Molecular Layer Deposition Using Ring-Opening Reactions: Molecular Modeling of the Film Growth and the Effects of Hydrogen Peroxide

Laura Keskiväli (Corresponding Author), Matti Putkonen, Eini Puhakka, Eija Kenttä, Jeroen Kint, Ranjith K. Ramachandran, Christophe Detavernier, Pekka Simell

Research output: Contribution to journalArticleScientificpeer-review


Novel coating materials are constantly needed for current and future applications in the area of microelectronics, biocompatible materials, and energy-related devices. Molecular layer deposition (MLD) is answering this cry and is an increasingly important coating method for organic and hybrid organic-inorganic thin films. In this study, we have focused on hybrid inorganic-organic coatings, based on trimethylaluminum, monofunctional aromatic precursors, and ring-opening reactions with ozone. We present the MLD processes, where the films are produced with trimethylaluminum, one of the three aromatic precursors (phenol, 3-(trifluoromethyl)phenol, and 2-fluoro-4-(trifluoromethyl)benzaldehyde), ozone, and the fourth precursor, hydrogen peroxide. According to the in situ Fourier-transform infrared spectroscopy measurements, the hydrogen peroxide reacts with the surface carboxylic acid group, forming a peroxyacid structure (C(O)-O-OH), in the case of all three processes. In addition, molecular modeling for the processes with three different aromatic precursors was carried out. When combining these modeling results with the experimental research data, new interesting aspects of the film growth, reactions, and properties are exploited.

Original languageEnglish
Pages (from-to)7141-7149
Number of pages9
JournalACS Omega
Issue number7
Publication statusPublished - 31 Jul 2018
MoE publication typeA1 Journal article-refereed


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