The aluminum/polyethylene terephthalate interface: A joint theoretical and experimental study

DOI PDF 被引用文献2件
  • A. Calderone
    Service de Chimie des Matériaux Nouveaux, Centre de Recherche en Electronique et Photonique Moléculaires, Université de Mons-Hainaut, Place du Parc 20, B-7000 Mons, Belgium
  • R. Lazzaroni
    Service de Chimie des Matériaux Nouveaux, Centre de Recherche en Electronique et Photonique Moléculaires, Université de Mons-Hainaut, Place du Parc 20, B-7000 Mons, Belgium
  • J. L. Brédas
    Service de Chimie des Matériaux Nouveaux, Centre de Recherche en Electronique et Photonique Moléculaires, Université de Mons-Hainaut, Place du Parc 20, B-7000 Mons, Belgium
  • Quoc Toan Le
    Laboratoire Interdépartemental de Spectroscopie Electronique, Facultés Universitaires Notre-Dame de la Paix, Rue de Bruxelles 61, B-5000 Namur, Belgium
  • J. J. Pireaux
    Laboratoire Interdépartemental de Spectroscopie Electronique, Facultés Universitaires Notre-Dame de la Paix, Rue de Bruxelles 61, B-5000 Namur, Belgium

抄録

<jats:p>The aluminum/polyethylene terephthalate interface is investigated with a combined theoretical and experimental approach, in order to understand the interactions occurring at the molecular level when the metal is deposited onto the polymer surface. The theoretical approach consists in performing quantum-chemical calculations on short molecular model systems interacting with a few Al atoms. The geometric structure of the organometallic complex is optimized and its stability as well as the changes in charge density due to Al bonding are evaluated. The theoretical results are compared to experimental x-ray photoelectron spectroscopy data collected during the early stages of interface formation. In particular, the evolution of the polymer core level peaks is paralleled to the Al-induced modification of the charge density on the model molecules. Al is found to react preferentially with the ester group by forming covalent bonds with the oxygen and/or the carbon atom of that group.</jats:p>

収録刊行物

被引用文献 (2)*注記

もっと見る

キーワード

詳細情報 詳細情報について

問題の指摘

ページトップへ