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Recently, Pan Feng's research group from the School of Advanced Materials, Shenzhen Graduate School of Peking University published a research paper entitled " Graph-based discovery and analysis of atomic-scale one-dimensional materials " in the National Science Review .
In the chemical graph theory research method of materials, atoms are defined as points, and the connection relationship between adjacent atoms is defined as edges
The research team first constructed a structural map of the materials in the known crystal structure database based on chemical graph theory, identified the connected structural units in each material and classified them dimensionally, thereby obtaining a series of two-dimensional, one-dimensional and zero-dimensional materials
Common one-dimensional material structure types classified by graph theory
The research team also proposed the concept of cation percolation network based on the structural diagram composed of cation coordination polyhedral structural units
Correlation between cation percolation network and electronic structure in low-dimensional materials
Li Shunning, associate researcher at the School of New Materials, Shenzhen Graduate School of Peking University , Chen Zhefeng, a doctoral student, Wang Zhi, a master graduate, and Weng Mouyi, a doctoral graduate are the co-first authors of the paper, and Professor Pan Feng is the corresponding author
