Each thrust relates to the core theme of UNCAGE-ME - to develop a fundamental understanding of how acid gas interactions with materials are impacted and controlled by confinement effects, surfaces, defects, and dopants.
Thrust I: The objective of Thrust I is to gain a molecular level understanding of the surface chemistry of acid gas interaction with model sorbents (oxides) and catalysts (supported metals and oxides) and their structural evolution.
Thrust II: The objective of Thrust II is to create a body of knowledge that ultimately relates MOF structure to its stability and degradation characteristics upon interaction with acid gases. This includes developing atomically detailed models of MOF external surfaces under pristine conditions and after acid-gas exposure to compare properties of MOF surfaces to the bulk materials.
Thrust III: Efforts using crystallographically ordered porous materials in Thrust II will be complemented by Thrust III, which will center on disordered porous materials including templated or carbide-derived carbons and supported amines. Thrust III aims to create a body of knowledge that ultimately relates the support structure and amines/heteroatoms/defects to its interaction, stability and/or degradation characteristics in the presence of acid gases.