Calero, SofíaMartin Calvo, AnaHamada, SaidGarcía-Péreza, Elena2026-01-232026-01-232011Chem. Commun., 2011,47, 508-51010.1039/c0cc02194fhttps://hdl.handle.net/10433/25797Gobierno de españa (CTQ2007-63229 y CTQ2010-16077) y Junta de Andalucia (P07-FQM-02595)The performance of Cu-BTC metal organic framework for carbon tetrachloride removal from air has been studied using molecular simulations. According to our results, this material shows extremely high adsorption selectivity in favour of carbon tetrachloride. We demonstrate that this selectivity can be further enhanced by selective blockage of the framework.application/pdfenAttribution-NonCommercial-NoDerivatives 4.0 Internationalhttp://creativecommons.org/licenses/by-nc-nd/4.0/Metal Organic Frameworksjournal articleopen access