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Published in 2023 at "Chemical Reviews"
DOI: 10.1021/acs.chemrev.2c00733
Abstract: Heterogeneous bimetallic catalysts have broad applications in industrial processes, but achieving a fundamental understanding on the nature of the active sites in bimetallic catalysts at the atomic and molecular level is very challenging due to…
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Keywords:
bimetallic sites;
bimetallic nanoclusters;
sites bimetallic;
bimetallic catalysts ... See more keywords
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Published in 2020 at "Nanomaterials"
DOI: 10.3390/nano10040767
Abstract: We present a quantum-mechanical study of silver decahedral nanoclusters and nanoparticles containing from 1 to 181 atoms in their static atomic configurations corresponding to the minimum of the ab initio computed total energies. Our thermodynamic…
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Keywords:
bulk related;
assessment energetics;
mechanical assessment;
nanoclusters nanoparticles ... See more keywords