Toward the rational design and synthesis of inorganic microporous and related materials

Abstract

The rational design and synthesis of inorganic microporous and related materials is a central topic and is of great challenge in the field of zeolite science. We present here the current development toward the rational design and synthesis of such materials. Employing computational methods, new hypothetical zeolitic frameworks can be generated with desired pore geometries and structural units through constrained assembly of atoms or SBUs in the unit cell. Several strategies to assist in the rational synthesis of target materials have been illustrated including template-aided synthetic approach, building block approach, and knowledge discover data mining (KDD) approach.