Role of titanium and organic precursors in molecular layer deposition of "titanicone" hybrid materials.

ABSTRACT: The development of hybrid inorganic-organic films with well-controlled properties is important for many applications. Molecular layer deposition (MLD) allows the deposition of these hybrid films using sequential, self-limiting reactions, similar to atomic layer deposition (ALD). In this paper, we use first principles density functional theory (DFT) to investigate the growth mechanism of titanium-containing hybrid organic-inorganic MLD films, known as "titanicones". We investigate in detail the chemistry between the most common Ti precursors, namely titanium tetrachloride (TiCl₄) and tetrakis(dimethylamido)titanium (Ti(DMA)₄), and ethylene glycol (EG) and glycerol (GL) as the organic precursors. We analyse the impact of the substrate on the initial MLD reactions in tit

SUBMITTER: Muriqi A 

PROVIDER: S-EPMC9644066 | biostudies-literature | 2022

REPOSITORIES: biostudies-literature