Thermal stability of precursors for atomic layer deposition of TiO 2, ZrO2, and HfO2: An ab initio study of α-hydrogen abstraction in bis-cyclopentadienyl dimethyl complexes

Journal of Physical Chemistry A

Volumn 114, Issue 4, 2010, Pages 1879-1886

  Zydor, Aleksandra ^a   Elliott, Simon D ^a  

^a UNIVERSITY COLLEGE CORK   (Ireland)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO STUDY; ALD PRECURSOR; ALKYLIDENE COMPLEXES; BAND GAPS; CHEMICAL TAILORING; CYCLOPENTADIENYLS; DECOMPOSITION PATHWAY; ELECTROPHILICITY; GASPHASE; GROUP 4; GROWING SURFACES; H-DONORS; HYDROGEN ABSTRACTION; INSULATING LAYERS; MEMORY DEVICE; MOLECULAR DESIGN; MOLECULAR ENGINEERING; PERFORMANCE CAPABILITY; PRECURSOR DECOMPOSITION; PRECURSOR MOLECULES; PROCESS WINDOW; THERMAL STABILITY; THIN-FILM DIELECTRICS; TIO; ZIRCONIUM OXIDE;

CHEMICAL PROPERTIES; DECOMPOSITION; DENSITY FUNCTIONAL THEORY; HAFNIUM; HAFNIUM OXIDES; INERT GASES; LIGANDS; LITHIUM COMPOUNDS; THERMODYNAMIC STABILITY; TITANIUM COMPOUNDS; ZIRCONIUM;

ZIRCONIUM COMPOUNDS;

EID: 77249145376     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp9072608     Document Type: Article

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