Molecular Dynamics Assisted Corrosion-Resistant Evaluation of Encapsulation Materials on Copper Used in Power Electronics Packaging

Conference Paper (2024)
Author(s)

Jinyuan Zhang (Fudan University)

Wei Chen (Fudan University)

Hongyu Tang (TU Delft - Electronic Components, Technology and Materials, Fudan University)

Xi Zhu (Nanjing Tech University, Fudan University)

Guo-Qi Zhang (TU Delft - Electronic Components, Technology and Materials)

Jiajie Fan (Fudan University, TU Delft - Electronic Components, Technology and Materials)

Research Group
Electronic Components, Technology and Materials
DOI related publication
https://doi.org/10.1109/ICEPT63120.2024.10668482
More Info
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Publication Year
2024
Language
English
Research Group
Electronic Components, Technology and Materials
Bibliographical Note
Green Open Access added to TU Delft Institutional Repository ‘You share, we take care!’ – Taverne project https://www.openaccess.nl/en/you-share-we-take-care Otherwise as indicated in the copyright section: the publisher is the copyright holder of this work and the author uses the Dutch legislation to make this work public. @en
ISBN (electronic)
9798350353808
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Abstract

Corrosion protection is one of the most important issues when copper is applied in power electronics packaging as bonding wire, die attachment, interconnection, and DBC substrate. Covering a layer of corrosion-resistant encapsulation material is a worthy consideration to protect copper. In this paper, the corrosion-resistant effects of two organic encapsulation materials, polydimethylsiloxane (PDMS) and hexamethyldisiloxane (HMDSO), on the copper surface were performed by molecular dynamics simulations. Firstly, the Cu-coating bilayer models were constructed, and the binding performances of the encapsulation material/copper interface were evaluated through calculating their interaction energy, proving that the organic coatings can form interconnection on copper surface. Then, the diffusion processes of corrosive gas molecules (H2S, H2O and O2) into the copper layer under different coating conditions were simulated, and both coatings exhibited good corrosion protection performances. The above results indicate that both PDMS and HMDSO have promising potential for copper corrosion protection in power electronics packaging. This may provide some guidance for corrosion protection of copper material used in power electronics packaging.

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