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

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.

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Cited by 26 publications
(18 citation statements)
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“…It has to be noted that the formation of an SMSI overlayer around the platinum nanoparticles due to high-temperature reduction is very likely to occur. ,, Such an overlayer will influence the behavior of hydrogen adsorption and spillover. The degree of overlayer formation and its structure are a complex function of temperature and hydrogen pressure.…”
Section: Discussionmentioning
confidence: 99%
“…It has to be noted that the formation of an SMSI overlayer around the platinum nanoparticles due to high-temperature reduction is very likely to occur. ,, Such an overlayer will influence the behavior of hydrogen adsorption and spillover. The degree of overlayer formation and its structure are a complex function of temperature and hydrogen pressure.…”
Section: Discussionmentioning
confidence: 99%
“…Originally, the chemisorption suppression was attributed to an electronic perturbation of the system, that is, the bonding between Pt and Ti cations under reducing atmospheres. Subsequent studies showed that in situ reductive activation leads to encapsulation of Pt NPs in a thin, partially reduced layer of TiO 2 (4)(5)(6)(7)(8)(9)(10). The driving force for this socalled strong metal-support interaction (SMSI) state was attributed to surface energy minimization (11).…”
mentioning
confidence: 99%
“…Low formation energy contributes to electron transfer, which improves the stability and SMSI of the gas sensing catalyst. 55 In addition, relative humidity (RH) is another important factor that can be explored to affect the gas sensing performance of the sensor. [56][57][58] As shown in Fig.…”
Section: Resultsmentioning
confidence: 99%