Probing the fate of interstitial water in bulk bioactive glass by ab initio simulations

Author:

Berardo Enrico123,Corno Marta456,Cormack Alastair N.789,Ugliengo Piero456,Tilocca Antonio123

Affiliation:

1. Department of Chemistry

2. University College London

3. London WC1H 0AJ, UK

4. Dipartimento di Chimica and NIS (Nanostructured Interfaces and Surfaces)

5. Universitá di Torino

6. 10125 Torino, Italy

7. New York State College of Ceramics

8. Alfred University

9. Alfred, USA

Abstract

The mechanism and effects of the interaction of a water molecule with different sites found in the bulk of 45S5 bioactive glass have been investigated through ab initio simulations.

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemical Engineering,General Chemistry

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