Reference : Ultradispersity of diamond at the nanoscale
Scientific journals : Letter to the editor
Physical, chemical, mathematical & earth Sciences : Chemistry
Physical, chemical, mathematical & earth Sciences : Physics
http://hdl.handle.net/2268/109675
Ultradispersity of diamond at the nanoscale
English
Raty, Jean-Yves mailto [Université de Liège - ULg > Département de physique > Physique de la matière condensée]
Galli, G. [> > > >]
2003
Nature Materials
Nature Publishing Group
2
12
792-795795
Yes (verified by ORBi)
International
1476-1122
London
United Kingdom
[en] Theoretical or Mathematical/ ab initio calculations ; atomic clusters ; diamond ; disperse systems ; fullerenes ; grain size ; hydrogenation ; nanoparticles ; particle size ; surface reconstruction ; thermal stability ; thin films/ ultradispersity ; nanometre-sized diamond ; size distribution ; diamond nanoparticles ; ab initio calculations ; thermal stability ; surface hydrogen coverage ; bare reconstructed surfaces ; hydrogenated surfaces ; grains ; ultracrystalline diamond films ; topology ; structure ; fullerene-like carbon network ; 2 to 3 nm ; C/ A6146 Structure of solid clusters, nanoparticles, and nanostructured materials A8270 Disperse systems A6148 Structure of fullerenes and fullerene-related materials A6480G Microstructure A8160 Corrosion, oxidation, etching, and other surface treatments A6820 Solid surface structure A6855 Thin film growth, structure, and epitaxy / size 2.0E-09 to 3.0E-09 m/ C/el
[en] Nanometre-sized diamond has been found in meteorites, protoplanetary nebulae, and interstellar dusts, as well as in residues of detonation and in diamond films. Remarkably, the size distribution of diamond nanoparticles seems to be peaked around 2-5 nm, and to be largely independent of preparation conditions. We have carried out ab initio calculations of the stability of nanodiamond as a function of surface hydrogen coverage and of size. We have found that at about 3 nm, and for a broad range of pressures and temperatures, particles with bare, reconstructed surfaces become thermodynamically more stable than those with hydrogenated surfaces, thus preventing the formation of larger grains. Our findings provide an explanation of the size distribution of extraterrestrial and of terrestrial nanodiamond found in ultradispersed and ultracrystalline diamond films. They also provide an atomistic structural model of these films, based on the topology and structure of 2-3 nm diamond clusters consisting of a diamond core surrounded by a fullerene-like carbon network
Researchers ; Professionals ; Students
http://hdl.handle.net/2268/109675
10.1038/nmat1018

File(s) associated to this reference

Fulltext file(s):

FileCommentaryVersionSizeAccess
Restricted access
Raty_nanodiam_stability_Nature.pdfPublisher postprint954.54 kBRequest copy

Bookmark and Share SFX Query

All documents in ORBi are protected by a user license.