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<p>This study reports the effect of diethylzinc (DEZ) and trimethylaluminium (TMA) functionalization on polyamide-6 (PA6) films using the vapour-phase metalation (VPM) process within an atomic layer deposition (ALD) chamber. The resulting zinc- and aluminium-functionalized films are referred to henceforth as PA6-Zn and PA6-Al, respectively. Biocompatibility was preliminarily assessed via C2C12 cytotoxicity testing. Reaction mechanisms were examined using density functional theory, electrostatic potential maps, Mulliken charge distribution, and X-ray photoelectron spectroscopy, revealing interactions between metal precursors and PA6 amide groups. DFT confirmed α-PA6 as the dominant structure and identified reactive sites influencing functionalization pathways. Structural and morphological changes were analysed via environmental scanning electron microscopy and X-ray diffraction. ESEM showed Zn-functionalized PA6 forming strand-like structures, while Al-functionalized PA6 developed pore-like cavities. XRD indicated increased crystallinity upon metalation, with the α/γ crystallite size ratio following the trend: PA6-Al &gt; PA6-Zn &gt; PA6. Spectroscopic analysis using infrared and Raman microscopy, along with UV–visible spectroscopy, highlighted modifications in chemical bonding and polymorphism, aligning with DFT predictions. Al functionalization had a stronger influence on PA6’s spectroscopic and some mechanical properties, whereas Zn functionalization notably enhanced failure strain. Barrier and mechanical properties were evaluated, showing that Zn-functionalized PA6 exhibited superior oxygen permeability, while both metal-modified films improved water vapour transmission rates compared to bare PA6. Cytotoxicity testing revealed enhanced C2C12 cell proliferation in the order PA6-Al &gt; PA6-Zn &gt; PA6, suggesting VPM-modified PA6 as a promising material for biomedical applications.</p> Graphical Abstract <p></p>

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Zn and Al vapour-phase metalation of polyamide-6 via ALD: structural, functional, and biomedical insights

  • 期刊论文

  • 出版模式：

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  • 发表日期：

    2025年10月25日

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  • Mabel Moreno,
  • Sindy Devis,
  • Luis Velasquez,
  • Miryam Arredondo,
  • Davide Mariotti,
  • Ruairi McGlynn,
  • Hugo Sanchéz-Ruderisch,
  • Raúl Quijada,
  • Guillermo González,
  • Yusser Olguin,
  • Paula Solar,
  • Angelica Zacarias,
  • Eberhard K. U. Gross

摘要

This study reports the effect of diethylzinc (DEZ) and trimethylaluminium (TMA) functionalization on polyamide-6 (PA6) films using the vapour-phase metalation (VPM) process within an atomic layer deposition (ALD) chamber. The resulting zinc- and aluminium-functionalized films are referred to henceforth as PA6-Zn and PA6-Al, respectively. Biocompatibility was preliminarily assessed via C2C12 cytotoxicity testing. Reaction mechanisms were examined using density functional theory, electrostatic potential maps, Mulliken charge distribution, and X-ray photoelectron spectroscopy, revealing interactions between metal precursors and PA6 amide groups. DFT confirmed α-PA6 as the dominant structure and identified reactive sites influencing functionalization pathways. Structural and morphological changes were analysed via environmental scanning electron microscopy and X-ray diffraction. ESEM showed Zn-functionalized PA6 forming strand-like structures, while Al-functionalized PA6 developed pore-like cavities. XRD indicated increased crystallinity upon metalation, with the α/γ crystallite size ratio following the trend: PA6-Al > PA6-Zn > PA6. Spectroscopic analysis using infrared and Raman microscopy, along with UV–visible spectroscopy, highlighted modifications in chemical bonding and polymorphism, aligning with DFT predictions. Al functionalization had a stronger influence on PA6’s spectroscopic and some mechanical properties, whereas Zn functionalization notably enhanced failure strain. Barrier and mechanical properties were evaluated, showing that Zn-functionalized PA6 exhibited superior oxygen permeability, while both metal-modified films improved water vapour transmission rates compared to bare PA6. Cytotoxicity testing revealed enhanced C2C12 cell proliferation in the order PA6-Al > PA6-Zn > PA6, suggesting VPM-modified PA6 as a promising material for biomedical applications.

Graphical Abstract