Electronic effect on the L3,2 edges generated by Cu 3d and O 1s orbitals in CuO nanofibers, pure and doped with Mn.

Autor: Manuel Fidel Piñón Espitia, María Luisa Camacho Ríos, Daniel Lardizábal Gutiérrez, Martha Teresita Ochoa Lara, Saúl Verdugo Miranda, José Alberto Duarte Moller
Jazyk: English<br />Spanish; Castilian
Rok vydání: 2024
Předmět:
Zdroj: Nova Scientia, Vol 16, Iss 32 (2024)
Druh dokumentu: article
ISSN: 2007-0705
DOI: 10.21640/ns.v16i32.3498
Popis: The present work reports a comparative study on CuO and 3.0% Mn-doped CuO nanofibers (NFs) produced by the electrospinning method. State-of-the-art characterization techniques such as Electron Energy Loss Spectroscopy (EELS) and X-Ray photoelectron Spectroscopy (XPS) have been employed to determine the multivalent states and elucidate their electronic structure at the Cu-L3,2 (2p) edge. The CASTEP code has been used to model CuO (P1) and Mn-doped (C 2/c) with the GGA-PBE functional on the supercomputing system with the Xeon10 module (10 nuclei). Structural characterization was done by using a CM 200 Philips Transmission Electron Microscope (TEM) and the chemical state of surfaces with ESCALAB 250Xi XPS Thermoscientific TM. The NFs present an indirect energy bandgap, Eg = 2.03 eV and 2.85 eV, respectively. The results show that the Cu-L3,2 edge presents degenerate states associated with Cu 2p - O and Cu 3d - O hybridization, indicated as Cu3+.
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