Catalytic thermodynamic model for nanocluster adsorbates

Kaatz, Forrest H.; Bultheel, Adhemar

doi:10.1016/j.cattod.2019.06.077

Cited by 5 publications

(2 citation statements)

References 63 publications

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“…It has been reported that the catalytic activation energy is proportional to the melting temperature (T m ). 8,9,11 For NCs, T m (D) decreases with decreasing D, where D denotes the NCs size. 2 Namely, the smaller the D of nanocatalysts is, the higher the catalytic activity is.…”

Section: ■ Introductionmentioning

confidence: 99%

“…Nanocrystals (NCs), stemming from their low dimensionality, exhibit characteristics different from those of their bulk counterparts. − Owing to their large surface-to-volume ratio ( A / V ), NCs have been widely applied in catalysis. − For efficient catalysis, nanocatalysts should have a higher catalytic activity. It has been reported that the catalytic activation energy is proportional to the melting temperature ( T m ). ,, For NCs, T m ( D ) decreases with decreasing D , where D denotes the NCs size . Namely, the smaller the D of nanocatalysts is, the higher the catalytic activity is.…”

Section: Introductionmentioning

confidence: 99%

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A Comprehensive Understanding of the Melting Temperature of Nanocrystals: Implications for Catalysis

Chen

et al. 2020

ACS Appl. Nano Mater.

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The melting temperature of nanocrystals, an important property determining the thermal stability and catalytic activity of nanocatalysts, can be tailored by manipulating the size, dimensionality, interface, and composition. Although many studies have been performed on this topic, a comprehensive understanding of the melting temperature of nanocrystals remains deficient. To clarify the synergistic influences of the aforementioned parameters, a thermodynamic model is established from the perspective of the Gibbs free energy along with the size-dependent interface energy. The established model, containing no adjustable parameters, is valid for determining the melting temperature of nanocrystals (singlecomponent nanocrystals or binary nanoalloys) of different sizes, dimensionalities, interface conditions, and compositions. Subsequently, the model calculations are compared with the corresponding experimental and simulation values. The observed consistency between the former and the latter confirms the validity and universality of the established model, which provides an opportunity to better understand the melting behaviors of nanocrystals.

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Section: ■ Introductionmentioning

confidence: 99%