Incorporating Solvent Effects in DFT: Insights from Cation Exchange in Faujasites

This article is licensed under aCreative Commons Attribution-NonCommercial 3.0 Unported Licence.An T Ta, Ayoub Daouli, Robert Seaton Ullberg, Eric Fonseca, Vanessa Proust, Agn ès Grandjean, Richard Hennig, Hans-Conrad Zur Loye, Michael Badawi, Phillpot R Simon Zeolites are versatile materials renowned for their extra-framework cation exchange capabilities, with applications spanning diverse fields, including nuclear waste treatment. While detailed experimental characterization offers valuable insight, density functional theory... The content of this RSS Feed (c) The Royal Society of Chemistry

Source: RSC - Phys. Chem. Chem. Phys. latest articles - May 2, 2024 Category: Chemistry Authors: An T Ta Source Type: research