Journal: Nature Communications
Article Title: Gradient area-selective deposition for seamless gap-filling in 3D nanostructures through surface chemical reactivity control
doi: 10.1038/s41467-022-35428-6
Figure Lengend Snippet: a Surface reaction energy diagram of TMPMCT molecules on the TiO 2 surface calculated by DFT. The structures below correspond to the Path 1. The dotted lines represent the reactions, where TS (transition states) structures were not calculated. Colours: Ti surf (light blue), Ti TMPMCT (yellow green), O surf (red), O TMPMCT (purple), C (brown), H (white pink). The corresponding chemical equations: Phy.: Cp(CH 3 ) 5 Ti(OMe) 3 , Ads.: *-Cp(CH 3 ) 5 Ti(OMe) 3 , 1OMe disso.: *-Cp(CH 3 ) 5 Ti(OMe) 2 + *-(OMe), 2OMe disso.: *-Cp(CH 3 ) 5 Ti(OMe) + 2·*-(OMe), 3OMe disso.: *-Cp(CH 3 ) 5 Ti + 3·*-(OMe). Phy. (Physisorption), Ads. (Adsorption), disso. (dissociation), surf (surface), * refers to adsorbed species. b WCA measurement with various exposure times of TMPMCT on the TiO 2 surface. Fitting of the JMAK model (dashed lines) to the data (points with error bars) obtained from c the growth of subsequent TiO 2 ALD on the TMPMCT inhibitor layer (20, 40 and 60 s), and d selectivity calculated from the thickness measured by ellipsometry. e Areal coverage of TMPMCT on the TiO 2 surface (10 nm × 10 nm) using various impingement numbers calculated by MC simulation and the coverage of TDMAT on the TMPMCT-inhibited surface. f Adsorption mechanism of TMPMCT inhibitor. Unoccupied sites serve as starting points for the nucleation sites of TiO 2 in subsequent ALD cycles. Source data are provided as a Source data file.
Article Snippet: The JMAK model was calculated using the Matlab software (Matlab R2018b version 9.5).
Techniques: Adsorption