How diamond films grow by chemical vapour deposition is now fairly wel
l understood1,2, but the mechanism by which the diamond phase first nu
cleates is still unclear. Evidence is accumulating that atomic hydroge
n, known to be important in diamond growth1,2, also plays an important
role in nucleation3,4. The nature of the carbon precursor to diamond
has been much debated2-9; although there is some evidence that graphit
e is formed before diamond nucleation2,5,6 and that diamond grows epit
axially on the graphite edges7, others have suggested10,11 that graphi
te formation is detrimental to diamond nucleation. Here we present cal
culations that suggest that diamond films can nucleate by the initial
condensation of graphite and subsequent hydrogenation of the {1100BAR}
prism planes along the edges of the graphite particles. If nucleation
really does occur in this manner, the understanding that our model pr
ovides should assist in the development of methods for growing large d
iamond single crystals (now limited in part by secondary nucleation of
independent crystals) and highly oriented epitaxial diamond films.