Opening the Pandora's jar of molecule-to-material conversion in chemical vapor deposition: Insights from theory

International Journal of Quantum Chemistry

Volumn 114, Issue 1, 2014, Pages 1-7

  Tabacchi, Gloria ^a   Fois, Ettore ^a   Barreca, Davide ^b   Gasparotto, Alberto ^b  

^a UNIVERSITY OF INSUBRIA   (Italy)

^b UNIVERSITY OF PADOVA   (Italy)

Author keywords

chemical vapor deposition; density functional calculations; high temperature chemistry; molecular dynamics; reactivity; surface chemistry; transition metals; wavefunction methods

Indexed keywords

CALCULATIONS; DENSITY FUNCTIONAL THEORY; MOLECULAR DYNAMICS; MOLECULES; REACTIVITY (NUCLEAR); SAMPLING; SURFACE CHEMISTRY; TRANSITION METALS;

CHEMICAL VAPOR DEPOSITIONS (CVD); COMPLEX CHEMICAL PHENOMENA; FIRST PRINCIPLES MODELS; HIGH-TEMPERATURE CHEMISTRIES; MATERIAL CONVERSIONS; NANOMATERIALS FABRICATION; STATISTICAL SAMPLING; WAVE FUNCTION METHOD;

CHEMICAL VAPOR DEPOSITION;

EID: 84888427831     PISSN: 00207608     EISSN: 1097461X     Source Type: Journal    
DOI: 10.1002/qua.24505     Document Type: Article

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