Advanced science: a database of grain boundary structures in 2D monoclinic rhenium disulfide

Since the discovery of spkds as a new two-dimensional material it has attracted wide attention. From graphene with high symmetry to black phosphorus with low symmetry numerous transition metal disulfide compounds the excellent properties of these materials in optical electrical magnetic other fields are all attributed to the unique properties of their atomic structure. As a common defect grain boundary can be produced by electron irradiation annealing which has a significant impact on the electrical mechanical properties of materials. Therefore combined with the ultra-thin characteristics of two-dimensional materials it is very important to explore the grain boundary its atomic structure for the development of strain adjustable applications of two-dimensional materials.

recently the growth preparation of rhenium disulfide which has the lowest symmetry in two-dimensional materials has been realized. The anisotropic atomic structure of rhenium disulfide makes it different from other two-dimensional materials in properties. As far as the grain boundary is concerned the grain boundary of graphene can be divided into large angle grain boundary small angle grain boundary twin boundary caused by its antisymmetry. For molybdenum disulfide with relatively low symmetry the orientation of sulfur atoms on both sides of the twin boundary can be refined into "up" "down" types. Obviously there are more kinds of grain boundaries in the more complex two-dimensional monoclinic rhenium disulfide. The research group of two-dimensional chemical vapor deposition of rhenium is composed of Li Qinghui Zhao Jiong from the second Department of chemical vapor deposition of Hong Kong Normal University. The grain boundaries of rhenium disulfide can be classified into four categories according to the high / low grain face index the consistency of rhenium atom spacing on both sides of the grain boundary. For the low index grain boundary there is the twin boundary in the traditional definition there are two kinds of twin boundary: the orientation of sulfur atoms on both sides is consistent / inconsistent. The formation of twins depends on the different orientations of the atoms at the two sides of the s interface The orientation of. It is observed that the twin boundaries some short low index asymmetric grain boundaries produced by electron beam irradiation / or mechanical deformation are mobile while some grain boundaries may be fixed by dislocations. At the same time the mobility of grain boundaries can also be changed by the influence of surrounding environment such as defects stresses. The research team also obtained consistent conclusions with the experimental observation from the dynamic model DFT theoretical calculation proved the relationship between the origin mobility category of grain boundary from the energy point of view.

through the dynamic analysis of various types of grain boundaries researchers believe that the control of growth mechanical stress other conditions can create change the grain boundaries of rhenium disulfide similar monoclinic materials thus enriching their applications in electrical magnetic fields.

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