Merged-nets enumeration for the systematic design of multicomponent reticular structures

Area of Science:

• Materials Science
• Chemistry
• Crystallography

Background:

• Designing complex multicomponent reticular structures is challenging due to the limited availability of blueprint nets.
• A systematic approach is needed to balance designability and complexity in reticular material synthesis.

Purpose of the Study:

• To establish a "merged-net" approach for the rational design and assembly of multicomponent reticular structures.
• To develop a practical algorithm for identifying and utilizing merged nets in materials design.

Main Methods:

• Mapping node-net relationships among 53 basic edge-transitive nets to create a signature net map.
• Identifying merging net pairs and enumerating 53 distinct merged nets.
• Developing a design algorithm and proposing over 100 multicomponent metal-organic framework platforms.

Main Results:

• Successfully synthesized four classes of multicomponent materials based on merging three-periodic nets.
• Demonstrated the effectiveness of the merged-net approach in creating novel reticular structures.
• Proposed over 100 potential multicomponent metal-organic framework platforms.

Conclusions:

• The merged-net approach provides a systematic and effective strategy for designing intricate multicomponent reticular materials.
• This method significantly accelerates the discovery and synthesis of advanced reticular materials.
• The approach has broad applicability in the field of reticular chemistry and materials science.