Screening 0D Materials for 2D Nanoelectronics Applications

As nanoelectronic devices based on two-dimensional (2D) materials are moving towards maturity, optimization of the properties active 2D material must be accompanied by equal attention to optimizing and interfaces other around it, such as electrodes, gate dielectrics, substrate. While these usually either or 3D materials, recently K. Liu et al. [Nat. Electron. 4, 906 (2021)] reported use zero-dimensional (0D) material, consisting vdW-bonded Sb$_2$O$_3$ clusters, a highly promising insulating substrate dielectric. Here, we report computational screening study find 0D for in nanoelectronics applications, conjunction with particular. By combining database literature searches, found 16 belonging 6 structural prototypes high melting points band gaps, range static dielectric constants. We carried out additional first-principles calculations evaluate selected technologically relevant properties, confirmed that all van der Waals-bonded, thus allowing facile separation clusters from host also weakly perturbing electronic after deposition.