Effect of nitrogen on the stability of silicon nanocrystals produced by decomposition of alkyl silanes

Journal of Physical Chemistry C

Volumn 112, Issue 10, 2008, Pages 3585-3590

  Zaitseva, Natalia ^a   Hamel, Sebastien ^a   Dai, Zu Rong ^a   Saw, Cheng ^a   Williamson, Andrew ^a   Galli, Giulia ^a  

^a LAWRENCE LIVERMORE NATIONAL LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AMERICAN CHEMICAL SOCIETY (ACS); COMPUTATIONAL MODELLING; ELECTRON MICROSCOPY ANALYSIS; ENHANCED STABILITY; FIRST-PRINCIPLES DENSITY FUNCTIONAL THEORY; GOLD CRYSTAL; LATTICE (CO); SI-NANOCRYSTALS; SILICON NANOCRYSTALS (SI-NC); SOLID-PHASE; TETRAETHYLSILANE; TETRAMETHYL SILANE (TMS); TRIOCTYLAMINE (TOA);

AMINES; CHEMICAL OXYGEN DEMAND; DENSITY FUNCTIONAL THEORY; GOLD; NANOCRYSTALLINE ALLOYS; NANOCRYSTALS; NANOSTRUCTURED MATERIALS; NANOTECHNOLOGY; NITROGEN; NONMETALS; OXIDATION; PROBABILITY DENSITY FUNCTION; SEMICONDUCTING SILICON COMPOUNDS; SILANES; SILICON; SYSTEM STABILITY;

NANOSTRUCTURES;

EID: 47249092807     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp0776255     Document Type: Article

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51. 3, (-69.2 → -76.8), and in molecular species as well as in crystalline species, silicon-oxygen bonds are stronger (more stable) than silicon-nitrogen bonds, which are stronger than silicon-carbon bonds, which are the same as or slightly stronger than silicon-hydrogen bonds. Under the conditions at which the clusters were made, N replaced some or all of the carbons. At room temperature and pressure, the barrier to replace Si-N bonds by the more stable Si-O bonds is too large (-0.4 kcal/mol or 201 K), and so oxidation is effectively prevented.