Computational Investigation of Precursor Blocking during Area-Selective Atomic Layer Deposition Using Aniline as a Small-Molecule Inhibitor.

ABSTRACT: Area-selective atomic layer deposition using small-molecule inhibitors (SMIs) involves vapor-phase dosing of inhibitor molecules, resulting in an industry-compatible approach. However, the identification of suitable SMIs that yield a high selectivity remains a challenging task. Recently, aniline (C₆H₅NH₂) was shown to be an effective SMI during the area-selective deposition (ASD) of TiN, giving 6 nm of selective growth on SiO₂ in the presence of Ru and Co non-growth areas. In this work, using density functional theory (DFT) and random sequential adsorption (RSA) simulations, we investigated how aniline can effectively block precursor adsorption on specific areas. Our DFT calculations confirmed that aniline selectively adsorbs on Ru and Co non-gro

SUBMITTER: Tezsevin I 

PROVIDER: S-EPMC10061919 | biostudies-literature | 2023 Mar

REPOSITORIES: biostudies-literature