First-principles study of epoxy resin adhesion to tin oxide surface

Jun Yamashita*, Norio Nunomura

*この論文の責任著者

研究成果: 書籍の章/レポート/会議録会議への寄与査読

1 被引用数 (Scopus)

抄録

A density functional theory (DFT) is used to investigate the energetics of an epoxy resin adhere on a tin oxide and a hydroxylated γ-alumina surface within a supercell approach. Self- consistent geometry optimization is performed for models of adhesion interface, which is comprised of a fragment of epoxy resin and hydroxylated γ-Al2O3 (001), and SnO2(001) and (110) surface. The epoxy resin studied was simplified fragment based on diglycidyl ether of bisphenol A (DGEBA). It is found that the distance between the resin and the surface where the adhesion force is maximized is substantially the same for all models. Analysis of the energy-distance plot reveals that the fragment of DGEBA molecule adhere most strongly to the SnO2(001) surface, suggesting that the adhesion force is induced by van der Waals (vdW) interaction.

本文言語英語
ホスト出版物のタイトルTHERMEC 2021 - International Conference on Processing and Manufacturing of Advanced Materials Processing, Fabrication, Properties, Applications
編集者Mihail Ionescu, Christof Sommitsch, Cecilia Poletti, Ernst Kozeschnik, Tara Chandra
出版社Trans Tech Publications Ltd
ページ1670-1675
ページ数6
ISBN(印刷版)9783035736304
DOI
出版ステータス出版済み - 2021
イベントInternational Conference on Processing and Manufacturing of Advanced Materials Processing, Fabrication, Properties, Applications, THERMEC 2021 - Vienna, オーストリア
継続期間: 2021/05/102021/05/14

出版物シリーズ

名前Materials Science Forum
1016 MSF
ISSN(印刷版)0255-5476
ISSN(電子版)1662-9752

学会

学会International Conference on Processing and Manufacturing of Advanced Materials Processing, Fabrication, Properties, Applications, THERMEC 2021
国/地域オーストリア
CityVienna
Period2021/05/102021/05/14

ASJC Scopus 主題領域

  • 材料科学一般
  • 凝縮系物理学
  • 材料力学
  • 機械工学

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