MOLECULAR SCREENING AND DESIGN OF METAL-ORGANIC FRAMEWORKS FOR CO_2 CAPTURE, BIOFUEL PURIFICATION AND WATER DESALINATION

摘要

As a unique class of hybrid nanoporous materials, metal-organicrnframeworks (MOFs) have received tremendous interest over the lastrndecade. The variation of metal oxides and the judicious choice ofrncontrollable organic linkers allow the pore size, volume andrnfunctionality to be tailored in a rational manner for designablernarchitectures. MOFs thus provide a wealth of opportunities forrnengineering new functional materials and have been considered asrnversatile candidates for many important potential applications. Here,rnwe give a few case studies to demonstrate molecular screening andrndesign of MOFs for CO_2 capture, biofuel purification, and waterrndesalination.