MOLECULAR SCREENING AND DESIGN OF METAL-ORGANIC FRAMEWORKS FOR CO2 CAPTURE, BIOFUEL PURIFICATION AND WATER DESALINATION

摘要

As a unique class of hybrid nanoporous materials, metal-organic frameworks (MOFs) have received tremendous interest over the last decade. The variation of metal oxides and the judicious choice of controllable organic linkers allow the pore size, volume and functionality to be tailored in a rational manner for designable architectures. MOFs thus provide a wealth of opportunities for engineering new functional materials and have been considered as versatile candidates for many important potential applications. Here, we give a few case studies to demonstrate molecular screening and design of MOFs for CO2 capture, biofuel purification, and water desalination.