The ADOR synthesis of new zeolites: In silico investigation

• New zeolite structures based on the ADOR process are reported.
• The relationship between structure and synthesis feasibility is discussed.
• The synthesis feasibility is classified using various approaches based on framework energies, feasibility factors and LID criteria.

Recently, a new strategy for the zeolite synthesis was proposed and successfully applied for several systems. This strategy, called ADOR (assembly–disassembly–organization–reassembly), can lead to synthesis of many new materials with defined structure and porosity. Proposed hypothetical structures of the UTL, IWW, IWV, IWR, ITH and ITR families are investigated using empirical and DFT calculations with focus on the relationship between their structure and target synthesis feasibility.

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