Adhesion analysis of silane coupling agent/copper interface with density functional theory

Nanotechnology devices with strong adhesion strength are required due to the miniaturization and reduction of the thickness of electronic devices. This paper describes a technique to select a silane coupling agent effective for obtaining the strong adhesion with copper by use of a density functional...

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Autores principales:	Mariko MIYAZAKI, Yoshiharu KANEGAE, Tomio IWASAKI
Formato:	article
Lenguaje:	EN
Publicado:	The Japan Society of Mechanical Engineers 2014
Materias:	adhesion strength adhesion energy density functional theory silane coupling agent thin film Mechanical engineering and machinery TJ1-1570
Acceso en línea:	https://doaj.org/article/2b0f50bd98fc4ab2bad06e8cab4c2cd7
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spelling	oai:doaj.org-article:2b0f50bd98fc4ab2bad06e8cab4c2cd72021-11-26T06:09:52ZAdhesion analysis of silane coupling agent/copper interface with density functional theory2187-974510.1299/mej.2014smm0032https://doaj.org/article/2b0f50bd98fc4ab2bad06e8cab4c2cd72014-08-01T00:00:00Zhttps://www.jstage.jst.go.jp/article/mej/1/4/1_2014smm0032/_pdf/-char/enhttps://doaj.org/toc/2187-9745Nanotechnology devices with strong adhesion strength are required due to the miniaturization and reduction of the thickness of electronic devices. This paper describes a technique to select a silane coupling agent effective for obtaining the strong adhesion with copper by use of a density functional theory (DFT) in addition to an experimental peel test. We calculated the adhesion energy at the interface between three candidate silane coupling agents, aminoethyl-aminopropyltrimethoxysilane (AEAPS), mercaptopropyltrimethoxysilane (MPS), and aminopropyltrimethoxysilane (APS), and the copper in order to evaluate the adhesion strength at the interface. The adhesion energy obtained from DFT simulations increased in the order of AEAPS/copper > MPS/copper >APS/copper. The peel strength obtained from an experimental peel test increased in the same order as the adhesion energy obtained from the DFT simulation. Thus, AEAPS was selected as an effective coupling agent for obtaining the strong adhesion with copper. The selection method with the DFT simulation in addition to a peel test is considered to be effective for selecting the best material with the highest adhesion strength.Mariko MIYAZAKIYoshiharu KANEGAETomio IWASAKIThe Japan Society of Mechanical Engineersarticleadhesion strengthadhesion energydensity functional theorysilane coupling agentthin filmMechanical engineering and machineryTJ1-1570ENMechanical Engineering Journal, Vol 1, Iss 4, Pp SMM0032-SMM0032 (2014)
institution	DOAJ
collection	DOAJ
language	EN
topic	adhesion strength adhesion energy density functional theory silane coupling agent thin film Mechanical engineering and machinery TJ1-1570
spellingShingle	adhesion strength adhesion energy density functional theory silane coupling agent thin film Mechanical engineering and machinery TJ1-1570 Mariko MIYAZAKI Yoshiharu KANEGAE Tomio IWASAKI Adhesion analysis of silane coupling agent/copper interface with density functional theory
description	Nanotechnology devices with strong adhesion strength are required due to the miniaturization and reduction of the thickness of electronic devices. This paper describes a technique to select a silane coupling agent effective for obtaining the strong adhesion with copper by use of a density functional theory (DFT) in addition to an experimental peel test. We calculated the adhesion energy at the interface between three candidate silane coupling agents, aminoethyl-aminopropyltrimethoxysilane (AEAPS), mercaptopropyltrimethoxysilane (MPS), and aminopropyltrimethoxysilane (APS), and the copper in order to evaluate the adhesion strength at the interface. The adhesion energy obtained from DFT simulations increased in the order of AEAPS/copper > MPS/copper >APS/copper. The peel strength obtained from an experimental peel test increased in the same order as the adhesion energy obtained from the DFT simulation. Thus, AEAPS was selected as an effective coupling agent for obtaining the strong adhesion with copper. The selection method with the DFT simulation in addition to a peel test is considered to be effective for selecting the best material with the highest adhesion strength.
format	article
author	Mariko MIYAZAKI Yoshiharu KANEGAE Tomio IWASAKI
author_facet	Mariko MIYAZAKI Yoshiharu KANEGAE Tomio IWASAKI
author_sort	Mariko MIYAZAKI
title	Adhesion analysis of silane coupling agent/copper interface with density functional theory
title_short	Adhesion analysis of silane coupling agent/copper interface with density functional theory
title_full	Adhesion analysis of silane coupling agent/copper interface with density functional theory
title_fullStr	Adhesion analysis of silane coupling agent/copper interface with density functional theory
title_full_unstemmed	Adhesion analysis of silane coupling agent/copper interface with density functional theory
title_sort	adhesion analysis of silane coupling agent/copper interface with density functional theory
publisher	The Japan Society of Mechanical Engineers
publishDate	2014
url	https://doaj.org/article/2b0f50bd98fc4ab2bad06e8cab4c2cd7
work_keys_str_mv	AT marikomiyazaki adhesionanalysisofsilanecouplingagentcopperinterfacewithdensityfunctionaltheory AT yoshiharukanegae adhesionanalysisofsilanecouplingagentcopperinterfacewithdensityfunctionaltheory AT tomioiwasaki adhesionanalysisofsilanecouplingagentcopperinterfacewithdensityfunctionaltheory
_version_	1718409768637300736

Adhesion analysis of silane coupling agent/copper interface with density functional theory

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