Issue 33, 2012

Surface phase diagram and thermodynamic stability of functionalisation of nanodiamonds

Abstract

Surface functionalisation has been widely applied to nanodiamonds, as well as other nanomaterials, with the aim of promoting stability (saturation of dangling bonds) and expanding applications. Since nanodiamonds are a promising candidate for applications in biology and nanomedicine, careful control of the stability and homogeneity of the surface functionalisation is crucial. Here, the facet-dependent thermodynamic stabilities of individual diamond nanoparticles functionalised with hydrogen, oxygen, and hydroxyl have been systematically examined using electronic structure computer simulations. Based on these results, phase diagrams for the functionalised nanodiamonds have been established, mapping the stability as a function of the partial pressures of the participating species.

Graphical abstract: Surface phase diagram and thermodynamic stability of functionalisation of nanodiamonds

Supplementary files

Article information

Article type
Paper
Submitted
27 Apr 2012
Accepted
19 Jun 2012
First published
18 Jul 2012

J. Mater. Chem., 2012,22, 16774-16780

Surface phase diagram and thermodynamic stability of functionalisation of nanodiamonds

L. Lai and A. S. Barnard, J. Mater. Chem., 2012, 22, 16774 DOI: 10.1039/C2JM32640J

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