Multiple proton diffusion and film densification in atomic layer deposition modeled by density functional theory

Chemistry of Materials

Volumn 25, Issue 6, 2013, Pages 878-889

  Shirazi, Mahdi ^a   Elliott, Simon D ^a  

^a UNIVERSITY COLLEGE CORK   (Ireland)

Author keywords

activation energy; adsorption; atomic layer deposition (ALD); densification; density functional theory (DFT); dissociation; kinetic Monte Carlo (KMC); metal alkylamide precursor; metal oxide; multiple proton diffusion

Indexed keywords

DENSITY FUNCTIONAL THEORIES (DFT); KINETIC MONTE CARLO; METAL ALKYLAMIDE; METAL OXIDES; PROTON DIFFUSION;

ACTIVATION ENERGY; ADSORPTION; AMIDES; ATOMIC LAYER DEPOSITION; CHEMICAL BONDS; DENSIFICATION; DENSITY FUNCTIONAL THEORY; DEPOSITION; DESORPTION; DIFFUSION; DIMERS; DISSOCIATION; FILM GROWTH; HAFNIUM; HAFNIUM OXIDES; METALS; MOLECULES; OXYGEN; PROTONATION; PROTONS;

LIGANDS;

EID: 84875630892     PISSN: 08974756     EISSN: 15205002     Source Type: Journal    
DOI: 10.1021/cm303630e     Document Type: Article

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