The ADOR synthesis of new zeolites: In silico investigation

Abstrakt

Recently, a new strategy for the zeolite synthesis was proposed and successfully applied for severalsystems. This strategy, called ADOR (assembly-disassembly-organization-reassembly), can lead to syn-thesis of many new materials with defined structure and porosity.

Proposed hypothetical structures ofthe UTL, IWW, IWV, IWR, ITH and ITR families are investigated using empirical and DFT calculations withfocus on the relationship between their structure and target synthesis feasibility.

Klíčová slova

• ADOR
• DFT calculations
• zeolites
• synthesis