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Pré-Publication, Document De Travail Année : 2021
Is There Really a Size effect on the Surface Energy of Nanoparticles ?
Hakim Amara (1, 2) , Jaysen Nelayah , Jérôme Creuze (3) , Adrian Chmielewski (2) , Damien Alloyeau (2) , Christian Ricolleau (2) , Bernard Legrand (4)
1 Laboratoire d'étude des microstructures - LEM, UMR 104, CNRS-ONERA, Université Paris Saclay (F-92322 Châtillon - France)
"> Laboratoire d'étude des microstructures - LEM, UMR 104, CNRS-ONERA, Université Paris Saclay
2 MPQ (UMR_7162) - Laboratoire Matériaux et Phénomènes Quantiques (Université Paris Diderot, Bât. Condorcet , 10 rue Alice Domon et Leonie Duquet, Case 7021, 75205 Paris cedex 13 - France)
"> MPQ (UMR_7162) - Laboratoire Matériaux et Phénomènes Quantiques
3 ICMMO - Institut de Chimie Moléculaire et des Matériaux d'Orsay (Bât. 670, 17 Avenue des Sciences 91400 Orsay - France)
"> ICMMO - Institut de Chimie Moléculaire et des Matériaux d'Orsay
4 SRMP - Service de recherches de métallurgie physique (CEA Saclay 91191 Gif sur Yvette - France)
"> SRMP - Service de recherches de métallurgie physique

Résumé

Surface energy is a key quantity that controls many physical properties of materials, yet determining its value at the nanoscale remains challenging. By using $N$-body interatomic potentials and performing analytical calculations, we develop a robust approach to determine the surface energy of metallic nanoparticles as a function of particle size and temperature. A strong increase in the surface energy is obtained when the size of the nanoparticle decreases, both in the solid and liquid states. However, we show how the use of the classical spherical approximation to characterise the surface area of a nanoparticle leads to an almost constant surface energy with size as usually done to characterize the thermodynamic and kinetic properties of NPs in many works. We then propose a correction of the spherical approximation that is particularly useful for small size nanoparticles to improve the different models developed in the literature so far.
Surface energy is a key quantity that controls many physical properties of materials, yet determining its value at the nanoscale remains challenging. By using $N$-body interatomic potentials and performing analytical calculations, we develop a robust approach to determine the surface energy of metallic nanoparticles as a function of particle size and temperature. A strong increase in the surface energy is obtained when the size of the nanoparticle decreases, both in the solid and liquid states. However, we show how the use of the classical spherical approximation to characterise the surface area of a nanoparticle leads to an almost constant surface energy with size as usually done to characterize the thermodynamic and kinetic properties of NPs in many works. We then propose a correction of the spherical approximation that is particularly useful for small size nanoparticles to improve the different models developed in the literature so far.

Domaines

Science des matériaux [cond-mat.mtrl-sci]
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https://hal.science/hal-03310351

Soumis le : vendredi 30 juillet 2021-13:57:31

Dernière modification le : lundi 16 septembre 2024-13:14:11

Archivage à long terme le : dimanche 31 octobre 2021-18:16:50

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Dates et versions

hal-03310351 , version 1 (30-07-2021)
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  • HAL Id : hal-03310351 , version 1

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Hakim Amara, Jaysen Nelayah, Jérôme Creuze, Adrian Chmielewski, Damien Alloyeau, et al.. Is There Really a Size effect on the Surface Energy of Nanoparticles ?. 2021. ⟨hal-03310351⟩

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