Accelerated Diffusion Following Deprotection in Chemically Amplified Resists

Autor:	Christopher M. Bottoms, Gila E. Stein, Manolis Doxastakis
Rok vydání:	2022
Předmět:	Diffusion Kinetics Polymers Materials Chemistry Molecular Dynamics Simulation Physical and Theoretical Chemistry Monte Carlo Method Surfaces Coatings and Films
Zdroj:	The Journal of Physical Chemistry B. 126:6562-6574
ISSN:	1520-5207 1520-6106
DOI:	10.1021/acs.jpcb.2c03775
Popis:	Polymeric chemically amplified resists (CARs) are critical materials for high-throughput lithographic processes. A photoactivated acid-anion catalyst changes the polymer's solubility via a deprotection reaction, which enables pattern development through selective dissolution. To capture observed reaction kinetics, reaction-diffusion models employ a catalyst diffusivity that is accelerated by reaction. However, the microscopic origin and factors contributing to this phenomena remain unclear. Herein, we employ detailed atomistic molecular dynamics simulations to examine the impact of protecting group removal and material relaxation on catalyst mobility. We report data on polymer density, catalyst dispersion, excess free volume, and segmental dynamics with increasing time/extent of deprotection. We then propose simple kinetic Monte Carlo algorithms that can describe both molecular dynamics simulations of deprotection reactions and experimental data.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_dedup___::6af0000ad3f77bfc1fda7d58f4fbd131 https://doi.org/10.1021/acs.jpcb.2c03775 Zobrazit plný text záznamu