Transition surface dangling bond

The near-infrared PL15 at 0.8 eV (below the bulk Si band gap) exhibits complex nonexponential dynamics, with a wide distribution of decay times, and has been assigned to deep level transitions associated with dangling bonds on the surface of the Si nanocrystallites.54... 

A simple test can be performed to further demonstrate that it is actually the d-state from which the hole reacts, which is responsible for the materials ability to discharge OH- ions and water and not its layer-type crystal structure or the van der Waals surface which is lacking dangling bonds. It can be seen from Fig. 1 that ZrS2 which is a Group IV transition metal dichalcogenide has exactly the same crystal structure and crystal sym-... 

Calculations showed that transition metal adatoms slide on the surface of graphene until they become bound to a defect of some kind. The unbinding is strongly thermodynamically unfavorable. It also may be kinetically unfavorable in the case of SV-sites owing to the fact that dangling bonds are formed upon unbinding. It should be noted that clustering of transition metal atoms occurs... 

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