Prediction of Enhanced Dimerization inside Dilute Alloy Nanoparticles
Journal Title: International Journal of Nanomaterials, Nanotechnology and Nanomedicine - Year 2017, Vol 3, Issue 1
Abstract
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.
Authors and Affiliations
Polak Micha, Rubinovich Leonid
Keywords
Related Articles
- EP ID EP335398
- DOI 10.17352/2455-3492.000017
- Views 52
- Downloads 0
Simulation of the Behavior of Carbon Nanotori during Unfolding: A Study of Stability and Electronic Structure
In this work, we present an in silico study of the dynamic behavior of a carbon nanotorus during the localized breaking of the C-C bonds in its atomic network. It is shown that the unfolding of a carbon nanotorus is acco...
LiF-MO (M=Co, Fe, Ni) Nanocomposite Thin Film as Anode Materials for Lithium-ion Battery
To investigate the electrochemical performance of MO (M=Co, Fe, Ni) nanostructures on lithium insertion and extraction, size-controlled LiF-MO nanocomposite thin-film electrodes, consisting of metallic M and M oxide (MO)...
Surface Enhanced Raman Scattering Spectroscopy for Pharmaceutical Determination
The rapid growth of pharmaceutical industries worldwide demands continuous development of efficient analytical techniques that help not only to detect the presence of the molecules at extremely low concentration levels,...
A Microwave- irradiated Novel Superabsorbent Polymer Hydrogel (Guar gum-g- PAA): Synthesis, characterization and property studies
The main aim of the present study was to synthesize Guar gum grafted poly acrylic acid (Gg-g-PAA) superabsorbent polymer (SAP) hydrogel via free radical emulsifier-free emulsion graft polymerization technique using micro...
Nanoparticulate system for cancertherapy: An updated review
Nowadays, pharmaceutical nanotechnology has been developed as the most emerging branch in the field of pharmacy. “Nanotechnology refers to the nanosize formulation. These nanoformulations may be used in treatment of vari...