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• W2763181830 startingPage "23002" @default.
• W2763181830 abstract "Nanoparticle sintering remains a fundamental problem in heterogeneous catalysis, motivating mechanistic studies toward mitigating deactivation of precious metal catalysts. We present a model based on the local coordination environment of metal atoms that can be used to provide total energy estimates for metal nanoparticles in a space of generic configurations. All energies are based only on a small set of density functional theory calculations of single metal atom adsorption on metal slabs. A model that can provide accurate nanoparticle energies is an important step toward the goal of understanding their sintering behavior in practical catalytic contexts." @default.
• W2763181830 created "2017-10-20" @default.
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• W2763181830 date "2017-10-09" @default.
• W2763181830 modified "2023-10-16" @default.
• W2763181830 title "Configurational Energies of Nanoparticles Based on Metal–Metal Coordination" @default.
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• W2763181830 doi "https://doi.org/10.1021/acs.jpcc.7b08438" @default.
• W2763181830 hasPublicationYear "2017" @default.
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