The Periodic Table of Elements, which represents the periodic changes in the physical and chemical properties of atoms (periodic law), has contributed significantly to the development of the natural sciences since it was proposed by the Russian chemist Mendeleev 150 years ago.

　If such a periodic law is discovered even in higher-order substances consisting of multiple atoms, it will be a useful index in the world of material science, as opposed to the elemental periodic table that deals with the properties of a single atom. no doubt.However, higher-order substances have various factors such as size, composition, and shape, and simple classification is difficult.

　In this research, we focus on the geometric symmetry of minute substances (nano substances) such as molecules, and apply computer simulation and group theory to create a "symmetrical conforming orbital model" that can predict the energy state of nano substances. It was constructed.By evaluating nanomaterials based on this model, it is possible to accurately predict shape, properties, stability, etc.

　Also, just as the origin of atomic periodic law is in the electron configuration, the properties of nanomaterials are also determined by the electron configuration, and the electron orbits of nanomaterials follow a certain rule for each geometric symmetry. It was also found by this study that there is periodic law.In addition to the "group" and "period" in the conventional elemental periodic table, this periodic table has been successfully expressed in a multidimensional periodic table with new axes of "class" and "species". "There are different things for each geometric symmetry.By designing and searching for nanomaterials according to this periodic table, we can expect the creation of unknown materials and new functional materials.

Paper information:[Nature Communications] Periodicity of molecular clusters based on symmetry-adapted orbital model