[1]王澳轩,才旺扎西,何超仪,等.doi: 10.3969/j.issn.1001-3849.2026.02.005基于量子化学计算的整平剂设计及对三维集成电路[J].电镀与精饰,2026,(02):44-54.
　WANG Aoxuan,CAIWANG Zhaxi,HE Chaoyi,et al.Design of levelers based on quantum chemical calculations and its effects on blind via metallization of three-dimensional integrated circuits[J].Plating & Finishing,2026,(02):44-54.
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doi: 10.3969/j.issn.1001-3849.2026.02.005基于量子化学计算的整平剂设计及对三维集成电路()

《电镀与精饰》[ISSN:1001-3849/CN:12-1096/TG]

卷:
期数:
2026年02
页码:
44-54
栏目:
出版日期:
2026-02-28

文章信息/Info

Title:
Design of levelers based on quantum chemical calculations and its effects on blind via metallization of three-dimensional integrated circuits
作者:
王澳轩1; 2; 才旺扎西1; 何超仪1; 王 为1
盲孔金属化的影响王澳轩1,2,才旺扎西1,何超仪1,王 为1(1. 天津大学 化工学院,天津 300072 ;2. 天津大学 储能科学与工程研究院,天津 300072)
Author(s):
WANG Aoxuan1; 2;  CAIWANG Zhaxi1;  HE Chaoyi1;  WANG Weil
(1. School of Chemical Engineering and Technology, Tianjin University, Tianjin 300072, China; 2. Institute of Energy Storage Science and Engineering, Tianjin University, Tianjin 300072, China)
关键词:
量子化学计算; 三维集成电路; 封孔镀铜; 镀液寿命
Keywords:
quantum chemical calculations;  3D integrated circuits;  via-filling copper plating;  bath life
分类号:
TQ153.2；TG146.1
文献标志码:
A
摘要:
三维集成电路盲孔金属化是实现半导体高密度互连的有效手段，金属化铜镀层质量对层间互连和信号传输具有决定性影响。然而，传统整平剂性能不佳严重制约了盲孔金属化的质量。本研究旨在通过理论计算与实验验证相结合的策略，筛选并开发新型高效整平剂。采用量子化学计算、阴极极化曲线测试及SEM、X射线荧光光谱仪(XRF)等分析手段，研究了不同整平剂(包括4-甲基-N-(4-氧化苄基-苄叉) 吡啶氯化物(4-Methyl-N-(4-Oxobenzyl-Benzylidene) Pyridinium Chloride ，MNP)和甲基紫(Methyl Violet，MV)等)对镀层形貌、成分及封孔行为的影响。结果表明：在直流电镀条件下，采用由1 mol/L基础镀液(Basic Copper Plating Solution，BCPs)、80 mg/L聚乙二醇(Polyethylene Glycol，PEG)、18 mg/L二硫二丙烷磺酸钠(Sodium 3,3’-Dithiodipropane Sulfonate，SPS)、0.05 ?mol/L MNP组成的镀液以及阴极电流密度60 mA?cm–2的工艺，可获得表面全光亮、致密均匀的铜镀层，并成功实现封孔。MNP因其较高的最低未占分子轨道(Lower Unoccupied Molecular Orbital，LUMO)能量与较强的阴极抑制作用，与PEG、SPS协同作用能有效延长镀液寿命并提升封孔效果。
Abstract:
The metallization of blind holes in three-dimensional integrated circuits serves as an effective method for achieving high-density interconnections in semiconductors, and the quality of the metallized copper coating has a decisive impact on interlayer connectivity and signal transmission. However, the inadequate performance of conventional leveling agents severely constrains the quality of blind hole metallization. This study aims to screen and develop novel, high-efficiency leveling agents through a strategy that combines theoretical calculations with experimental validation. Quantum chemistry calculations, cathodic polarization curve measurements, SEM and X-ray fluorescence (XRF) spectroscopy were employed as the primary analytical techniques. The morphology, composition and filling behavior of coatings were evaluated with various levelers, including 4- methyl-N-(4-oxobenzyl-benzylidene) pyridinium chloride (MNP) and methyl violet. Results show that under direct current (DC) at 60 mA?cm??, copper coatings with fully bright, dense and uniform surface are achieved, and complete via-filling is realized, using a bath composed of 1 mol/L basic copper plating solution (BCPs), 80 mg/L polyethylene glycol (PEG), 18mg/L sodium 3,3’-dithiodipropane sulfonate (SPS) and 0.05 μmol/L MNP. Because of higher Lower Unoccupied Molecular Orbital (LUMO) energy and stronger cathodic inhibition effect s possessed by MNP, synergistic effects are exhibited with PEG and SPS, effectively prolonging bath life and enhancing via-filling effect s

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更新日期/Last Update: 2026-02-09