The creation of van der Waals heterostructures with tunable properties from various combinations of modern 2D materials is one of the promising tasks of nanoelectronics, focused on improving the parameters of electronic nanodevices. This paper is devoted to the theoretical prediction of new configuration of van der Waals heterostructures based on semiconductor 2D materials - blue phosphorus and zinc oxide. Using ab initio methods, we theoretically predict the existence of new three-layer van der Waals zinc oxide/blue phosphorus/zinc oxide (ZnO/BlueP/ZnO) heterostructure with AAA, ABA, ABC layer packing types. It is found that AAA-, ABA-, and ABC-stacked ZnO/BlueP/ZnO heterostructures are semiconductors with a gap of about 0.7 eV. The dynamic conductivity spectra are calculated in the wavelength range of 200–2000 nm. On the basis of the calculation results, the regularities of the formation of the profile the dynamic conductivity spectrum of the ZnO/BlueP/ZnO heterostructure under study are revealed.
In this paper, new structural types of vertical heterostructures based on monolayers of semiconductor and dielectric 2D graphene-like materials are proposed. Using computer modeling methods, it is found that monolayers of borophane, blue phosphorus and gallium nitride can be used to form bilayer and three-layer vertical heterostructures of the following type: gallium nitride/borophane and gallium nitride/blue phosphorus bilayer structures, as well as gallium nitride/blue phosphorus/gallium nitride three-layer structures. It is shown that the constructed atomistic models of vertical heterostructures are energetically stable configurations. It was revealed that the proposed types of vertical heterostructures are characterized by the presence of an energy gap from 0.5 to 1.3 eV in size, which indicates their semiconductor properties.
In this work, the sensory properties of a thin film of a Co3O4 monocrystal 0.5 nm in thick with a (111) plane are studied on the example of alcohol molecules of methanol, ethanol, propanol, and butanol. The regularities in the interaction of alcohol molecules with film surface are investigated. The energy profiles of interaction are calculated and the values of activation energy are determined. It is established that the value of activation energy is determined by the weight of the adsorbed molecule and its configuration relative to the surface of cobalt oxide. The regularity of the change in the electrical resistance of the Co3O4 film during the adsorption of various alcohol molecules was revealed. It is found that the monocrystalline nanostructure of cobalt oxide Co3O4 is very promising as a sensory surface, which makes it possible to register individual molecules.
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