First-Principles Calculation and X-ray Photoelectron Spectroscopy of Rutile-Like Transition Metal Oxides TiO2 and MoO2

The results of studying the electronic structure of transition-metal oxides TiO 2 and MoO 2 with a rutile-type crystal structure are presented. The electronic structure is studied theoretically within the framework of the linearized augmented-plane-wave method using the Wien2k software package. The...

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Veröffentlicht in:	Nanobiotechnology Reports (Online) 2024-04, Vol.19 (2), p.237-242
Hauptverfasser:	Manyakin, M. D., Kurganskii, S. I., Boikov, N. I., Kakuliia, I. S., Kannykin, S. V., Chuvenkova, O. A., Chumakov, R. G., Lebedev, A. M., Turishchev, S. Yu
Format:	Artikel
Sprache:	eng
Schlagworte:	Band theory Banded structure Chemistry and Materials Science Crystal structure Electrical resistivity Electron states Electronic structure Energy bands Excitation spectra First principles Industrial and Production Engineering Machines Manufacturing Materials Science Molybdenum oxides Nanomaterials for Functional and Structural Purposes Nanotechnology Photoelectrons Plane waves Processes Rutile Spectroscopic analysis Titanium dioxide Transition metal oxides Valence band X ray photoelectron spectroscopy
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