Prediction of Enhanced Dimerization inside Dilute Alloy Nanoparticles
<p>According to a unique nano-confinement effect of entropic origin, predicted by us several years ago for the equilibrium state of chemical reactions, the equilibrium-constant and extent are greatly enhanced depending on the small number of molecules involved, and for many reactions also on t...
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| Autors principals: | , |
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| Format: | Llibre |
| Publicat: |
International Journal of Nanomaterials, Nanotechnology and Nanomedicine - Peertechz Publications,
2017-01-31.
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| Accés en línia: | Connect to this object online. |
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| Sumari: | <p>According to a unique nano-confinement effect of entropic origin, predicted by us several years ago for the equilibrium state of chemical reactions, the equilibrium-constant and extent are greatly enhanced depending on the small number of molecules involved, and for many reactions also on the nano-space size. This work explored the validity of this effect in the case of elemental dimerization reactions within dilute alloy nanoparticles with separation tendency, Pd - Ir cuboctahedra in particular. Employing a simple model for the system energetics, computations based on the exact canonical partition-function reveal nano-confinement induced Ir2 dimer stabilization within Pd surface segregated nanoparticles, reflected e.g., by up to ~ 60% increased dimerization extent and by doubling of the 1n KD vs. 1/T slope, as compared to the macroscopic thermodynamic limit. The dual role of the configurational entropy, namely mixing of Ir/Ir2 vs. Pd/Ir is elucidated. Study based on more elaborate energetic models is desirable as the next step of this research.</p> |
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| DOI: | 10.17352/2455-3492.000017 |