Synthesis and Characterization of Novel Nanoparticles of Lithium Aluminum Iodate LiAl(IO<sub>3</sub>)<sub>4</sub>, and DFT Calculations of the Crystal Structure and Physical Properties
Here we report on the non-hydrothermal aqueous synthesis and characterization of nanocrystalline lithium aluminum iodate, LiAl(IO<sub>3</sub>)<sub>4</sub>. Morphological and compositional analyses were carried out by using scanning electron microscopy (SEM) and energy-dispers...
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MDPI AG
2021-12-01
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| Series: | Nanomaterials |
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| Online Access: | https://www.mdpi.com/2079-4991/11/12/3289 |
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| author | Rihab Chikhaoui Zoulikha Hebboul Mohamed Abdelilah Fadla Kevin Bredillet Akun Liang Daniel Errandonea Sandrine Beauquis Ali Benghia Jean Christophe Marty Ronan Le Dantec Yannick Mugnier Enrico Bandiello |
| author_facet | Rihab Chikhaoui Zoulikha Hebboul Mohamed Abdelilah Fadla Kevin Bredillet Akun Liang Daniel Errandonea Sandrine Beauquis Ali Benghia Jean Christophe Marty Ronan Le Dantec Yannick Mugnier Enrico Bandiello |
| author_sort | Rihab Chikhaoui |
| collection | DOAJ |
| description | Here we report on the non-hydrothermal aqueous synthesis and characterization of nanocrystalline lithium aluminum iodate, LiAl(IO<sub>3</sub>)<sub>4</sub>. Morphological and compositional analyses were carried out by using scanning electron microscopy (SEM) and energy-dispersive X-ray measurements (EDX). The optical and vibrational properties of LiAl(IO<sub>3</sub>)<sub>4</sub> have been studied by UV-Vis and IR spectroscopy. LiAl(IO<sub>3</sub>)<sub>4</sub> is found to crystallize in the non-centrosymmetric, monoclinic <i>P</i>2<sub>1</sub> space group, contrary to what was reported previously. Theoretical simulations and Rietveld refinements of crystal structure support this finding, together with the relatively high Second Harmonic Generation (SGH) response that was observed. Electronic band structure calculations show that LiAl(IO<sub>3</sub>)<sub>4</sub> crystal has an indirect band gap <inline-formula><math xmlns="http://www.w3.org/1998/Math/MathML" display="inline"><semantics><mrow><msub><mi>E</mi><mrow><mi>gap</mi></mrow></msub><mo>=</mo><mn>3.68</mn></mrow></semantics></math></inline-formula> eV, in agreement with the experimental optical band gap <inline-formula><math xmlns="http://www.w3.org/1998/Math/MathML" display="inline"><semantics><mrow><msub><mi>E</mi><mrow><mi>gap</mi></mrow></msub><mo>=</mo><mn>3.43</mn><mfenced><mn>3</mn></mfenced></mrow></semantics></math></inline-formula> eV. The complex relative permittivity and the refraction index of LiAl(IO<sub>3</sub>)<sub>4</sub> have also been calculated as a function of energy, as well as its elastic constants and mechanical parameters. LiAl(IO<sub>3</sub>)<sub>4</sub> is found to be a very compressible and ductile material. Our findings imply that LiAl(IO<sub>3</sub>)<sub>4</sub> is a promising material for optoelectronic and non -linear optical applications. |
| first_indexed | 2024-03-10T03:26:13Z |
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| id | doaj.art-4990768c30fa42769106a0bcdd1997f9 |
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| language | English |
| last_indexed | 2024-03-10T03:26:13Z |
| publishDate | 2021-12-01 |
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| spelling | doaj.art-4990768c30fa42769106a0bcdd1997f92023-11-23T09:50:33ZengMDPI AGNanomaterials2079-49912021-12-011112328910.3390/nano11123289Synthesis and Characterization of Novel Nanoparticles of Lithium Aluminum Iodate LiAl(IO<sub>3</sub>)<sub>4</sub>, and DFT Calculations of the Crystal Structure and Physical PropertiesRihab Chikhaoui0Zoulikha Hebboul1Mohamed Abdelilah Fadla2Kevin Bredillet3Akun Liang4Daniel Errandonea5Sandrine Beauquis6Ali Benghia7Jean Christophe Marty8Ronan Le Dantec9Yannick Mugnier10Enrico Bandiello11Laboratoire Physico-Chimie des Matériaux (LPCM), Université Amar Telidji de Laghouat, BP 37G, Laghouat 03000, AlgeriaLaboratoire Physico-Chimie des Matériaux (LPCM), Université Amar Telidji de Laghouat, BP 37G, Laghouat 03000, AlgeriaLaboratoire de Physique des Matériaux, Université Amar Telidji de Laghouat, BP 37G, Laghouat 03000, AlgeriaSYstème et Matériaux pour la MÉcatronique (SYMME), University Savoie Mont Blanc, F-74000 Annecy, FranceDepartamento de Física Aplicada—ICMUV—MALTA Consolider Team, Universitat de València, c/Dr. Moliner 50, 46100 Burjassot, València, SpainDepartamento de Física Aplicada—ICMUV—MALTA Consolider Team, Universitat de València, c/Dr. Moliner 50, 46100 Burjassot, València, SpainSYstème et Matériaux pour la MÉcatronique (SYMME), University Savoie Mont Blanc, F-74000 Annecy, FranceLaboratoire de Physique des Matériaux, Université Amar Telidji de Laghouat, BP 37G, Laghouat 03000, AlgeriaSYstème et Matériaux pour la MÉcatronique (SYMME), University Savoie Mont Blanc, F-74000 Annecy, FranceSYstème et Matériaux pour la MÉcatronique (SYMME), University Savoie Mont Blanc, F-74000 Annecy, FranceSYstème et Matériaux pour la MÉcatronique (SYMME), University Savoie Mont Blanc, F-74000 Annecy, FranceDepartamento de Física Aplicada—ICMUV—MALTA Consolider Team, Universitat de València, c/Dr. Moliner 50, 46100 Burjassot, València, SpainHere we report on the non-hydrothermal aqueous synthesis and characterization of nanocrystalline lithium aluminum iodate, LiAl(IO<sub>3</sub>)<sub>4</sub>. Morphological and compositional analyses were carried out by using scanning electron microscopy (SEM) and energy-dispersive X-ray measurements (EDX). The optical and vibrational properties of LiAl(IO<sub>3</sub>)<sub>4</sub> have been studied by UV-Vis and IR spectroscopy. LiAl(IO<sub>3</sub>)<sub>4</sub> is found to crystallize in the non-centrosymmetric, monoclinic <i>P</i>2<sub>1</sub> space group, contrary to what was reported previously. Theoretical simulations and Rietveld refinements of crystal structure support this finding, together with the relatively high Second Harmonic Generation (SGH) response that was observed. Electronic band structure calculations show that LiAl(IO<sub>3</sub>)<sub>4</sub> crystal has an indirect band gap <inline-formula><math xmlns="http://www.w3.org/1998/Math/MathML" display="inline"><semantics><mrow><msub><mi>E</mi><mrow><mi>gap</mi></mrow></msub><mo>=</mo><mn>3.68</mn></mrow></semantics></math></inline-formula> eV, in agreement with the experimental optical band gap <inline-formula><math xmlns="http://www.w3.org/1998/Math/MathML" display="inline"><semantics><mrow><msub><mi>E</mi><mrow><mi>gap</mi></mrow></msub><mo>=</mo><mn>3.43</mn><mfenced><mn>3</mn></mfenced></mrow></semantics></math></inline-formula> eV. The complex relative permittivity and the refraction index of LiAl(IO<sub>3</sub>)<sub>4</sub> have also been calculated as a function of energy, as well as its elastic constants and mechanical parameters. LiAl(IO<sub>3</sub>)<sub>4</sub> is found to be a very compressible and ductile material. Our findings imply that LiAl(IO<sub>3</sub>)<sub>4</sub> is a promising material for optoelectronic and non -linear optical applications.https://www.mdpi.com/2079-4991/11/12/3289precipitationcrystal structureX-ray diffractionscanning electron microscopyoptical spectroscopiescomputer simulations |
| spellingShingle | Rihab Chikhaoui Zoulikha Hebboul Mohamed Abdelilah Fadla Kevin Bredillet Akun Liang Daniel Errandonea Sandrine Beauquis Ali Benghia Jean Christophe Marty Ronan Le Dantec Yannick Mugnier Enrico Bandiello Synthesis and Characterization of Novel Nanoparticles of Lithium Aluminum Iodate LiAl(IO<sub>3</sub>)<sub>4</sub>, and DFT Calculations of the Crystal Structure and Physical Properties Nanomaterials precipitation crystal structure X-ray diffraction scanning electron microscopy optical spectroscopies computer simulations |
| title | Synthesis and Characterization of Novel Nanoparticles of Lithium Aluminum Iodate LiAl(IO<sub>3</sub>)<sub>4</sub>, and DFT Calculations of the Crystal Structure and Physical Properties |
| title_full | Synthesis and Characterization of Novel Nanoparticles of Lithium Aluminum Iodate LiAl(IO<sub>3</sub>)<sub>4</sub>, and DFT Calculations of the Crystal Structure and Physical Properties |
| title_fullStr | Synthesis and Characterization of Novel Nanoparticles of Lithium Aluminum Iodate LiAl(IO<sub>3</sub>)<sub>4</sub>, and DFT Calculations of the Crystal Structure and Physical Properties |
| title_full_unstemmed | Synthesis and Characterization of Novel Nanoparticles of Lithium Aluminum Iodate LiAl(IO<sub>3</sub>)<sub>4</sub>, and DFT Calculations of the Crystal Structure and Physical Properties |
| title_short | Synthesis and Characterization of Novel Nanoparticles of Lithium Aluminum Iodate LiAl(IO<sub>3</sub>)<sub>4</sub>, and DFT Calculations of the Crystal Structure and Physical Properties |
| title_sort | synthesis and characterization of novel nanoparticles of lithium aluminum iodate lial io sub 3 sub sub 4 sub and dft calculations of the crystal structure and physical properties |
| topic | precipitation crystal structure X-ray diffraction scanning electron microscopy optical spectroscopies computer simulations |
| url | https://www.mdpi.com/2079-4991/11/12/3289 |
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