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This article focuses on the application of Cayley graphs for the characterization of nano materials. Nano materials exhibit unique properties and have diverse applications in various fields, including electronics, energy, and medicine. The analysis and understanding of nano materials at the atomic and molecular level are critical for their design and development. Cayley graphs provide a powerful mathematical framework for studying the structural and functional properties of nano materials. This article reviews the existing literature on the utilization of Cayley graphs in nano material research, presents a research methodology employing Cayley graphs for characterization, discusses the results obtained, and concludes with the potential of Cayley graphs in advancing the field of nano materials.