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Reducing the Cost and Preserving the Reactivity in Noble‐Metal‐Based Catalysts: Oxidation of CO by Pt and Al–Pt Alloy Clusters Supported on Graphene
Author(s) -
Koizumi Kenichi,
Nobusada Katsuyuki,
Boero Mauro
Publication year - 2016
Publication title -
chemistry – a european journal
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.687
H-Index - 242
eISSN - 1521-3765
pISSN - 0947-6539
DOI - 10.1002/chem.201504379
Subject(s) - catalysis , alloy , graphene , noble metal , cluster (spacecraft) , adsorption , reactivity (psychology) , materials science , metal , chemistry , chemical engineering , inorganic chemistry , nanotechnology , metallurgy , organic chemistry , computer science , medicine , alternative medicine , pathology , engineering , programming language
The oxidation mechanisms of CO to CO 2 on graphene‐supported Pt and Pt‐Al alloy clusters are elucidated by reactive dynamical simulations. The general mechanism evidenced is a Langmuir–Hinshelwood (LH) pathway in which O 2 is adsorbed on the cluster prior to the CO oxidation. The adsorbed O 2 dissociates into two atomic oxygen atoms thus promoting the CO oxidation. Auxiliary simulations on alloy clusters in which other metals (Al, Co, Cr, Cu, Fe, Ni) replace a Pt atom have pointed to the aluminum doped cluster as a special case. In the nanoalloy, the reaction mechanism for CO oxidation is still a LH pathway with an activation barrier sufficiently low to be overcome at room temperature, thus preserving the catalyst efficiency. This provides a generalizable strategy for the design of efficient, yet sustainable, Pt‐based catalysts at reduced cost.