Shape effect on nanoparticle solvation : a comparison of morphometric thermodynamics and microscopic theories
Conventional wisdom for controlling the nanoparticle size and shape during synthesis is that particle growth favors the direction of a facet with the highest surface energy. However, the particle solvation free energy, which dictates the particle stability and growth, depends not only on the surface...
| Publié dans: | Langmuir : the ACS journal of surfaces and colloids. - 1985. - 28(2012), 17 vom: 01. Mai, Seite 6997-7006 |
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| Auteur principal: | |
| Autres auteurs: | , |
| Format: | Article en ligne |
| Langue: | English |
| Publié: |
2012
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| Accès à la collection: | Langmuir : the ACS journal of surfaces and colloids |
| Sujets: | Journal Article |
| Résumé: | Conventional wisdom for controlling the nanoparticle size and shape during synthesis is that particle growth favors the direction of a facet with the highest surface energy. However, the particle solvation free energy, which dictates the particle stability and growth, depends not only on the surface area and surface free energy but also on other geometric measures such as the solvent excluded volume and the surface curvature and their affiliated thermodynamic properties. In this work, we study the geometrical effects on the solvation free energies of nonspherical nanoparticles using morphometric thermodynamics and density functional theories. For idealized systems that account for only molecular excluded-volume interactions, morphometric thermodynamics yields a reliable solvation free energy when the particle size is significantly larger than the solvent correlation length. However, noticeable deviations can be identified in comparison to the microscopic theories for predicting the solvation free energies of small nanoparticles. This conclusion also holds for predicting the potential of mean force underlying the colloidal "key-and-lock" interactions. Complementary to the microscopic theories, morphometric thermodynamics requires negligible computational cost, therefore making it very appealing for a broad range of practical applications |
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| Description: | Date Completed 17.08.2012 Date Revised 01.05.2012 published: Print-Electronic Citation Status PubMed-not-MEDLINE |
| ISSN: | 1520-5827 |
| DOI: | 10.1021/la2051178 |