Atomic layer deposition of TiO2 from TiI4 and H 2O onto SiO2 surfaces: Ab initio calculations of the initial reaction mechanisms

Journal of the American Chemical Society

Volumn 129, Issue 13, 2007, Pages 3863-3878

  Hu, Zheng ^a   Turner, C Heath ^a  

^a University of Alabama   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO CALCULATIONS; ATOMIC GROWTH MECHANISMS; QUANTUM TUNNELING;

ELECTRONIC STRUCTURE; GROWTH KINETICS; MATHEMATICAL MODELS; REACTION KINETICS; SILICON COMPOUNDS; TITANIUM DIOXIDE; WATER;

ATOMIC LAYER DEPOSITION;

SILICON DIOXIDE; TITANIUM DERIVATIVE; TITANIUM DIOXIDE; TITANIUM IODIDE; UNCLASSIFIED DRUG;

AB INITIO CALCULATION; ARTICLE; ATOMIC LAYER DEPOSITION; BINDING AFFINITY; CALCULATION; CHEMICAL REACTION KINETICS; CLUSTER ANALYSIS; ELECTROCHEMISTRY; GROWTH REGULATION; LIGAND BINDING; QUANTUM CHEMISTRY; QUANTUM TUNNELING; REACTION ANALYSIS; ROTATION; STRUCTURE ANALYSIS; SURFACE PROPERTY; THERMODYNAMICS;

EID: 34247110879     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja066529z     Document Type: Article

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