Опубликована: Янв. 1, 2023

Recently, two-dimensional (2D) heterostructures have attracted extensive attention in nanomaterials science. They been successfully fabricated and applied to nanotechnology many fields, such as nanoelectronics, solar cells, sensors, energy stores, quantum information, etc. The most common are 2D-lateral heterostructure (LH) 2D-vertical (VH) where each of them exhibits unique features depending on the direction assembly, i.e., along in-plane or out-of-plane direction. Beyond van der Waals-VH which possess Waals (vdW) interaction, there other types made 2D polar materials that different chemical bonding nature, e.g., bonds with less (e.g., SiC monolayer) more GeC SiGe monolayers) charge transfer between atoms, forming covalent a certain ionicity. goal this work focused shedding light physical aspects LH VH, constructed by ������, GeC, monolayers). This is theoretical study employing Density Functional Theory unravel properties heterostructures. Because an artificial strain will be induced lattice mismatch building heterostructures, effect electronic of, monolayers was first investigated. It found these can tolerate up 8%, induce modifications properties. Interestingly, it ������ undergo direct-indirect band gap transition; while, monolayer undergoes metal-semimetal transition, attractive candidates for Second, systematic aspect polar-LH has conducted. synergistic strain, nature at interface, confinement lead several interesting phenomena. For instance, their modulated tuning domain size, designing interface. Accordingly, lateral spontaneous p-n junction triggered detected implies promising applications visible photocatalyst. Third, roles stacking species arrangement interlayer interactions (including vdW electrostatic forces) stabilizing structure modulating polar-VH were deeply studied. that, addition redistribution net-charge transfer, net also occurs layers leads polarization interfacial region induces built-in electric field helps reduce recombination photogenerated electron-hole pairs.

Язык: Английский