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Updated: Nov 26, 2025
Synthesis of Bimetallic Pt/Sn-based Nanoparticles in Ionic Liquids
Published on: August 23, 2018
Data of interaction of supported ionic liquids phases onto copper nanoparticles: A density functional theory study
Kerry Wrighton-Araneda1, Cristián Valdebenito2, Gabriel Abarca2
1Programa Institucional de Fomento a la Investigación, Desarrollo e Innovación. Universidad Tecnológica Metropolitana, Ignacio Valdivieso 2409, P.O. Box, San Joaquín, Santiago 8940577, Chile.
Abstract:
This work contains data on the computational, structural, and electronic characterization of supported ionic liquids phases anchored to copper nanoparticles using Density Functional theory calculations. The data supplement the paper "Interaction of supported ionic liquids phases onto copper nanoparticles: A Density Functional Theory study" [1], based on the adsorption of ionic liquid onto a Cu nanoparticle is analyzed from a chemical and physical point of view. The chemical analysis is based on Atoms in Molecule theory (AIM) and allows us to differentiate the chemical binding nature between ionic liquid and copper nanoparticle. On the other hand, the energy decomposition analysis based on absolutely localized molecular orbital (ALMO-EDA) describes the physical contributions that govern the interaction between ionic liquid and the copper nanoparticles. Herein, detailed and extended information in the synthesis and computational characterization are presented.
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