journal article·2025-10-07

DFT Study on CO2- and H2O-Enhanced Solubility Contrast in Tin-Oxo Cage Photoresists

Fang-Ling Yang, Zong-Biao Ye, Dongxu Yang, Ming-Hui Wang, Yu-Qi Chen, Pan-Pan Zhou, Fu-Jun Gou

Langmuir· Volume 41· Issue 39
Publisher page

Abstract

The tin-oxo cage is a promising photoresist due to tin’s large extreme ultraviolet (EUV) photon cross-section and small size. CO 2 and H 2 O play a crucial role in increasing the solubility contrast of tin-oxo cages in deep ultraviolet (DUV) and EUV lithography. However, the internal reaction mechanisms remain largely unknown. This work systematically investigated the cleavage of carbon–tin bonds in tin-oxo cages by density functional theory (DFT) upon diverse irradiation (DUV and EUV). Subsequently, the interactions of the resulting intermediates with CO 2 /H 2 O (or their hybrid) were examined, revealing that hydroxyl compounds (from the dissociation of H 2 O) serve as pivotal precursors to trigger new cross-linking reactions (forming Sn–O–Sn and Sn–OCO–Sn products) and enhance the solubility switch. These theoretical results provide insight into the atomic-scale mechanisms of small molecules improving photoresist properties, offering new perspectives for the design and optimization of novel photoresist materials.
Source: openalex_inverted_index · Quality: baseline

Research context

OpenAlex topics: Catalytic Processes in Materials Science · CO2 Reduction Techniques and Catalysts · Catalysis and Oxidation Reactions

SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.

Affiliations

Key Laboratory of Radiation Physics and Technology, Ministry of Education, Institute of Nuclear Science and Technology, Sichuan University, No. 24 South Section 1, Yihuan Road, Chengdu 610065, People’s Republic of China

State Key Laboratory of Optical Technologies on Nano-Fabrication and Micro-Engineering, Institute of Optics and Electronics

Chinese Academy of Sciences

College of Physic, Sichuan University, No. 24 South Section 1, Yihuan Road, Chengdu 610065, People’s Republic of China

State Key Laboratory of Applied Organic Chemistry, Key Laboratory of Nonferrous Metal Chemistry and Resources Utilization of Gansu Province, College of Chemistry and Chemical Engineering, Lanzhou University, No. 222 South Tianshui Road, Lanzhou 730000, People’s Republic of China

Funding

Sichuan University · Science and Technology Department of Sichuan Province

References (67)

Show source-provided references
1. 10.1007/s41871-018-0016-910.1007/s41871-018-0016-9 ↗
2. 10.1002/adma.20150117110.1002/adma.201501171 ↗
3. 10.1021/acsami.9b1900410.1021/acsami.9b19004 ↗
4. 10.2494/photopolymer.32.19510.2494/photopolymer.32.195 ↗
5. van de Kerkhof M. · 2020 · 11323 · 239
6. Brainard R. L. · 2004 · 5374 · 7410.1117/12.536411 ↗
7. 10.1016/j.ccr.2023.21530710.1016/j.ccr.2023.215307 ↗
8. 10.1117/1.JMM.15.3.03350610.1117/1.JMM.15.3.033506 ↗
9. 10.1016/j.cis.2024.10319710.1016/j.cis.2024.103197 ↗
10. 10.3390/nano1216275410.3390/nano12162754 ↗
11. 10.1038/s43586-024-00361-z10.1038/s43586-024-00361-z ↗
12. 10.1117/1.JMM.18.4.04350410.1117/1.JMM.18.4.043504 ↗
13. Robinson A. · 2016 · 1110.1016/B978-0-08-100354-1.00013-2 ↗
14. 10.1016/B978-0-08-100354-1.00002-810.1016/B978-0-08-100354-1.00002-8 ↗
15. 10.2494/photopolymer.29.50110.2494/photopolymer.29.501 ↗
16. 10.1039/C9RA08977B10.1039/C9RA08977B ↗
17. Mattson E. C. · 2018 · 10583 · 49
18. Castellanos S. · 2018 · 10583 · 58
19. 10.1021/acs.jpclett.1c0387710.1021/acs.jpclett.1c03877 ↗
20. 10.1021/acs.nanolett.9b0191110.1021/acs.nanolett.9b01911 ↗
21. 10.1002/smtd.20230030910.1002/smtd.202300309 ↗
22. 10.1039/D0TC03597A10.1039/D0TC03597A ↗
23. 10.1039/D3TA00115F10.1039/D3TA00115F ↗
24. 10.1002/ejic.20190074510.1002/ejic.201900745 ↗
25. 10.1021/acs.chemmater.8b0314910.1021/acs.chemmater.8b03149 ↗
26. 10.1021/acsami.1c1241110.1021/acsami.1c12411 ↗
27. 10.1063/5.020063010.1063/5.0200630 ↗
28. 10.1117/1.JMM.16.3.03351010.1117/1.JMM.16.3.033510 ↗
29. 10.1016/j.mee.2018.11.01110.1016/j.mee.2018.11.011 ↗
30. 10.1021/acsanm.9b0238710.1021/acsanm.9b02387 ↗
31. 10.1002/ange.20170170310.1002/ange.201701703 ↗
32. 10.1002/crat.20170008110.1002/crat.201700081 ↗
33. Grenville A. · 2015 · 9425 · 225
34. 10.1016/j.mee.2014.04.02410.1016/j.mee.2014.04.024 ↗
35. 10.1021/ic00129a02310.1021/ic00129a023 ↗
36. 10.1021/acsami.4c0863610.1021/acsami.4c08636 ↗
37. 10.1021/acsami.0c2194210.1021/acsami.0c21942 ↗
38. 10.1021/acs.chemmater.9b0144010.1021/acs.chemmater.9b01440 ↗
39. 10.1039/D1CP03148A10.1039/D1CP03148A ↗
40. 10.1103/PhysRevLett.82.254410.1103/PhysRevLett.82.2544 ↗
41. 10.1063/1.166529810.1063/1.1665298 ↗
42. 10.3131/jvsj.48.23510.3131/jvsj.48.235 ↗
43. Hehre W. · J. Chem. Phys. · 1972 · 56 · 32
44. 10.1063/1.44897510.1063/1.448975 ↗
45. 10.1063/1.44880010.1063/1.448800 ↗
46. 10.1063/1.44879910.1063/1.448799 ↗
47. Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Scalmani, G.; Barone, V.; Petersson, G. A.; Nakatsuji, H. Gaussian 16; Gaussian Inc.: Wallingford, CT, 2016.
48. 10.1021/j100377a02110.1021/j100377a021 ↗
49. 10.1021/ar00072a00110.1021/ar00072a001 ↗
50. 10.1021/ct050276310.1021/ct0502763 ↗
51. 10.1016/0263-7855(96)00018-510.1016/0263-7855(96)00018-5 ↗
52. 10.1016/j.mattod.2023.05.02710.1016/j.mattod.2023.05.027 ↗
53. 10.1021/acs.chemmater.3c0262810.1021/acs.chemmater.3c02628 ↗
54. 10.1039/D3NJ01464A10.1039/D3NJ01464A ↗
55. Cardineau B. · 2014 · 9051 · 335
56. 10.1021/acs.inorgchem.9b0358910.1021/acs.inorgchem.9b03589 ↗
57. 10.1021/ar00109a00310.1021/ar00109a003 ↗
58. 10.1016/j.cplett.2003.11.04810.1016/j.cplett.2003.11.048 ↗
59. 10.1002/jcc.2288510.1002/jcc.22885 ↗
60. 10.1002/anie.19840627110.1002/anie.198406271 ↗
61. 10.1021/jacs.9b0684510.1021/jacs.9b06845 ↗
62. Ma J. H. · 2020 · 11323 · 349
63. 10.1016/j.molliq.2023.12310810.1016/j.molliq.2023.123108 ↗
64. 10.1021/acs.inorgchem.0c0098010.1021/acs.inorgchem.0c00980 ↗
65. 10.1021/ja100936w10.1021/ja100936w ↗
66. 10.1021/acs.jpcc.3c0748010.1021/acs.jpcc.3c07480 ↗
67. 10.2494/photopolymer.30.9910.2494/photopolymer.30.99 ↗