Surface charging behavior of nanoparticles by considering site distribution and density, dielectric constant and pH changes – a Monte Carlo approach
Author:
Affiliation:
1. Environmental Physical Chemistry
2. F.-A. Forel Institute, Earth and Environmental Sciences
3. Faculty of Sciences
4. University of Geneva
5. CH-1290 Versoix
Abstract
Monte Carlo simulations are used to describe the charging behavior of metal oxide nanoparticles thus enabling a novel and original approach to predict nanoparticle reactivity and the possible interactions with biological and environmental molecules.
Publisher
Royal Society of Chemistry (RSC)
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://pubs.rsc.org/en/content/articlepdf/2015/CP/C4CP04733H
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