Effect of surface termination on the reactivity of nano-sized diamond particle surfaces for bio applications

Abstract

Nanodiamond has displayed some unique physical and chemical properties compared to bulk diamond, which broadens its applications invarious areas. The here presented investigations have focused on the combined effect of diamond surface planes and termination on surface reactivity. Then especially towards adhered important biomolecules for bone regeneration and vascularization. Moreover, a more detailed picture of nanodiamond quantum confinements is still missing from a theoretical point of view. An evaluation of realistic models for nano-diamond (ND) particles of various sizes will here be presented. In addition, the adhesions of various biomolecules, both in vacuum and in a liquid environment, as a function of surface plane and termination, will also be presented.It was shown possible to model nanodiamond particles of size larger than 2 nm with (100) and (111) surface planes. For the situation with biomolecule adhesion to the nanodiamond surfaces, there is a large similarity between the results for the diamond (111) and (100)- 2x1surfaces. For both of these surfaces, even though the water solvation will create much stronger biomolecular adhesion energies, there is a resemblance in order of adhesion energy for the various systems (i.e., solvated vs. non-solvated).