Novel Mechanism-Based Descriptors for Extreme Ultraviolet-Induced Photoacid Generation: Key Factors Affecting Extreme Ultraviolet Sensitivity

Bibliographic Details
Title: Novel Mechanism-Based Descriptors for Extreme Ultraviolet-Induced Photoacid Generation: Key Factors Affecting Extreme Ultraviolet Sensitivity
Authors: Ji Young Park, Hyun-Ji Song, Thanh Cuong Nguyen, Won-Joon Son, Daekeon Kim, Giyoung Song, Suk-Koo Hong, Heeyoung Go, Changmin Park, Inkook Jang, Dae Sin Kim
Source: Molecules, Vol 28, Iss 17, p 6244 (2023)
Publisher Information: MDPI AG, 2023.
Publication Year: 2023
Collection: LCC:Organic chemistry
Subject Terms: photoacid generator (PAG), acid-generation mechanism, chemical amplified resist (CAR), triphenylsulfonium (TPS), extreme ultraviolet (EUV) photoresist, Organic chemistry, QD241-441
More Details: Predicting photolithography performance in silico for a given materials combination is essential for developing better patterning processes. However, it is still an extremely daunting task because of the entangled chemistry with multiple reactions among many material components. Herein, we investigated the EUV-induced photochemical reaction mechanism of a model photoacid generator (PAG), triphenylsulfonium cation, using atomiC–Scale materials modeling to elucidate that the acid generation yield strongly depends on two main factors: the lowest unoccupied molecular orbital (LUMO) of PAG cation associated with the electron-trap efficiency ‘before C–S bond dissociation’ and the overall oxidation energy change of rearranged PAG associated with the proton-generation efficiency ‘after C–S bond dissociation’. Furthermore, by considering stepwise reactions accordingly, we developed a two-parameter-based prediction model predicting the exposure dose of the resist, which outperformed the traditional LUMO-based prediction model. Our model suggests that one should not focus only on the LUMO energies but also on the energy change during the rearrangement process of the activated triphenylsulfonium (TPS) species. We also believe that the model is well suited for computational materials screening and/or inverse design of novel PAG materials with high lithographic performances.
Document Type: article
File Description: electronic resource
Language: English
ISSN: 1420-3049
Relation: https://www.mdpi.com/1420-3049/28/17/6244; https://doaj.org/toc/1420-3049
DOI: 10.3390/molecules28176244
Access URL: https://doaj.org/article/012c9efdd14c4b02a0ffc4e64d12605e
Accession Number: edsdoj.012c9efdd14c4b02a0ffc4e64d12605e
Database: Directory of Open Access Journals
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More Details
ISSN:14203049
DOI:10.3390/molecules28176244
Published in:Molecules
Language:English