Molecular Design of Self-Assembled Monolayer (SAM) Coupling Agent for Reliable Interfaces by Molecular Dynamics Simulation

KY Wong, H Fan, GQ Zhang, MMF Yuen

Research output: Chapter in Book/Conference proceedings/Edited volumeChapterScientific

Abstract

This chapter aims at developing molecular modeling methodology to select a thiol-based self assembly monolayer (SAM) as a coupling agent for achieving a reliable epoxy-copper interfacial adhesion under moisture conditions. Moisture diffusion and interfacial energy is evaluated using molecular dynamics simulations. The qualitative agreement of the calculated interfacial energy with the experimental adhesion energy demonstrates that the molecular dynamics method is an effective way in selecting the coupling agent candidates.
Original languageEnglish
Title of host publicationMolecular Modeling and Multiscaling Issues for Electronic Material Applications
EditorsN Iwamoto, MMF Yuen, H Fan
PublisherSpringer
Pages133-148
Number of pages292
ISBN (Print)978-1-4614-1727-9
Publication statusPublished - 2011

Keywords

  • authored books
  • Boekdeel internat.wet

Fingerprint

Dive into the research topics of 'Molecular Design of Self-Assembled Monolayer (SAM) Coupling Agent for Reliable Interfaces by Molecular Dynamics Simulation'. Together they form a unique fingerprint.

Cite this