Molecular simulation-based developer screening for molecular glass photoresists

Abstract

Screening of photoresist developers is critical for high-resolution lithography processes. Efficient estimation for photoresist solubility to facilitate the process of developer screening is of both fundamental and practical importance. In this study, we proposed a solubility prediction and developer screening approach for the molecular glass photoresists based on the molecular simulation calculation of two-component solubility parameters. The values of the two-component solubility parameters (δ_{Lennard-Jones} and δ_Coulomb) for 60 solvents were calculated, and their correlation with experimental Hansen solubility parameters was investigated. Meanwhile, the parameters calculation methods of binary mixed solvents with different polarities were systematically investigated. Then, the accuracy of solubility prediction was verified by dissolution experiments and Hansen solubility parameters, revealing that the two-component solubility parameters could reasonably reflect the solubilities of neutral and ionic molecular glass photoresists in most solvents. Furthermore, developer screening schemes using both pure and mixed solvents were investigated based on the two-component solubility parameters, which was further confirmed by the practical lithography experiments. The current method provides a viable approach for characterizing the photoresist solubility and screening appropriate developers, which is beneficial for accelerating the development of photoresist materials.