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Title: Growth and stability of oxidation resistant Si nanocrystals formed by decomposition of alkyl silanes

Journal Article · · Journal of Physical Chemistry - C, vol. 112, no. 10, February 19, 2008, pp. 3585-3590
OSTI ID:940468

The synthesis and characterization of 1-10 nm Si nanocrystals highly resistant to oxidation is described. The nanocrystals were prepared by thermal decomposition of tetramethylsilane at 680 C, or in a gold- induced catalytic process at lower temperatures down to 400-450 C using trioctylamine as an initial solvent. Transmission electron microscopic analysis of samples obtained in the presence of gold show that the nanocrystals form via solid-phase epitaxial attachment of Si to the gold crystal lattice. The results of computational modeling performed using first principles density functional theory (DFT) calculations predict that the enhanced stability of nanocrystals to oxidation is due to the presence of N or N-containing groups on the surface of nanocrystals.

Research Organization:
Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)
Sponsoring Organization:
USDOE
DOE Contract Number:
W-7405-ENG-48
OSTI ID:
940468
Report Number(s):
UCRL-JRNL-227339; TRN: US0807136
Journal Information:
Journal of Physical Chemistry - C, vol. 112, no. 10, February 19, 2008, pp. 3585-3590, Vol. 112, Issue 10
Country of Publication:
United States
Language:
English