Molecular modeling of MCM-41 hybrid materials for CO2 adsorption

Research output: Contribution to conferenceAbstract


The functionalization of MCM-41 surfaces provides novel high surface area materials with various potential applications, including selective CO2 adsorption. A series of MCM-41 models with varying pore diameter were prepared. Analysis and visualization of the molecular behavior at the gas-solid interface offered fresh perspectives towards understanding the molecular interactions in these systems.

Original languageEnglish
Publication statusPublished - 2004
EventACS National Meeting 2004 - Anaheim, United States of America
Duration: 28 Mar 20041 Apr 2004
Conference number: 27th


ConferenceACS National Meeting 2004
Country/TerritoryUnited States of America

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