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Chain length effect of accelerators in TSV/TGV microvia copper filling: A combined DFT and MD simulation study

delete2026-05-08
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PRE
AI
D
Decheng Li
X
Xiaodong Li
J
Jianyu Liu
Y
Yi Wang
王倩 cover
王倩 (Qian Wang)
Y
Yilei Yue
S
Song Lin
L
Linan Xu *
S
Shirong Wang *
DOI：10.1016/j.comptc.2026.115858delete
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Abstract

Abstract

En 中文
• A combined DFT and MD simulation approach has been demonstrated to elucidate, through theoretical calculation methods, that accelerators possess a vertical configuration, anchoring via thiol groups to the cathode while sulfonate groups capture Cu2+ ions to achieve reduction deposition. • Evaluating single-chain accelerators with varying chain lengths reveals that the intermediate-chain MPS-3 possesses the most optimal comprehensive performance. • Integrating electrical double layer (EDL) theory elucidates an excellent synergism between the accelerator and Cl− ions to facilitate cooperative electrodeposition.
Keywords:
Accelerator
Copper filling
DFT
MD simulation
Chain length

Journal

Computational and Theoretical Chemistry cover
Computational and Theoretical Chemistry
IF:
2.8
Papers:
771
Citations:
7.2K

Organization

T
tianjin university
Scholars:
7.7W
Papers: 5.6W
Citations: 88
N
north china institute of aerospace engineering
Scholars:
721
Papers: 396
Citations: 1
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