Published in
Royal Society of Chemistry, Journal of Materials Chemistry A: materials for energy and sustainability, 7(9), p. 4044-4054, 2021
DOI: 10.1039/d0ta11650e
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Thermodynamic insights into strong metal-support interaction of transition metal nanoparticles on titania: simple descriptors for complex chemistry
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Abstract
Using ab initio modelling, we demonstrate that a simple parameter – alloy formation energy – is a good descriptor of an interaction strength between metal substrates and oxide monolayers, which allows constructing structure–material–environment maps.