Silver impurities effects on CeO2 structural, electronic, magnetic, and optical properties: ab initio study

Bouhlala, Aicha; Halayes, Wissam Tayeb; Doghmane, M.; Chettibi, S.

doi:10.1140/epjb/s10051-022-00437-3

Cited by 3 publications

(1 citation statement)

References 47 publications

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“…The maximal value of 3 eV was obtained for undoped CeO2. The energy band gap values of CeO2 agree with that reported by Bouhlala et al [17] and Kumar et al [18] In general, the addition of Eu2O3 oxide reduced transmittance and hence all the optical constant values (n, k, ɛr, and ɛi). They increased with the increase of the doping ratios (3%-5%), they decreased at (7%), and then increased at (9%), as shown in Table 5.…”

Section: -2 Optical Properties 3-2-1 Optical Characteristics Of Eu2o3...supporting

confidence: 89%

Comparing the Effect of In2O3 and Eu2O3 Impurities on the Structural and Optical Properties of Cerium Oxide

Rasheed,

Hasan

2024

Iraqi Journal of Science

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This work compares the changes in optical and structural properties of cerium oxide (CeO2) when doped with different concentrations (3%,5%,7%, and 9%) of two oxides, In2O3 and Eu2O3. X-ray diffraction and spectrophotometry were employed in the visible, ultraviolet, and near-infrared regions. The findings demonstrated that CeO2 doped with In2O3 and Eu2O3 thin films were polycrystalline and had a cubic structure. The crystal size increased from 20.5 to 32.15 when Eu2O3 doping ratio increased from 0% to 7% and then decreased to 28.46 nm at 9%. While the crystal size showed an increase from 20.5 to 21.42 nm with the increase of the In2O3 doping ratio, while the lattice constant measured for cubic CeO2 changed opposite to that. The optical measurement showed that Eu2O3 and In2O3 doped CeO2 thin films have a direct band gap with allowed transition with 3.0 eV for the undoped CeO2. The band gap energy changed in a non-regular manner with the increase of the doping ratio of both oxides. The minimum band gap energy was 1.2 eV obtained for 7% Eu2O3 doped CeO2 thin film, and the minimum band gap energy was 1.4 eV obtained for 9% In2O3 doped CeO2. These results qualify them for use as absorbers in solar cell applications.

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Section: -2 Optical Properties 3-2-1 Optical Characteristics Of Eu2o3...supporting

confidence: 89%

Comparing the Effect of In2O3 and Eu2O3 Impurities on the Structural and Optical Properties of Cerium Oxide

Rasheed,

Hasan

2024

Iraqi Journal of Science

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Theoretical investigations of structural, electronic, magnetic, and optical properties of group V (X = V, Nb, Ta) added CeO2-X materials for optoelectronic applications

Taj,

Khan,

Batool

et al. 2024

J Mol Model

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The impact of molybdenum and tungsten co-doping on the physical properties of CeO₂: First-principles calculations

Bouhlala,

Doghmane,

Halais

et al. 2024

Mod. Phys. Lett. B

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In this study, the WIEN2k code, utilizing the full potential linearized augmented plane wave (FPLAPW) approach within the framework of density functional theory (DFT), explicitly employing the PBEsol approximation, is employed to investigate the fundamental properties of W-doped and (Mo, W) co-doped cubic CeO2. Herein, lattice constants, bulk modulus and cell volumes were evaluated for structural properties. The total density of states (TDOS) for various doped and co-doped CeO2 systems was used to explain the origin of magnetic behavior. The band structure (BS) calculations show that the doped and co-doped materials exhibit semiconductor behavior with a direct bandgap in both spin channels. The calculated total spin magnetic moments of W/CeO2 and (Mo, W)/CeO2 alloys are 2.002[Formula: see text][Formula: see text] and 4.007[Formula: see text][Formula: see text] respectively. Furthermore, the optical absorption shows absorption peaks in the visible range and a redshift. As a result, adding molybdenum and tungsten additives improves the electro-optical properties of previous materials.

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Silver impurities effects on CeO2 structural, electronic, magnetic, and optical properties: ab initio study

Cited by 3 publications

References 47 publications

Comparing the Effect of In2O3 and Eu2O3 Impurities on the Structural and Optical Properties of Cerium Oxide

Comparing the Effect of In2O3 and Eu2O3 Impurities on the Structural and Optical Properties of Cerium Oxide

Theoretical investigations of structural, electronic, magnetic, and optical properties of group V (X = V, Nb, Ta) added CeO2-X materials for optoelectronic applications

The impact of molybdenum and tungsten co-doping on the physical properties of CeO₂: First-principles calculations

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Silver impurities effects on CeO2 structural, electronic, magnetic, and optical properties: ab initio study

Cited by 3 publications

References 47 publications

Comparing the Effect of In2O3 and Eu2O3 Impurities on the Structural and Optical Properties of Cerium Oxide

Comparing the Effect of In2O3 and Eu2O3 Impurities on the Structural and Optical Properties of Cerium Oxide

Theoretical investigations of structural, electronic, magnetic, and optical properties of group V (X = V, Nb, Ta) added CeO2-X materials for optoelectronic applications

The impact of molybdenum and tungsten co-doping on the physical properties of CeO2: First-principles calculations

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The impact of molybdenum and tungsten co-doping on the physical properties of CeO₂: First-principles calculations