Аннотация
This paper describes how the efficiency of the active element of a solar cell of gallium arsenide (GaAs) is increased by nickel oxide nanoparticles. The simulated structure of a semiconductor GaAs compound with a diamond-like lattice shows how the intersphere space grid is generated based on the face-centered cubic lattice motif. A theoretically determined optimal concentration of nanoparticles on the surface and the corresponding values of the experimental data are shown. Studies of the electronic structure on small GaAs clusters at n = 18 correspond to a minimum value of –19·238 eV and a maximum value of –5·606 eV for the state n = 0, –2·99 eV and 20·232 eV for the state n = 1, –0·693 eV and –0·03 eV for the state n = 2, –0·16 eV and –2·646 × 10–4 eV for the state n = 3, respectively. Peaks in the spectra sequentially observed within these limits coincide with the maximum value of the wave vector. Spectral variations, depending on the size of the interspheric space and the number of ion cores, correlate well with changes in densities. The electron density structure of GaAs has a complex structure. The maximum probability of finding is concentrated near four Ga ions. When approaching the center, the electron density changes in a wave-like fashion with a small maximum in the center. The results of the calculations show that gallium atoms in clusters with a higher binding energy, as a rule, are located on the surface or in the places of atomic edges, since the atoms of the faces are less consistent. Arsenic atoms are located in the center, surrounded by gallium atoms.