DFT Study on CO<sub>2</sub>- and H<sub>2</sub>O-Enhanced Solubility Contrast in Tin-Oxo Cage Photoresists

The tin-oxo cage is a promising photoresist due to tin's large extreme ultraviolet (EUV) photon cross-section and small size. CO<sub>2</sub> and H<sub>2</sub>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<sub>2</sub>/H<sub>2</sub>O (or their hybrid) were examined, revealing that hydroxyl compounds (from the dissociation of H<sub>2</sub>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.

Authors

Institutions

Publication Details

Journal
Langmuir
Published
2025-09-25
DOI
https://doi.org/10.1021/acs.langmuir.5c02055
Citations
1
Primary Topic
Catalytic Processes in Materials Science
Type
article
Field-Weighted Citation Impact
0.52
Controls
|||
ALL TIME
JAN
FEB
MAR
APR
MAY
JUN
JUL
AUG
SEP
OCT
article

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

Fangling Yang, Panpan Zhou, Dongxu Yang, Zongbiao Ye et al.
1 citations
Langmuir
Catalytic Processes in Materials Science
0.52
article

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

Fangling Yang, Panpan Zhou, Dongxu Yang, Zongbiao Ye, Minghui Wang, Yuqi Chen, Fujun Gou
article en
1 citations

Abstract

The tin-oxo cage is a promising photoresist due to tin's large extreme ultraviolet (EUV) photon cross-section and small size. CO<sub>2</sub> and H<sub>2</sub>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<sub>2</sub>/H<sub>2</sub>O (or their hybrid) were examined, revealing that hydroxyl compounds (from the dissociation of H<sub>2</sub>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.

LangmuirVol. 41(39)
Chinese Academy of Sciences (CN), Sichuan University (CN), Chengdu University of Technology (CN), Institute of Optics and Electronics, Chinese Academy of Sciences (CN), Lanzhou University (CN)
Openalex Percentile: Top 33%
Catalytic Processes in Materials Science
0.52
DOISourceOpenAlex
AI Navigator

Ask Laika to Summarize, Analyze, and Connect papers live on the map.

Summarize Papers & Methodologies

Extract key findings, datasets, and comparative methods across publications.

Benchmark Rankings & Visual Analytics

Rank top research institutions, authors, funders, topics, and journals by Field-Weighted Citation Impact (FWCI) and paper volume with instant charts.

Connect Distant Disciplines

Bridge topological clusters on the map to find hidden collaborative intersections.

DFT Study on CO<sub>2</sub>- and H<sub>2</sub>O-Enhanced Solubility Contrast in Tin-Oxo Cage Photoresists — Fangling Yang, Panpan Zhou, et al. · Langmuir (2025) | TGRS Research Map | TGRS