 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 characterisation of such structures also when in-operando.

Correlating Oxygen Reduction Reaction Activity and Structural Rearrangements in MgO-Supported Platinum Nanoparticles / K. Rossi, G.G. Asara, F. Baletto. - In: CHEMPHYSCHEM. - ISSN 1439-4235. - 20:22(2019), pp. 3037-3044. [10.1002/cphc.201900564]

Correlating Oxygen Reduction Reaction Activity and Structural Rearrangements in MgO-Supported Platinum Nanoparticles

F. Baletto
2019

Abstract

We develop a multi-scale approach towards the design of metallic nanoparticles with applications as catalysts in electrochemical reactions. The here discussed method exploits the relationship between nanoparticle architecture and electrochemical 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 characterisation of such structures also when in-operando.
electrocatalysis; generalised coordination number; molecular dynamics; platinum; supported nanoparticle
Settore FIS/03 - Fisica della Materia
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Utilizza questo identificativo per citare o creare un link a questo documento: http://hdl.handle.net/2434/865024
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