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Issue 5, 2015
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Computational design of safer nanomaterials

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Nanomaterials are expected to find applications in numerous consumer products, posing the challenge to guarantee their safety and environmental sustainability before they can be transferred from research labs to end-consumer products. One emerging solution, called safe design, relies on the implementation, throughout the R&D phase, of key aspects related to the safety and sustainability of nanomaterials, in this way anticipating potential negative health effects. This article proposes a computational screening approach to design safer nanomaterials. The work is based on the calculation of key physicochemical properties of nanomaterials that are related to their safety, functionality and synthetic feasibility. These properties are then used to select a pool of promising structures for further experimental testing and development. The concept is demonstrated on a set of core@shell metal oxide nanoparticles for transparent UV-protecting coating applications.

Graphical abstract: Computational design of safer nanomaterials

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Publication details

The article was received on 09 Apr 2015, accepted on 29 Jul 2015 and first published on 31 Jul 2015

Article type: Paper
DOI: 10.1039/C5EN00066A
Citation: Environ. Sci.: Nano, 2015,2, 454-462

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    Computational design of safer nanomaterials

    E. Burello, Environ. Sci.: Nano, 2015, 2, 454
    DOI: 10.1039/C5EN00066A

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