Structural and optical evolution in CeO2 films induced by aluminum doping: A comprehensive study

Result code in IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216305%3A26220%2F26%3A0193390" target="_blank" >RIV/00216305:26220/26:0193390 - isvavai.cz</a>

Result on the web

<a href="https://www.sciencedirect.com/science/article/pii/S0272884224053604?dgcid=author" target="_blank" >https://www.sciencedirect.com/science/article/pii/S0272884224053604?dgcid=author</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1016/j.ceramint.2024.11.262" target="_blank" >10.1016/j.ceramint.2024.11.262</a>

Result language

angličtina

Original language name

Structural and optical evolution in CeO2 films induced by aluminum doping: A comprehensive study

Original language description

This study investigates the impact of aluminum (Al) doping and oxygen vacancies on the structural, electronic, and optical properties of Cerium Oxide (CeO₂) films. The films were fabricated on glass substrates using the sol-gel spin coating method for both undoped and Al doped CeO₂. Theoretical insights from the DFT + U + V method further explore how Al doping and oxygen vacancies influence the electronic structure and optical behavior of ceria. Experimentally, Al doping was found to increase the lattice parameters and reduce the crystallite size without forming secondary phases. Raman spectroscopy revealed a shift to lower wavenumbers in Al-doped samples, while XPS analysis confirmed the presence of both Ce³⁺ and Ce⁴⁺ oxidation states, along with Al³⁺ and O2⁻ ions. Optical measurements showed a decrease in the optical band gap from 3.14 eV to 2.93 eV as the Al concentration increased to 5 %. Additionally, the optical dielectric constant slightly decreased, whereas optical conductivity improved with the incorporation of aluminum. Theoretical calculations show that oxygen vacancies were shown to reduce the band gap by introducing localized Ce³⁺ mid-gap states, while Al doping led to a gradual narrowing of the band gap without creating new states within it. The combination of Al doping and oxygen vacancies resulted in both further band gap narrowing and the appearance of mid-gap states. Optical property calculations revealed that both oxygen vacancies and Al doping reduced the intensity of the dielectric functions at 310 nm. Moreover, these two factors had opposing effects on the electron energy loss spectrum (EELS) at low energies: Al doping induced high-intensity peaks, while oxygen vacancies diminished these peaks.

Czech name

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Czech description

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Type

J_imp - Article in a specialist periodical, which is included in the Web of Science database

CEP classification

—

OECD FORD branch

20504 - Ceramics

Project

—

Continuities

S - Specificky vyzkum na vysokych skolach

Publication year

2025

Confidentiality

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Name of the periodical

Ceramics International

ISSN

0272-8842

e-ISSN

1873-3956

Volume of the periodical

51

Issue of the periodical within the volume

3

Country of publishing house

GB - UNITED KINGDOM

Number of pages

15

Pages from-to

2846-2860

UT code for WoS article

001409849400001

EID of the result in the Scopus database

2-s2.0-85210135606