Introduction and application of zeobank: synthesis and structure databases of zeolites and related materials

Abstract

Abstract The synthesis and structure databases of zeolites and related open-framework materials (denoted as Zeobank) have been established, which includes synthesis database, aluminophosphate (AlPO) structure database and hypothetical zeolite structure database. One of the data mining techniques, the decision tree method has been used to investigate the potential relationship between various reaction factors and the resulting structure features, such as secondary building units (SBUs) and largest ring numbers. The rules obtained by data mining greatly enhance the researchers' ability for the rational synthesis of target materials with specified structures. Zeobank will serve as a useful guidance in aiding the rational design and synthesis of zeolitic materials.