期刊
CHEMICAL VAPOR DEPOSITION
卷 14, 期 7-8, 页码 213-223出版社
WILEY-V C H VERLAG GMBH
DOI: 10.1002/cvde.200706657
关键词
molecular dynamics simulations; nanocrystalline diamond; sticking and etch coefficient; ultrananocrystalline diamond
资金
- Institute for the Promotion of Innovation by Science and Technology in Flanders (IWT-Flanders)
- Fund for Scientific Research-Flanders (FWO)
- University of Antwerp
The reaction behavior of species that may affect the growth of ultrananocrystal line and nanocrystalline diamond ((U)NCD) films is investigated by means of molecular dynamics simulations. Impacts of CHx (x = 0 - 4), C2Hx (x=0-6), C3Hx (x=0-2), C4Hx (x = 0 - 2), H, and H-2 on clean and hydrogenated diamond (100)2 x 1 and (111) 1 x 1 surfaces at two different substrate temperatures are simulated. We find that the different bonding structures of the two surfaces cause different temperature effects on the sticking efficiency. These results predict a temperature-dependent ratio of diamond (100) and (111) growth. Furthermore, predictions of which are the most important hydrocarbon species for (U)NCD growth are made.
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