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Cuboctahedral Platinum Nanoparticles: Simulations of the Oxidation and Degradation of Platinum Electrocatalysts (Small 5/2020)
Author(s) -
Kirchhoff Björn,
Braunwarth Laura,
Jung Christoph,
Jónsson Hannes,
Fantauzzi Donato,
Jacob Timo
Publication year - 2020
Publication title -
small
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 3.785
H-Index - 236
eISSN - 1613-6829
pISSN - 1613-6810
DOI - 10.1002/smll.202070027
Subject(s) - platinum , platinum nanoparticles , nanoparticle , degradation (telecommunications) , materials science , dissolution , context (archaeology) , aqueous solution , stoichiometry , electrochemistry , chemical engineering , nanotechnology , chemistry , catalysis , computer science , electrode , telecommunications , paleontology , engineering , biology , biochemistry
In article number 1905159, Donato Fantauzzi, Timo Jacob, and co‐workers simulate the oxidative degradation of cuboctahedral platinum nanoparticles using reactive force fields and a random‐number–based sampling scheme. The cover depicts the three main stages of oxidation – clean particle, surface oxidation, complete oxidation and dissolution into smaller clusters of Pt 6 O 8 stoichiometry – of a cuboctahedral nanoparticle in aqueous environment, as obtained from theoretical simulations. Electrochemical potential scale given for context.