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A comprehensive study on three typical photoacid generators using photoelectron spectroscopy and ab initio calculations | |
2024-08-07 | |
发表期刊 | JOURNAL OF CHEMICAL PHYSICS (IF:3.1[JCR-2023],3.6[5-Year]) |
ISSN | 0021-9606 |
EISSN | 1089-7690 |
卷号 | 161期号:5 |
发表状态 | 已发表 |
DOI | 10.1063/5.0218918 |
摘要 | Conducting a comprehensive molecular-level evaluation of a photoacid generator (PAG) and its subsequent impact on lithography performance can facilitate the rational design of a promising 193 nm photoresist tailored to specific requirements. In this study, we integrated spectroscopy and computational techniques to meticulously investigate the pivotal factors of three prototypical PAG anions, p-toluenesulfonate (pTS−), 2-(trifluoromethyl)benzene-1-sulfonate (TFMBS−), and triflate (TF−), in the lithography process. Our findings reveal a significant redshift in the absorption spectra caused by specific PAG anions, attributed to their involvement in electronic transition processes, thereby enhancing the transparency of the standard PAG cation, triphenylsulfonium (TPS+), particularly at ∼193 nm. Furthermore, the electronic stability of PAG anions can be enhanced by solvent effects with varying degrees of strength. We observed the lowest vertical detachment energy of 6.6 eV of pTS− in PGMEA solution based on the polarizable continuum model, which prevents anion loss at 193 nm lithography. In addition, our findings indicate gas-phase proton affinity values of 316.4 kcal/mol for pTS−, 308.1 kcal/mol for TFMBS−, and 303.2 kcal/mol for TF−, which suggest the increasing acidity strength, yet even the weakest acid pTS− is still stronger than strong acid HBr. The photolysis of TPS+-based PAG, TPS+·pTS−, generated an excited state leading to homolysis bond cleavage with the lowest reaction energy of 83 kcal/mol. Overall, the PAG anion pTS− displayed moderate acidity, possessed the lowest photolysis reaction energy, and demonstrated an appropriate redshift. These properties collectively render it a promising candidate for an effective acid producer. © 2024 Author(s). |
关键词 | Continuum mechanics Excited states Photoelectron spectroscopy Photolysis Photoresists Solvents 193 nm photoresists Ab initio calculations Molecular levels P-toluenesulfonates Performance Photoacid generators Rational design Reaction energy Red shift Triflates |
URL | 查看原文 |
收录类别 | EI ; SCI |
语种 | 英语 |
资助项目 | National Natural Science Foundation of China[22QA1406200] ; Shanghai Rising-Star Program[21511105000] ; Shanghai Science and Technology Program[11227902] ; U.S. Department of Energy (DOE), Office of Science, Office of Basic Energy Sciences, Division of Chemical Science, Geosciences, and Biosciences, Condensed Phase and Interfacial Molecular Science program[16248] |
WOS研究方向 | Chemistry ; Physics |
WOS类目 | Chemistry, Physical ; Physics, Atomic, Molecular & Chemical |
WOS记录号 | WOS:001297911300009 |
出版者 | American Institute of Physics |
EI入藏号 | 20243216849762 |
EI主题词 | Negative ions |
EI分类号 | 714.2 Semiconductor Devices and Integrated Circuits ; 802.2 Chemical Reactions ; 803 Chemical Agents and Basic Industrial Chemicals ; 813.2 Coating Materials ; 931.1 Mechanics ; 931.3 Atomic and Molecular Physics ; 931.4 Quantum Theory ; Quantum Mechanics |
原始文献类型 | Journal article (JA) |
引用统计 | 正在获取...
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文献类型 | 期刊论文 |
条目标识符 | https://kms.shanghaitech.edu.cn/handle/2MSLDSTB/411230 |
专题 | 物质科学与技术学院_硕士生 大科学中心_PI研究组_刘志组 物质科学与技术学院_特聘教授组_李儒新组 物质科学与技术学院_博士生 大科学中心_PI研究组_彭鹏组 |
通讯作者 | Li, Ruxin; Liu, Zhi; Wang, Xue-Bin; Peng, Peng |
作者单位 | 1.Center for Transformative Science, ShanghaiTech University, Shanghai; 201210, China 2.Physical Sciences Division, Pacific Northwest National Laboratory, 902 Battelle Boulevard, P.O. Box 999, Richland; WA; 99352, United States 3.State Key Laboratory of Precision Spectroscopy, East China Normal University, Shanghai; 200241, China |
第一作者单位 | 上海科技大学 |
通讯作者单位 | 上海科技大学 |
第一作者的第一单位 | 上海科技大学 |
推荐引用方式 GB/T 7714 | Jiang, Yanrong,Cao, Wenjin,Hu, Zhubin,et al. A comprehensive study on three typical photoacid generators using photoelectron spectroscopy and ab initio calculations[J]. JOURNAL OF CHEMICAL PHYSICS,2024,161(5). |
APA | Jiang, Yanrong.,Cao, Wenjin.,Hu, Zhubin.,Yue, Zhongyao.,Bai, Chunyuan.,...&Peng, Peng.(2024).A comprehensive study on three typical photoacid generators using photoelectron spectroscopy and ab initio calculations.JOURNAL OF CHEMICAL PHYSICS,161(5). |
MLA | Jiang, Yanrong,et al."A comprehensive study on three typical photoacid generators using photoelectron spectroscopy and ab initio calculations".JOURNAL OF CHEMICAL PHYSICS 161.5(2024). |
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