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

• 成果类型: Article
• 署名作者: Jiang, Hao; Benzaria, Salma; Alsadun, Norah; Jia, Jiangtao; Czaban-Jozwiak, Justyna; Guillerm, Vincent; Shkurenko, Aleksander; Thiam, Zeynabou; Bonneau, Mickaele; Maka, Vijay K.; Chen, Zhijie; Ameur, Zied Ouled; O'Keeffe, Michael; Eddaoudi, Mohamed
• 署名单位: King Abdullah University of Science & Technology; Arizona State University; Arizona State University-Tempe; Northeast Normal University - China
• 刊物名称: SCIENCE
• ISSN/ISSBN: 0036-11597
• DOI: 10.1126/science.ads7866
• 发表日期: 2024-11-08
• 页码: 659-666
• 关键词: metal-organic frameworks; 3-periodic nets; topological analysis; crystal-structures; CONSTRUCTION; tilings; chemistry; ligand

摘要

Rational design of intricate multicomponent reticular structures is often hindered by the lack of suitable blueprint nets. We established the merged-net approach, proffering optimal balance between designability and complexity, as a systematic solution for the rational assembly of multicomponent structures. In this work, by methodically mapping node-net relationships among 53 basic edge-transitive nets, we conceived a signature net map to identify merging net pairs, resulting in the enumeration of 53 merged nets. We developed a practical design algorithm and proposed more than 100 multicomponent metal-organic framework platforms. The effectiveness of this approach is commended by the successful synthesis of four classes of materials, which is based on merging three-periodic nets with the four possible net periodicities. The construction of multicomponent materials based on derived nets of merged nets highlights the potential of the merged-net approach in accelerating the discovery of intricate reticular materials.