13,353 results on '"Absorption edge"'
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2. Investigation of the Absorption Edge and the Optical Bandgap of PVA/PVP-based Thin Films
- Author
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Elkattan, Mohamed and Gad, Michael
- Published
- 2024
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3. A High‐Temperature Optical Spectroscopy Study of the Fundamental Absorption Edge in the LiNbO3–LiTaO3 Solid Solution.
- Author
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Gaczyński, Piotr, Suhak, Yuriy, Ganschow, Steffen, Sanna, Simone, Fritze, Holger, and Becker, Klaus‐Dieter
- Abstract
An optical spectroscopy study is reported of single crystals of the LiNbO3–LiTaO3 solid solution. The spectra are dominated by the fundamental absorption edges. The direct band‐to‐band transitions in congruent LiNbO3 (LN) and LiTaO3 (LT) as well as in selected compositions of solid solutions grown from mixtures of the congruently melting end members are studied at temperatures up to 1200 °C. At room temperature, the direct optical bandgaps of congruent LN and LT assume values of about 4.0 and 4.6 eV, respectively. With rising temperatures, the absorption edges are found to shift to lower energies. The isothermal composition dependence of bandgaps is a far from linear by going through a minimum. This behavior is maintained up to the highest temperatures of our study. At about 600 °C, congruent LT undergoes a structural transition from the ferroelectric to the paraelectric phase. This is reflected by a change in the temperature dependence of the gap energy indicating structure‐related changes in electron–phonon coupling. [ABSTRACT FROM AUTHOR]
- Published
- 2024
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4. Effect of Dopant Concentration and Crystalline Structure on Absorption Edge of ZnO:B Films.
- Author
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Turko, B., Sadovyi, B., Vasil’yev, V., Eliyashevskyy, Y., Kulyk, Y., Vas’kiv, A., Bihun, R., Apopii, V., and Kapustianyk, V.
- Subjects
CRYSTAL structure ,DOPING agents (Chemistry) ,ZINC oxide films ,MAGNETRON sputtering ,THIN films ,ABSORPTION - Abstract
The crystalline structure and absorption spectra of thin ZnO films with different levels of B doping are studied. The films are deposited on the glass substrates using the radio-frequency magnetron sputtering without targetedsubstrates’ heating. The concentration of free charge carriers is estimated. The observed ‘blue’ shift of the fundamental absorption edge in the ZnO:B films with increasing of doping level is explained by the Burstein–Moss effect. [ABSTRACT FROM AUTHOR]
- Published
- 2024
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5. Broad-range high-resolution optical spectroscopy of CH3NH3PbBr3 hybrid perovskite single crystals: Optical phonons, absorption edge, phase transitions
- Author
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Vasilisa E. Anikeeva, Kirill N. Boldyrev, Olga I. Semenova, Taisiya S. Sukhikh, and Marina N. Popova
- Subjects
Hybrid perovskite CH3NH3PbBr3 ,Large single crystals ,High-resolution optical spectroscopy ,Phonons ,Absorption edge ,Structural phase transitions ,Applied optics. Photonics ,TA1501-1820 ,Optics. Light ,QC350-467 - Abstract
Vibrational and structural properties have an enormous influence on optoelectronic properties of hybrid halide perovskites CH3NH3PbX3 (X = I, Br, Cl), which are perspective materials for different photovoltaic applications. Here, we report results of the first high-resolution optical spectroscopy measurements of large CH3NH3PbBr3 single crystals in wide frequency (20–20 000 cm−1) and temperature (5–300 K) ranges. Fit of polarized far-infrared reflection spectra using Lorentz model of damped oscillators revealed parameters of three phonons at room temperature and 38 phonons at 10 K. An analysis of mid-infrared transmission spectra gave evidence of a strong anharmonicity in this hybrid perovskite. A splitting of some lines observed in the orthorhombic phase was presumably assigned to the tunneling of the CH3NH3+ cation molecule between several potential energy minima. The temperature behavior of the transmission spectra near the fundamental absorption edge was tentatively explained by the competition between two different exciton transitions in CH3NH3PbBr3. Positions of spectral lines and of the absorption edge measured at cooling and heating the sample demonstrate hysteresis loops in the vicinities of phase transitions around 237, 155, and 149 K, thus revealing the first-order nature of all three phase transitions in CH3NH3PbBr3.
- Published
- 2023
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6. Low-temperature studies of the absorption spectra of Alq3 thin film.
- Author
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Turko, B., Rudko, M., Hryzak, L., Vasil'yev, V., Klym, H., and Karbovnyk, I.
- Subjects
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ABSORPTION spectra , *THIN films , *BAND gaps , *TRANSITION temperature - Abstract
For the first time, the temperature evolution of the absorption spectra of Alq3 thin film, prepared by the method of vacuum thermal evaporation, was investigated in the range of 16–320 K. The optical energy gaps were obtained from direct allowed transitions at this temperature range by means of Tauc plots. [ABSTRACT FROM AUTHOR]
- Published
- 2023
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7. What is the true value of bulk band gap of lithium tetraborate single crystal?
- Author
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Ya.V. Burak, V.T. Adamiv, I.M. Teslyuk, I.Ye. Moroz, and S.Z. Malynych
- Subjects
lithium tetraborate ,band gap ,absorption edge ,crystal structure ,Physics ,QC1-999 - Abstract
Substantial variances in the bulk band gap of lithium tetraborate single crystal determined from numerous theoretical calculations as well as from experimental measurements give rise to the problem what is the true value of Eg for that crystal. In this review, we analyze in detail all available theoretical and experimental data regarding the bulk band gap published by different authors and suggest that the experimental value of = (7.5 ± 0.3) eV determined from the optical absorption edge is the most appropriate value. This is in good agreement with Eg = 7.5 eV calculated via modified linear combination of atomic orbitals (LCAO) method.
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- 2022
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8. Dispersion of titania TiO2-II high-pressure phase based on ellipsometric measurements.
- Author
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Kasikov, Aarne, Aarik, Lauri, and Mändar, Hugo
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ATOMIC layer deposition , *OPTICAL dispersion , *TITANIUM dioxide , *REFRACTIVE index , *THIN films - Abstract
The optical properties of scrutinyite type TiO 2 (TiO 2 -II) were calculated using Bruggeman effective media approximation for thin films containing epitaxial rutile and TiO 2 -II. For that TiO 2 thin films containing only epitaxial rutile and containing rutile together with TiO 2 -II were used. The films were synthesized using TiCl 4 and O 3 on r-plane and c-plane sapphire at 450 °C by atomic layer deposition. Films deposited on r-plane sapphire and containing only epitaxial rutile were used for the evaluation of the optical properties of rutile. The optical dispersion of TiO 2 -II was calculated from ellipsometric measurements using the pre-evaluated optical dispersion of rutile and implementing the Bruggeman effective media approximation for two-phase rutile + TiO 2 -II films. The refractive index of TiO₂-II was found to be lesser i.e. 2.61 when compared to 2.7 of epitaxial rutile phase for measurements performed at 633 nm. The absorption edge of TiO₂-II phase has been determined to be about 3.2 eV for indirect transitions, approximately close to that of rutile. [Display omitted] • Mixed rutile + TiO 2 -II film is turned to epitaxial rutile annealing it to 1000 °C. • Rutile dispersion and absorption edge are obtained using ellipsometry. • Bruggeman EMA is used to find optical parameters of one component in a mix. • Epitaxial TiO 2 -II phase optical dispersion is found. [ABSTRACT FROM AUTHOR]
- Published
- 2024
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9. A Study of the Absorption Edge of ZnO Thin Films Prepared by the Spray Pyrolysis Method
- Author
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Ikhmayies, Shadia J., Li, Jian, editor, Zhang, Mingming, editor, Li, Bowen, editor, Monteiro, Sergio Neves, editor, Ikhmayies, Shadia, editor, Kalay, Yunus Eren, editor, Hwang, Jiann-Yang, editor, Escobedo-Diaz, Juan P., editor, Carpenter, John S., editor, Brown, Andrew D., editor, Soman, Rajiv, editor, and Moser, Alex, editor
- Published
- 2021
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10. Features of the defect structure of a lithium-gradient nonlinear optical single crystal LiNbO 3 and their manifestation in the Raman spectra.
- Author
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Sidorov NV, Pyatyshev AY, Galutskiy VV, Stroganova EV, and Skrabatun AV
- Abstract
LiNbO
3 crystal with a lithium composition gradient of Li/Nb = 0.8 wt%/cm (Li0.97..1.01 Nb1.03..0.99 O3 ) were obtained. A monotonic change in the edge of the UV absorption edge is observed when scanning the surface of the gradient crystal along the growth direction. Raman spectra from different areas of studied crystal were analyzed in a wide frequency range, which includes the region of fundamental vibrations of the crystal lattice (100-900 cm-1 ) and the region of overtone processes (900-3000 cm-1 ). A compositionally homogeneous, congruent LiNbO3 crystal was used as a comparison sample. It was found that in the spectra obtained from different parts of the gradient crystal, there is a significant scatter in the frequency values of the lines corresponding to the fundamental vibrations of the crystal lattice, but at the same time, the number of lines corresponding to the fundamental vibrations of the lattice for the gradient and compositionally homogeneous LiNbO3 crystals is the same. Moreover, in the spectrum of a gradient crystal in the region of overtone processes of fundamental vibrations, significantly more lines (35 lines) are observed than in the spectrum of compositionally homogeneous crystals (15 lines). The data obtained show that the state of the defect structure of compositionally homogeneous crystals and gradient LiNbO3 crystal is significantly different. The discovered differences between the defective structure of a gradient crystal and the defective structure of a compositionally homogeneous crystal may be the reason for compensation (damping) of distortions during nonlinear optical conversion of laser radiation by a gradient crystal due to the uneven temperature distribution along the length of the crystal. In compositionally homogeneous crystals, such temperature distortions significantly limit the efficiency of nonlinear optical conversion., Competing Interests: Declaration of competing interest The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper., (Copyright © 2024 Elsevier B.V. All rights reserved.)- Published
- 2024
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11. Simple derivation of L-absorption spectra of 3d transition metal elements by the self-absorption effect observed in soft X-ray emission spectra.
- Author
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Terauchi M, Sato YK, Yokoyama TD, and Murano T
- Abstract
This study proposes a simple evaluation method for deriving L-absorption information from two L-emission spectra of 3d transition metal (TM) elements obtained at two different accelerating voltages. This method realizes a spatial identity for X-ray emission and absorption spectroscopies. This method was evaluated for the Fe L-emission spectra of Fe and its oxides and was applied to the TM L-emission spectra of MnO, Co, CoO and NiO. The derived absorption peak positions were consistent with those obtained previously at synchrotron orbital radiation facilities, which considered the core-hole effect. This simple derivation method could be useful for obtaining X-ray absorption spectroscopy distribution images from X-ray emission spectroscopy mapping data obtained by scanning electron microscopy., (© The Author(s) 2024. Published by Oxford University Press on behalf of The Japanese Society of Microscopy. All rights reserved. For commercial re-use, please contact reprints@oup.com for reprints and translation rights for reprints. All other permissions can be obtained through our RightsLink service via the Permissions link on the article page on our site–for further information please contact journals.permissions@oup.com.)
- Published
- 2024
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12. Huge redshift of absorption edge in a novel Z-type Bi2Sn2O7/α-Bi2O3 junction for highly efficiently visible light degradation of norfloxacin and bisphenol AF.
- Author
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Yu, Man, Zuo, Kaitian, Ding, Bangfu, Zheng, Shukai, Zhang, Lei, Mao, Liang, and Zhang, Junying
- Subjects
VISIBLE spectra ,SEWAGE purification ,NORFLOXACIN ,REDSHIFT ,IRRADIATION ,SEWAGE ,ELECTRIC countershock - Abstract
Heterojunction was mainly used to realize the separation of charge carrier in current studies, but it did not bring about any other effect. In this paper, Bi 2 Sn 2 O 7 was introduced into α-Bi 2 O 3 to construct a direct Z-type Bi 2 Sn 2 O 7 /α-Bi 2 O 3 heterojunction. It not only accelerated the rapid separation of electrons and holes, but also induced a huge redshift of absorption edge to enlarge the visible light absorption range. Such result led into the optimal sample being able to degrade 95% of norfloxacin and 92% of bisphenol AF for 90 min of visible light irradiation. Under the same testing conditions, the removal efficiency of these two pollutants in the drinking water also attained 94% and 90% to demonstrate a good application. Moreover, the cycling test results indicated that the Bi 2 Sn 2 O 7 /α-Bi 2 O 3 could be sustainably utilized. The electrons, holes, superoxide radical (
• O 2- ) and hydroxyl radical (• OH) were the active substances in the process of degradation. The numbers of the Escherichia coli were 0.69×106 CFU/mL and 0.75×106 CFU/mL in the solutions after degradation to denote non-toxicity of the final products. Thus the Bi 2 Sn 2 O 7 /α-Bi 2 O 3 composite could be applied in purification of various waste waters. [Display omitted] • Introducing Bi 2 Sn 2 O 7 into α-Bi 2 O 3 to redshift absorption edge. • Visible light absorption was enhanced to generate more charge carriers. • Such result led into highly efficient degradation of norfloxacin and bisphenol AF. • The sample also degraded pollutants from domestic wastewater. • Good growth of Escherichia coli indicated that the final product was non-toxic. [ABSTRACT FROM AUTHOR]- Published
- 2024
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13. Linear and Nonlinear Optical Characterization of Dye–Polymer Composite Films Based on Methylcellulose Incorporated with Varying Content of Methylene Blue.
- Author
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Abdullah, Omed Gh., Salh, Dler M., Mohamad, Azhin H., Jamal, Gelas M., Ahmed, Hawzhin T., Mustafa, Bakhan S., and Suhail, Mahdi H.
- Subjects
BAND gaps ,METHYLCELLULOSE ,OPTICAL susceptibility ,REFRACTIVE index ,ENERGY bands - Abstract
Compositional dependence of the linear and nonlinear optical characteristics of dye–polymer composite (DPC) films based on methylcellulose-methylene blue (MC-MB) were studied. The absorbance spectra were used to estimate absorption edge, optical density, skin depth, optical band gap energy, and Urbach's parameters for all DPC films. The direct allowed optical band gap energy decreased from 6.29 eV for pure MC to 5.95 eV when doped with 2.5 wt.% of MB. The dispersion of the refractive index is discussed in terms of both the single-oscillator Wemple–DiDomenico and single Sellmeier oscillator models. The nonlinear optical characteristics such as the third-order nonlinear optical susceptibility and nonlinear refractive index were calculated using the dispersive oscillator parameters obtained from the single-oscillator model. The observed improvements in the linear and nonlinear optical characteristics of MC upon incorporating MB make the present DPC a potential candidate for multifunctional applications like optoelectronic and photonic devices. [ABSTRACT FROM AUTHOR]
- Published
- 2022
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14. Photoluminescence of Ag8SnSe6 argyrodite.
- Author
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Semkiv, I., Ilchuk, H., and Kashuba, N.
- Subjects
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PHOTOLUMINESCENCE , *VISIBLE spectra , *IONIZATION energy , *ACTIVATION energy , *BAND gaps , *PHOTOLUMINESCENCE measurement - Abstract
A basic study of the low-temperature photoluminescence of an Ag8SnSe6 argyrodite compound is reported. Measurements were performed on wafers grown by the direct melting of a high-purity stoichiometric mixture of elementary Ag, Sn, and Se in a sealed silica ampoule. Two peaks with maxima located at 0.85 and 0.95 eV were visible in the photoluminescence spectra of an Ag8SnSe6 argyrodite. The temperature and excitation dependences of the dominant peak at 0.85 eV suggest that this transition can be associated with donor-acceptor recombination. The activation energies of the defects involved in this transition were calculated based on temperature-dependent photoluminescence and transmission measurements. We found the ionization energies to be at 44 and 72 meV for the shallower and deeper defects, respectively. The second peak in the spectra at 0.95 eV was assigned to a band-to-band transition or a transition between band tails. [ABSTRACT FROM AUTHOR]
- Published
- 2022
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15. Preparation, electronic structure and optical properties of Na2GeSe3 crystals.
- Author
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Bletskan, D. I., Vakulchak, V. V., Mykaylo, I. L., and Mykaylo, O. A.
- Subjects
- *
CRYSTAL optics , *ELECTRONIC structure , *ELECTRONIC density of states , *ATOMIC orbitals , *CRYSTAL chemical bonds , *CHEMICAL bonds - Abstract
From the first principles, in the framework of the density functional theory in LDA and LDA+U approximations, the band structure, total and partial densities of electronic states, spatial distribution of the electron charge density, also the optical functions: dielectric constant, refractive and absorption indices, reflection and absorption coefficients of Na2GeSe3 crystal have been calculated. According to the calculation results, Na2GeSe3 is a direct-gap crystal with the top of valence band and the bottom of conduction band at the point r of Brillouin zone. The calculated band gap is Egd = 1.7 eV LDA and Egd = 2.6 eV in the LDA+U approximations. Based on the data of total and partial densities of electronic states, contributions of atomic orbitals to the crystalline ones have been determined. Also, the data of chemical bond formation in the crystals under discussion have been obtained. [ABSTRACT FROM AUTHOR]
- Published
- 2022
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16. Charge transfer transitions in glasses - Attempt of a systematic review
- Author
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Doris Möncke and Doris Ehrt
- Subjects
Charge transfer transition ,Transition metal ions ,UV cutoff ,Absorption edge ,Photoluminescence ,Applied optics. Photonics ,TA1501-1820 ,Optics. Light ,QC350-467 - Abstract
In glasses, even low levels of dopants or impurities can give rise to very intense and broad charge transfer transitions from ligands (e.g. oxygen or fluorine ions) to the metal ion (L→M), absorbing strongly in the short wavelength ultraviolet. In an attempt of a systematic review of charge transfer transitions, we compile data of various glass systems with high intrinsic transmission that allow the observation of charge transfer (CT) transitions involving cations of different electronic configurations. Various glasses of different composition were selected as matrices, including fluoroaluminate glasses with low P2O5 content (FP10 = 35AlF3–10MgF2–30CaF2–15SrF2–10Sr(PO3)2), phosphate [SrP = Sr(PO3)2, NSP = Na2O-40SrO-50P2O5], silicate (NS = 15Na2O–85SiO2, DS = 33Na2O–67SiO2), aluminosilicate (BCAS = 10BaO–10CaO–15Al2O3–65SiO2) and borosilicate (NBS1 = 16Na2O–10B2O3–74SiO2, NBS2 = 4Na2O–1Al2O3–21B2O3–74SiO2, Duran = 5Na2O/K2O–1Al2O3–12B2O3–82SiO2) compositions. All glasses were prepared from very high purity materials and doped with various metal ions. Charge transfer transitions of electrons to or from these cations induce absorption and photoluminescence phenomena in the ultraviolet and visible spectral region, which were recorded by optical spectroscopy.Charge transfer transitions were considered for empty valence orbitals, that is, for the high valent 3d, 4d and 5d ions, and for Zn2+, Ag+, Cu+ with full d10 orbitals. 3d, 4d and 5d ions with partially filled valence orbitals that could be stabilized in the named glasses are studied as well. Doping concentrations for these allowed transitions typically ranged from 5 to 5000 wt-ppm of metal ions, with some samples also displaying higher dopant levels.Inter valence charge transfer (IVCT) transitions directly from one metal ion to a neighboring metal ion (M→M) of the same element or metal to metal charge transfer (MM-CT) between ions of different elements can also induce strong visible absorption and deep coloring for which some examples will be discussed.
- Published
- 2021
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17. Impact of CuO nanofiller on structural, optical and dielectric properties of CuO/DGEBA hybrid nanocomposites for optoelectronic devices.
- Author
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Jilani, Wissal, Jlali, Amel, and Guermazi, Hajer
- Subjects
- *
DIELECTRIC properties , *OPTICAL properties , *COPPER oxide , *ULTRASONIC waves , *NANOCOMPOSITE materials , *CURVE fitting - Abstract
In this work, Copper oxide nanofiller with different contents (0.05, 0.5, 1, and 2 wt% CuO) were embedded in DGEBA epoxy matrix using ultrasonic wave and casting processing technique. This study deals to assess and investigate the CuO fillers impact on various properties of CuO/DGEBA hybrid polymer nanocomposites (CuO/DGEBA-HPNCs). The structural modifications were tracked using X-ray diffraction (XRD) patterns and Fourier transform infrared spectra. XRD profiles demonstrated that the crystallinity of samples increases with an increase of CuO nanoparticles (CuO NPs) contents, which improved the crystallinity of CuO/DGEBA-HPNCs. The interplanar distance, particle size, and the average inter-crystalline separation were also calculated and investigated. Interactions between CuO NPs and DGEBA polymer matrix were reported using the correlated FTIR analysis and XRD results, which was related to the formation of new absorption bands for the 1 wt% and 2 wt% CuO NPs samples. The UV–Vis investigation showed that the absorption edge values exhibited a red-shift with the rise in CuO NPs, due to interactions between the doping and the DGEBA matrix owing to the formation of charge transfer. Furthermore, the dielectric characteristics such as dielectric permittivity (ɛ′, ɛ″), electrical modulus (M′, M″), and dielectric AC impedance (Z′, Z″) of the CuO/DGEBA-HPNCs were performed at room temperature as a function of CuO nanofiller contents and frequency. Experimental modulus data were successfully fitted to Havriliak–Negami model. AC impedance spectroscopy was carried out to disclose the CuO/DGEBA-HPNCs as a function of various CuO NPs fillers. The obtained dielectric parameters, using fitting curves, were altered by the CuO NPs filler concentration. The results showed the ability to use the samples in optoelectronic devices. [ABSTRACT FROM AUTHOR]
- Published
- 2021
- Full Text
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18. Tools and Electrochemical In Situ and On-Line Characterization Techniques for Nanomaterials
- Author
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Napporn, Têko W., Dubau, Laetitia, Morais, Claudia, Camilo, Mariana R., Durst, Julien, Lima, Fabio H. B., Maillard, Frédéric, Kokoh, K. Boniface, and Kumar, Challa S.S.R., editor
- Published
- 2018
- Full Text
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19. In Situ X-Ray Absorption Spectroscopy to Study Growth of Nanoparticles
- Author
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Nayak, Chandrani, Jha, S. N., Bhattacharyya, Dibyendu, and Kumar, Challa S.S.R., editor
- Published
- 2018
- Full Text
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20. Electronic structure, optical and photoelectrical properties of crystalline Si2Te3
- Author
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D.I. Bletskan
- Subjects
silicon sesquitelluride ,electronic structure ,electron-phonon interaction ,absorption edge ,photoconductivity ,Physics ,QC1-999 - Abstract
In the framework of the density functional theory (DFT) in the approximation of local density adjusted for the strong correlation (LDA+U method), calculated were the band structure, total and partial densities of electronic states, as well as the spatial distribution of the electron density. According to the results of the calculation, Si2Te3 is an indirect-gap semiconductor with the calculated band gap = 2.05 eV, close to the experimentally measured = 2.13 eV. The absorption edge and photoconductivity spectra of Si2Te3 crystal within the temperature range 80...293 K have been measured. It has been shown that the dependence of the absorption coefficient on the photon energy is described by the Urbach rule. The parameter σ0, associated with the constant of electron-phonon interaction, and the energy of effective phonons ħωph, involved in formation of the absorption edge of crystalline Si2Te3, were determined using the temperature dependence of the absorption edge slope. Deviation from the stoichiometric composition in the direction of excess tellurium significantly affects the spectral distribution of the photoconductivity of Si2Te3 crystals.
- Published
- 2019
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21. Investigation of the Optical Properties of GeO2-PbO-CaO-SrO Glass System in the Presence of Different Amounts of CaO and SrO
- Author
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A. Baradaran and M. Tavoosi
- Subjects
germanate glasses ,transmittance ,absorption edge ,thermal stability. ,Materials of engineering and construction. Mechanics of materials ,TA401-492 - Abstract
In the present study, the structural, optical and thermal behaviors of GeO2-PbO-CaO-SrO glasses were investigated to achieve the highest optical properties and thermal stability. Accordingly, different 50GeO2-(50-x)PbO-xCaO and 50GeO2-(50-x)PbO-xSrO (x=0, 10, 20) germanate glasses were prepared by the conventional melt and quench technique between two steel sheets. The produced samples were characterized using X-ray diffraction (XRD), differential thermal analysis (DTA), Fourier transform infrared (FTIR) and UV-Vis spectroscopy. Based on the obtained results, the addition of CaO to glass composition reduced the glass phase forming ability as well as optical and thermal behaviors of the prepared glasses. In contrast, the presence of SrO had no destructive effect on the optical properties of the prepared glasses; the highest values of glass transition (580 oC) and crystallization temperature (831 oC) were achieved in the sample containing 20 mole% of SrO.
- Published
- 2018
22. Effect of dopant concentration and crystalline structure on the absorption edge in ZnO:Y films.
- Author
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Turko B., Mostovoy U., Kovalenko M., Eliyashevskyi Y., Kulyk Y., Bovgyra O., Dzikovskyi V., Kostruba A., Vlokh R., Savaryn V., Stybel V., Tsizh B., and Majevska S.
- Subjects
- *
CRYSTAL structure , *ZINC oxide films , *ZINC oxide , *ABSORPTION , *MAGNETRON sputtering , *ABSORPTION spectra , *YTTRIUM compounds - Abstract
We study the crystalline structure and absorption spectra for the zinc oxide films with different levels of yttrium doping. The films are deposited on glass substrates, using radio-frequency magnetron sputtering. We estimate the concentration of free charge carriers and show that the 'blue' shift of the fundamental absorption edge in ZnO:Y films with increasing doping level (up to 4.7 wt. %) is explained by Burstein--Moss effect. At higher concentrations of yttrium, behaviour of the fundamental absorption edge is described by a known empirical Urbach rule. [ABSTRACT FROM AUTHOR]
- Published
- 2021
- Full Text
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23. Polyallyl diglycol carbonate (PADC) polymer as a UVC dosimeter: A new technique combining thermal and UVC treatments.
- Author
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Saad, A.F., Sedqy, E.M., and Ahmed, R.M.
- Subjects
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DOSIMETERS , *OPTICAL constants , *EXPOSURE dose , *ATTENUATION coefficients , *OPTICAL properties , *ULTRAVIOLET radiation , *OPTICAL conductivity - Abstract
• UVC and thermal annealing treatments combined for CR-39 were investigated. • The transmittance, optical constants and optical conductivity were studied. • UVC and thermal combined mode decrease the transmittance compared to the others. • The transmittance for UVC radiation does alter with the order of treatments. • Dosimetric uses of CR-39 have shown excellent potential for UVC dose estimation. The aim of this study was to investigate the use of a PADC polymer film in dosimetric applications for UV radiation. Optical properties and optical constants have been characterized by means of UV/Vis spectrophotometry. Two modes of combined treatment were applied: a sequence of UV and thermal annealing and vice versa, as well as a separated treatment involving UV exposure only. The final results proved to be highly dependent on the order of the combined treatments. The absorption edges, refractive indices, attenuation coefficients, and optical conductivities proved to be highly affected by increasing the exposure dose up to 4.458 kJ/cm2 in the second combined mode (post-UV annealing), but in the case of the other modes did not show such behavior. The dosimetric properties of this PADC polymer show excellent potential for a unique estimation of UV exposure doses over the range 0.446 to 4.458 kJ/cm2 by using the second mode. [ABSTRACT FROM AUTHOR]
- Published
- 2020
- Full Text
- View/download PDF
24. Numerical modelling of action on transparent semiconductors of short and ultrashort laser pulses with wavelength at the material absorption edge.
- Author
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Grigorev, A., Nikolaev, R., and Velchko, O.
- Abstract
The numerical model was developed of local heating a semiconductor material by laser pulses with wavelength at the area of the material intrinsic absorption edge. The mechanism of heating by nano- and picosecond pulses is based on the effect of thermal shifting the edge of the semiconductor absorption, while for femtosecond pulses the edge is shifted under acting the electric field of a light wave. The material heating by nano- and picosecond pulses can be of two types: spot-like and linear-like. In the case of femtosecond pulses the spot-like heating is realized. It was found that the local heating is accompanied by the material structure change, which corresponds to the character of heating. [ABSTRACT FROM AUTHOR]
- Published
- 2020
- Full Text
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25. Effect of anomalous behavior of Be-doping on structural stability, bandgap and optical properties in comparison with Mg-doped BaZrO3 perovskite: insights from DFT calculations.
- Author
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Zeba, I., Jabeen, R., Ahmad, Riaz, Shakil, M., Rafique, M., Rizwan, M., Bashir, N., and Gillani, S. S. A.
- Subjects
- *
BAND gaps , *BERYLLIUM , *OPTICAL properties , *DENSITY of states , *CONDUCTION bands , *PSEUDOPOTENTIAL method , *ELECTRONIC structure - Abstract
Effect of anomalous behavior of beryllium (Be) on structural stability, band gap engineering and optoelectronic properties in comparison with magnesium (Mg) doped BaZrO3 perovskite have been explored. All calculations have been performed, by constructing the supercell to overcome the boundary effects, with CASTEP code, established on DFT, by Perdew-Burke-Ernzerhof-Generalized-Gradient-Approximations (PBE-GGA) exchange correlation functional and USP (ultra-soft pseudo-potential). Various properties of the doped and pure compounds are probed such as the analysis of band structure, TDOS (total density of states), PDOS (partial density of states) and their effect on dielectric function. The substitution of Ba-atom with the Mg- and Be-atom change the lattice parameters and modify electronic structure of BaZrO3. In case of Mg and Be doping the value of band gap decreases from 3.119 to 2.844 eV and 0.886 eV. Due to doping of the Mg and Be doping valence band is shifted from R to G symmetry points whereas the conduction band is shifted from G to R symmetry points, with the emergence of new symmetry points, because of Mg- and Be-s-states and showing indirect band gap. From optical properties, a red shift in the absorption edge is noticed for both doped compounds. The static refractive index is also enhanced with Be-doping from of 2.2 to 2.32. The Be and Mg doping in BaZrO3 alters electronic and optical properties emphatically and models this doped material a very prospective contestant for optoelectronic devices. [ABSTRACT FROM AUTHOR]
- Published
- 2020
- Full Text
- View/download PDF
26. Cubic to pseudo-cubic tetragonal phase transformation with lithium and beryllium doping in CaTiO3 and its impact on electronic and optical properties: a DFT approach.
- Author
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Zeba, I, Bashir, N, Ahmad, Riaz, Shakil, M, Rizwan, M, Rafique, M, Rashid, Farzana, and Gillani, S S A
- Abstract
First-principles calculations, with CASTEP code, were employed to study the effect of lithium (Li) and beryllium (Be) doping on structural stability, phase transformation, electronic band structure and optical characteristics of CaTiO3. The substitution of Ca-atoms with the Li- and Be-atoms changes the lattice parameters and hence unit cell volume and consequently the electronic band structure of CaTiO3 is modified. With 12.5% Li- and Be-doping, we observed a structural phase transformation from cubic to pseudo-cubic tetragonal structure which is in good agreement with the literature. The impact of structural phase transformation on the electronic band structure has been explained with the help of total, partial and elemental partial density of states. In case of Li-doping, the value of band gap slightly increases from 1.866 to 1.964 eV while the band gap value decreases to 1.614 eV for Be-doping. In both cases of doping, maxima of valence band are shifted from R to Z symmetry point whereas the minima of conduction band remain at G symmetry point. In pure and doped cases, the nature of the band gap remains unaltered, i.e., indirect band gap. From optical response of the doped compounds, we perceive a red shift in the absorption. With Be- and Li-doping, the static refractive index also increased from 2.48 to 2.63 and 4.1, respectively. The change in electronic structure and optical characteristic with Li- and Be-doping would make this compound a suitable candidate for future optoelectronic devices. [ABSTRACT FROM AUTHOR]
- Published
- 2020
- Full Text
- View/download PDF
27. Skla systému PbO-ZnO-P2O5 s příměsí CuO a Cr2O3
- Author
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Schwarz, Jiří, Střižík, Lukáš, Slavík, Jan, Schwarz, Jiří, Střižík, Lukáš, and Slavík, Jan
- Abstract
Tématem této diplomové práce je studium vlivu příměsí oxidu chromitého a oxidu měďnatého na fosfátová skla o složení 55PbO-(10-x-y)ZnO-35P2O5-xCr2O3-yCuO. Za tímto účelem bylo připraveno 14 vzorků s různým obsahem Cr2O3 a CuO. V teoretické části je uvedena stručná charakteristika amorfních materiálů, typické vlastnosti skel se zaměřením na fosfátová skla a jejich souvislost s obsahem příměsí oxidů přechodných kovů. Syntéze studovaných vzorků, jejich přípravě a následné charakterizaci je věnována experimentální část této práce. Vzorky byly charakterizovány měřením jejich optické propustnosti a stejnosměrné elektrické vodivosti, dále byla využita metoda termomechanické analýzy, infračervené spektroskopie, rentgenové fluorescenční spektroskopie a rentgenové difrakční analýzy. V závěrečné části práce jsou diskutovány stanovené vlastnosti studovaných vzorků., The aim of this diploma thesis is the study of the influence of additives of chromium(III) oxide and copper(II) oxide on phosphate glasses with a composition of 55PbO-(10-x-y)ZnO-35P2O5-xCr2O3-yCuO. For this purpose, 14 samples with various contents of Cr2O3 and CuO were prepared. The theoretical part of this thesis provides a brief characterization of amorphous materials, typical properties of glasses with a focus on phosphate glasses and their relationship with the content of transition metal oxides. The experimental part of this thesis is dedicated to the synthesis of the studied samples, their preparation and subsequent characterization. The samples were characterized by measuring their optical transmittance and DC electrical conductivity. Additionally, thermomechanical analysis, infrared spectroscopy, X-ray fluorescence spectroscopy, and X-ray diffraction analysis were used. The determined properties of the studied samples are discussed in the final part of this thesis., Fakulta chemicko-technologická, Diplomant seznámil komisi se svojí diplomovou prací. Dále reagoval na připomínky oponenta. Zodpověděl otázky členů komise: Diskutujte přesnost měření hustoty u studovaných materiálů. Co vše jste měřil sám? Diskutujte redox děj při syntéze skla. S přídavkem mědi se posouvá krátkovlnná absorpční hrana do infračervené oblasti, diskutujte proč., Dokončená práce s úspěšnou obhajobou
- Published
- 2023
28. Photoluminescence emissions of Ca1−WO4:xEu3+: Bridging between experiment and DFT calculations
- Author
-
Marcelo Assis, Aline Estefany Brandão Lima, Eduardo O. Gomes, Juan Andrés, Elson Longo, Daniele de Souza, Eva Guillamón, Yara Gobato Galvão, Amanda F. Gouveia, Miguel A. San-Miguel, Lara Kelly Ribeiro, Ieda Lúcia Viana Rosa, and Geraldo E. Luz
- Subjects
rare earths ,Range (particle radiation) ,Potential well ,Photoluminescence ,Materials science ,Band gap ,Doping ,Analytical chemistry ,General Chemistry ,DFT calculations ,xEu3+ [Ca1−xWO4] ,Blueshift ,Absorption edge ,Geochemistry and Petrology ,photoluminescence emissions ,Density functional theory - Abstract
In this work, the impact of the doping process on the photoluminescence emission of CaWO4 as a function of the concentration of Eu3+ cation (0.01 mol%, 0.02 mol%, 0.04 mol%, 0.06 mol%, 0.08 mol%, and 0.10 mol%) is discussed in detail. Ca1−xWO4:xEu3+ samples were successfully synthesized by a simple co-precipitation method followed by microwave irradiation. The blue shift in the absorption edge confirmed the quantum confinement effect and the band gap energy cover the range from 3.91 to 4.18 eV, as the amount of Eu3+ cations increases. The experimental results are sustained by first-principles calculations, at the density functional theory level, to decipher the geometry and electronic properties, thereby enabling a more accurate and direct comparison between theory and experiment for the Ca1−xWO4:xEu3+ structure. Funding for open access charge: CRUE-Universitat Jaume I
- Published
- 2022
29. The Historical Development of X-ray Absorption Fine Spectroscopy and of Its Applications to Materials Science
- Author
-
Mottana, Annibale, Marcelli, Augusto, Ceccarelli, Marco, Series editor, and Pisano, Raffaele, editor
- Published
- 2015
- Full Text
- View/download PDF
30. Disorder impact on the optical absorption edge of the tetragonal cadmium diphosphide.
- Author
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Shportko, K. V. and Venger, E. F.
- Subjects
LIGHT absorption ,CADMIUM ,PERMITTIVITY ,OPTICAL properties ,OPTICAL constants ,PHOSPHIDES - Abstract
The influence of disorder at the dielectric constant, as well as at the position of absorption edge in CdP
2 has been investigated. The dielectric constant and position of optical absorption edge for the samples with a high concentration of cadmium and phosphorus vacancies as well as samples doped by zinc have been obtained. It was shown that the tailored optical properties can be achieved by variation of the structural disorder in studied samples of CdP2 . [ABSTRACT FROM AUTHOR]- Published
- 2019
- Full Text
- View/download PDF
31. Electronic structure, optical and photoelectrical properties of crystalline Si2Te3.
- Author
-
Bletskan, D. I., Vakulchak, V. V., and Studenyak, I. P.
- Subjects
- *
PHOTOELECTRIC effect , *ELECTRONIC structure , *ELECTRON-phonon interactions , *OPTICAL properties , *ELECTRON distribution , *ABSORPTION coefficients , *DENSITY functional theory , *ELECTRON density - Abstract
In the framework of the density functional theory (DFT) in the approximation of local density adjusted for the strong correlation (LDA+U method), calculated were the band structure, total and partial densities of electronic states, as well as the spatial distribution of the electron density. According to the results of the calculation, Si2Te3 is an indirect-gap semiconductor with the calculated band gap Ecalcgi = 2.05 eV, close to the experimentally measured Eoptg = 2.13 eV. The absorption edge and photoconductivity spectra of Si2Te3 crystal within the temperature range 80...293 K have been measured. It has been shown that the dependence of the absorption coefficient on the photon energy is described by the Urbach rule. The parameter σ0, associated with the constant of electron-phonon interaction, and the energy of effective phonons ħωph, involved in formation of the absorption edge of crystalline Si2Te3, were determined using the temperature dependence of the absorption edge slope. Deviation from the stoichiometric composition in the direction of excess tellurium significantly affects the spectral distribution of the photoconductivity of Si2Te3 crystals. [ABSTRACT FROM AUTHOR]
- Published
- 2019
- Full Text
- View/download PDF
32. Electronic structure, optical and photoelectrical properties of crystalline Si2Te3.
- Author
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Bletskan, D. I., Vakulchak, V. V., and Studenyak, I. P.
- Subjects
PHOTOELECTRIC effect ,ELECTRONIC structure ,ELECTRON-phonon interactions ,OPTICAL properties ,ELECTRON distribution ,ABSORPTION coefficients ,DENSITY functional theory ,ELECTRON density - Abstract
In the framework of the density functional theory (DFT) in the approximation of local density adjusted for the strong correlation (LDA+U method), calculated were the band structure, total and partial densities of electronic states, as well as the spatial distribution of the electron density. According to the results of the calculation, Si
2 Te3 is an indirect-gap semiconductor with the calculated band gap Ecalc gi = 2.05 eV, close to the experimentally measured Eopt g = 2.13 eV. The absorption edge and photoconductivity spectra of Si2 Te3 crystal within the temperature range 80...293 K have been measured. It has been shown that the dependence of the absorption coefficient on the photon energy is described by the Urbach rule. The parameter σ0, associated with the constant of electron-phonon interaction, and the energy of effective phonons ħωph, involved in formation of the absorption edge of crystalline Si2 Te3 , were determined using the temperature dependence of the absorption edge slope. Deviation from the stoichiometric composition in the direction of excess tellurium significantly affects the spectral distribution of the photoconductivity of Si2 Te3 crystals. [ABSTRACT FROM AUTHOR]- Published
- 2019
- Full Text
- View/download PDF
33. Ferroelastic phase transition in Cu6PS5Br1-xClx mixed crystals.
- Author
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Luchynets, M. M., Studenyak, V. I., Izai, V. Yu., Minets, Yu. V., Studenyak, I. P., and Kežionis, A.
- Subjects
- *
COPPER chlorides , *PHASE transitions , *TRANSITION temperature , *OPTICAL polarization , *CRYSTALS , *OPTICAL measurements - Abstract
Cu6PS5Br1-xClx mixed crystals were grown by chemical vapour transport. Optical absorption edge and optical polarization measurements were performed in the temperature range 77–320 K. The influence of anionic Br→Cl substitution on the phase transitions in Cu6PS5Br1-xClx mixed crystals is studied. Compositional dependence of the ferroelastic phase transition temperature for Cu6PS5Br1-xClx mixed crystals is obtained. The variation of optical parameters at ferroelastic phase transition is analyzed. [ABSTRACT FROM AUTHOR]
- Published
- 2019
- Full Text
- View/download PDF
34. Monolithic Waveguide-Based Linear Photodetector Array for Use as Ultracompact Spectrometer.
- Author
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Grundmann, Marius
- Subjects
- *
PHOTODETECTORS , *SPECTROMETERS , *CHARGE carriers , *WAVEGUIDES , *OPTICAL waveguides , *PROOF of concept - Abstract
We propose a monolithic spectral waveguide photodetector (SWGPD) concept based on a waveguide with a chemical gradient of the semiconductor alloy forming the absorbing medium that allows for spectrally resolved detection. The chemical gradient correlates the absorption of different wavelengths with the position on the waveguide. The generated charge carriers are collected by a linear array of photodetectors along the waveguide. As model system and proof of concept (Mg,Zn)O alloys in the wurtzite phase (Zn-rich) are considered that allow photon detection in the near ultraviolet spectral region. Our concept allows for high overall detection of (in principle) all photons coupled into the waveguide. The spectral range and resolution are determined by the chemical gradient, the spectral broadening of the absorption edges, and the optical confinement factor. At the same time, the photodetectors can provide high-time resolution, limited by the photodetector geometry. [ABSTRACT FROM AUTHOR]
- Published
- 2019
- Full Text
- View/download PDF
35. Influence of various parameters and phenomena on the absorption edge of InAs/GaSb superlattices.
- Author
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Machowska-Podsiadlo, E. and Bugajski, M.
- Subjects
- *
ABSORPTION , *SUPERLATTICES , *STRAINS & stresses (Mechanics) , *STRENGTH of materials , *STRUCTURAL analysis (Science) - Abstract
Abstract In the work we have considered the influence of various parameters and phenomena on the absorption edge of InAs/GaSb superlattices. Calculations have been performed with the use of the 8-band k ⋅ p method. Results of the analysis have allowed us to form an opinion how big is the impact of temperature, band offset energy, strain and different types of interfaces on the absorption edge of the investigated structures. Such comparison hasn't been done, yet, especially since our outcomes relate not only to the selected, individual superlattices, but present the issue more comprehensively, regarding two series of periodic structures, derived from the (InAs) 8ML /(GaSb) 8ML one. Conclusions, which come from this work are useful particularly in terms of difficulties in adopting proper values of the material parameters for the numerical model of InAs/GaSb superlattice. Results presented in this article will be helpful while designing the more sophisticated periodic structures based on InAs/GaSb material system. Highlights • Impact of some parameters and phenomena on absorption edge of InAs/GaSb SLs was studied. • Calculations were done for m/8 ML and 8/n ML SLs with the use of 8-band k·p method. • Influence of temperature, band offset energy, strain and type of IFs in SLs was mooted. • Findings help to choose proper parameters for the numerical model of InAs/GaSb SL. • Results will be useful while designing other structures based on InAs/GaSb system. [ABSTRACT FROM AUTHOR]
- Published
- 2019
- Full Text
- View/download PDF
36. Enhanced visible light photoactivity of TiO2/SnO2 films by tridoping with Y/F/Ag ions
- Author
-
Fang Li, Mingming Yao, Li-zhu Zhao, and Guobao Li
- Subjects
Anatase ,Materials science ,Diffuse reflectance infrared fourier transform ,Analytical chemistry ,02 engineering and technology ,General Chemistry ,010402 general chemistry ,021001 nanoscience & nanotechnology ,01 natural sciences ,Nanocrystalline material ,0104 chemical sciences ,Absorption edge ,X-ray photoelectron spectroscopy ,Geochemistry and Petrology ,Transmission electron microscopy ,Photocatalysis ,0210 nano-technology ,Visible spectrum - Abstract
The Y, F, and Ag tridoped TiO2/SnO2 composite nanocrystalline film (YFAg–TS) with prominent photocatalytic performance was prepared by the modified sol–gel method and was characterized by utilizing X-ray diffraction (XRD), differential thermal and thermogravimetric (DTA–TG) analysis, scanning tunneling microscopy (SEM), transmission electron microscopy (TEM), X-ray photoelectron spectroscopy (XPS), Brunauer–Emmett–Teller (BET) method, ultraviolet–visible diffuse reflectance spectroscopy (UV–vis DRS), and photoluminescence (PL). The XRD and DTA–TG results expose that the YFAg–TS catalyst is a mixed phase consisting of anatase, rutile, and chlorargyrite, which is beneficial to improving the photocatalytic performance of TiO2. The SEM, TEM, and BET results disclose that the YFAg–TS film has smaller nanoparticles, higher surface area, and narrower pore size compared with pure TiO2 film. The XRD and TEM results exhibit that a part of yttrium can enter the TiO2 lattice to induce lattice distortion. The XPS results confirm the presence of Y3+ state in the YFAg–TS sample, and Y3+ ions can act as the trapping site of electrons to expedite the separation of electrons and holes. The UV–vis DRS results reveal that the YFAg–TS film has an obvious absorption edge shift and a narrower bandgap (2.70 eV) compared with pure TiO2 film. The PL results show that the YFAg–TS film has the highest photogenerated electrons and holes separation efficiency and charges transfer efficiency among all samples. The photocatalytic activity of the YFAg–TS is assessed by monitoring the degradation of methyl green and formaldehyde solution. The results manifest that the YFAg–TS film has high stability and excellent photocatalytic performance. The possible synergistic photocatalytic mechanism of YFAg–TS films has been discussed in this paper.
- Published
- 2022
37. Recent advances in non-metal doped titania for solar-driven photocatalytic/photoelectrochemical water-splitting
- Author
-
Stéphane Siffert, Tarek Barakat, Bao-Lian Su, Yingying Wang, Jing Liu, Yan-Xin Chen, and Yu-Jia Zeng
- Subjects
Titania ,Materials science ,Dopant ,business.industry ,Doping ,Energy Engineering and Power Technology ,Non-metal doping ,Fuel Technology ,Absorption edge ,Electrochemistry ,Photocatalysis ,Water splitting ,Optoelectronics ,Chemical stability ,Charge carrier ,Visible light photocatalysis ,business ,Photocatalytic/Photoelectrochemical water splitting ,Energy (miscellaneous) ,Visible spectrum - Abstract
Photocatalytic (PC) / Photoelectrochemical (PEC) water splitting under solar light irradiation is considered as a prospective technique to support the sustainable and renewable H2 economy and to reach the ultime goal of carbon neutral. TiO2 based photocatalysts with high chemical stability and excellent photocatalytic properties have great potential for solar-to-H2 conversion. To conquer the challenges of the large band-gap and rapid recombination of photo generated electron-holepairs in TiO2, non-metal doping turns out to be economic, facile, and effective on boosting the visible light activity. The localized defect states such as oxygen vacancy and Ti3+ generated by non-metal doping are located in the band-gap of TiO2, which result in the reduction of band-gap, thus a red-shift of the absorption edge. The hetero doping atoms such as B3+, I7+, S4+/S6+, P5+ can also act as electron donors or trap sites which facilitate the charge carrier separation and suppress the recombination of electron-hole pairs. In this comprehensive review, we present the most recent advances on non-metal doped TiO2 photocatalysts in terms of fundamental aspects, origin of visible light activity and the PC / PEC behaviours for water splitting. In particular, the characteristics of different non-metal elements (N, C, B, S, P, Halogens) as dopants are discussed in details focusing on the synthesis approaches, characterization as well as the efficiency of PC and PEC water splitting. The present review aims at guiding the readers who want quick access to helpful information about how to efficiently improve the performance of photocatalysts by simple doping strategies and could stimulate new intuitive into the new doping strategies.
- Published
- 2022
38. Annealing Induced Red Shift in the Absorption Edge of TiO2 Films Prepared by Sol-gel Technique.
- Author
-
Misra, Kamakhya Prakash, Chattopadhyay, Saikat, Dey, Deepal, Bhatt, Prarbdh, and Halder, Nilanjan
- Subjects
REDSHIFT ,SOL-gel processes ,TITANIUM dioxide ,ELEMENTAL analysis ,ABSORPTION ,ANNEALING of metals - Abstract
We report the formation of sol-gel spin coated TiO
2 films on corning glass substrates. The XRD spectra revealed the predominance of anatase phase in the films with annealing temperature from 250 to 450 °C. The FE-SEM studies showed dense distribution of nanocrystallites in the deposited films. Elemental analysis by EDAX measurement also confirmed the formation of TiO2 films. Most interestingly, annealing at 250 to 450 °C for 1 h in air produced a red shift in the absorption edge from 353 to 374 nm. This red shift was attributed to annealing-induced reduction in carrier confinement linked to enhancement in nanocrystallite sizes in the annealed films. [ABSTRACT FROM AUTHOR]- Published
- 2021
- Full Text
- View/download PDF
39. USE OF INCOHERENT SCATTERING FOR MATRIX EFFECTS CORRECTION IN X-RAY FLUORESCENCE MEASUREMENTS OF Ti, Mn, Fe AND U CONCENTRATIONS IN URANIUM ORES
- Author
-
D. V. Kutnii, A. V. Medvediev, and S. A. Vanzha
- Subjects
X-ray fluorescence ,uranium ore ,matrix effects ,incoherent scattering ,absorption edge ,Physics ,QC1-999 - Abstract
The work presents the results of method development for matrix effects correction in X-ray fluorescence measurements of Ti, Mn, Fe and U concentrations in the silicate-type uranium ore samples using wavelength dispersive XRF spectrometer S 8 Tiger (Bruker AXS GmbH, Germany). Comparison of the results obtained using standard software package Spectra Plus of the spectrometer and normalized to intensity of characteristic line of primary radiation, incoherently scattered by sample, was carried out. It is shown that for the investigated elements during X-ray fluorescent measurements of their concentrations, in addition to intensity normalization, it is necessary to use additional analytical correction. The use of this method to calculate the corrected concentrations of TiO2, MnO, Fe2O3 and U3O8 allows to decrease the relative error of measurements up to < 5 % within the range of concentrations 0.1…4 mas. % and up to ≤ 7.5 % within the range of concentrations 0.04…0.06 mas. %.
- Published
- 2016
40. A STUDY OF OPTICAL PROPERTIES OF PHOSPHATE AND TELLURITE SEMICONDUCTING OXIDE GLASSES
- Author
-
Manaf Abd Hassan and Ali M. Mohammed Ali
- Subjects
optical properties ,oxide glasses ,absorption edge ,Science - Abstract
Glass samples in the system of (P2O5)75-(CuO)25-x-(CdO)x/(P2O5)75-(CuO)25-x-(ZnO)x/(P2O5)75-(CuO)25-x-(V2O5)x/(P2O5)50-(TeO2)50-x-(CdO)x/(P2O5)50-(TeO2)50-x-(ZnO)x and (P2O5)50-(TeO2)50-x-(V2O5)x glasses of different compositions where (x = 0, 5, 10, 15,20) were prepared by the melt-quenching technique. Optical absorption spectra of different compositions were recorded in the visible and UV regions and optical parameters such as optical energy gap (Eopt) and band tails (Eo) were determined by Urbach formula, the measurements for phosphate glasses of optical energy gap (Eopt) (P2O5)75-(CuO)25-x-(CdO)x have been determined and founded between (3.75-4.185) eV, (P2O5)75-(CuO)25-x-(ZnO)x the value of optical energy gap is between (3.75-4.25)eV, (P2O5)75-(CuO)25-x-(V2O5)x the (Eopt) is between (3.75-4.2)eV. for tellurite glasses the measurements of optical energy gap (Eopt) of (P2O5)50-(TeO2)50-x-(CdO)x have been determined and founded between (3.825-4.25)eV, (P2O5)50-(TeO2)50-x-(ZnO)x the (Eopt) is between (4.035-4.2)eV, (P2O5)50-(TeO2)50-x-(V2O5)x the value of optical energy gap is between (3.875-4.335)eV, It was found that the fundamental absorption of these glasses is dependent upon compositions and arises from forbidden indirect transitions. The most satisfactory results were obtained with the theory Davis and Mott for forbidden indirect transitions
- Published
- 2016
- Full Text
- View/download PDF
41. Microwave awakening the n-π* electronic transition in highly crystalline polymeric carbon nitride nanosheets for photocatalytic hydrogen generation
- Author
-
Haiwei Du, Daochuan Jiang, Zhiwu Yu, Hong Bi, Peng Zhang, Yupeng Yuan, and Xiangang Lin
- Subjects
Materials science ,Hydrogen ,Thermal decomposition ,Energy Engineering and Power Technology ,chemistry.chemical_element ,Photochemistry ,Molecular electronic transition ,chemistry.chemical_compound ,Fuel Technology ,chemistry ,Absorption edge ,Electrochemistry ,Photocatalysis ,Carbon nitride ,Energy (miscellaneous) ,Visible spectrum ,Hydrogen production - Abstract
The n-π* electronic transition in polymeric carbon nitride (PCN) can remarkably harvest visible light, which thus potentially promotes the photocatalytic hydrogen H2 generation. However, awaking the n-π* electronic transition has proven to be a grand challenge. Herein, we reported on the awakening of n-π* electronic transition by microwave thermolysis of urea pellet, which yielded the PCN with absorption edge of 600 nm, near 140 nm red-shift from 460 nm of pristine PCN. The n-π* electronic transition endows PCN with an increased photocatalytic H2 generation, with a highest H2 rate of 61.7 μmol h−1 under visible light exposure, which is near 6 times higher than that by using the PCN from the thermolysis of urea pellets in an electric furnace (10.6 μmol h−1). Furthermore, the n-π* transition in PCN leads to the longest wavelength of 535 nm that can initiate H2 generation, remarkably longer than the absorption edge of pristine PCN (460 nm). This work manifests the advantages of microwave sintering route to awaken the n-π* electronic transition in PCN for an increased photocatalytic performance.
- Published
- 2022
42. A remarkable effect of substrate temperature on novel Al/Y2O3/n-Si heterojunction diodes performance fabricated by facile jet nebulizer spray pyrolysis for optoelectronic applications
- Author
-
Hamid M. Ghaithan, Mohd. Shkir, Muhammad Ali Shar, S. AlFaify, Ahmed Mohamed El-Toni, Tien Dai Nguyen, Aslam Khan, Vasudeva Reddy Minnam Reddy, Anees A. Ansari, and Thamraa Alshahrani
- Subjects
Field emission microscopy ,Scanning probe microscopy ,Materials science ,Photoluminescence ,Absorption edge ,business.industry ,Band gap ,General Physics and Astronomy ,Optoelectronics ,Substrate (electronics) ,business ,Powder diffraction ,Diode - Abstract
Herein, we present the development and characterization of Yttrium oxide (Y2O3) films and Al/Y2O3/n-Si heterojunction diodes at various substrate temperatures using a low-cost facile jet nebulizer spray pyrolysis (JNSP) technique. The X-ray powder diffraction (XRD) pattern proved polycrystalline films of Y2O3 with a cubic structure. Field emission scanning electron microscope (FESEM) images reveal very fine nanograins formation in Y2O3 films at all temperatures. Scanning probe microscopy (SPM) analysis shows very low roughness of all films. The detailed compositional/homogeneity analysis was done via energy dispersive X-ray (EDX)/e-mapping analysis. All the films exhibited a sharp absorption edge at ∼ 280 nm, and the estimated energy gap values were noticed between 4.5 to 5.5 eV. Moreover, the observed photoluminescence (PL) spectrum indicated that the intensity of emission peaks quenched ∼ 3 times, indicating the reduction of defects with substrate temperature. From the current – voltage (I-V) characteristic, the calculated ideality factor (n) value was noticed to be drastically reduced from 7.66 and 2.87 on increasing the substrate temperature. Further, the diode ideality factor, series resistance (Rs) and barrier height (ФB) were obtained from Cheung's method. The results revealed that the developed Al/Y2O3/n-Si heterojunction diode is a promising contender for optoelectronic devices.
- Published
- 2022
43. Third order measurements, thermal and mechanical stress tolerance studies of a nonlinear borate family hybrid crystal towards optoelectronic applications
- Author
-
G.B. Anushya, A. Joseph Arul Pragasam, G. Vinitha, Perumal Malliga, and M. Divya
- Subjects
Crystal ,Materials science ,Absorption edge ,business.industry ,Band gap ,Crystal system ,Transmittance ,Physics::Optics ,Optoelectronics ,Crystal structure ,Z-scan technique ,business ,Single crystal - Abstract
Highly transparent nonlinear Thiourea cadmium hydrogen borate (TCHB) single crystal grown by slow evaporation method is investigated for optoelectronic applications. Single crystal XRD provides details about the lattice structure. FTIR vibrational spectroscopic study identifies the functionals that make up the crystal system. Elemental composition is determined from the EDAX spectrum. UV spectral analysis is performed to determine the transparency range, absorption edge limit, and band gap value at which the crystal can be run. The linear behavior of TCHB is analysed by studying the optical constants from the transmittance values. TG/DTA analysis is done to find out the thermal stability. Vickers microhardness test classifies TCHB as a soft material and elasticity, brittleness and other mechanical properties are assessed from the hardness value. Second harmonic optical study affirms frequency doubling of Nd:YAG laser. Third order measurements, such as, nonlinear absorption co-efficient (β), nonlinear refraction (n2) and third order susceptibility (χ3) are calculated by the Z scan technique.
- Published
- 2022
44. Optical properties of Ni metal nanoparticles embedded poly (vinyl alcohol) films
- Author
-
M. Banerjee, Swati Nagar, and G.S. Mukherjee
- Subjects
chemistry.chemical_compound ,Vinyl alcohol ,Nanocomposite ,Materials science ,Absorption edge ,chemistry ,Chemical engineering ,Band gap ,Direct and indirect band gaps ,Polyvinyl alcohol ,Refractive index ,Optical conductivity - Abstract
This paper reports the effect of Ni layer thickness on the optical properties of the PVA/Ni nanocomposite films prepared by embedding Ni nanoparticles into the PVA (polyvinyl alcohol) film matrix using ion beam sputtering technique. UV–Vis-NIR spectra have been used to determine the optical parameters like absorption bands, absorption edge, transmission, bandgap, refractive index (RI), extinction coefficient and optical conductivity. As observed, all the above optical parameters were found to have changed remarkably on incorporation of Ni nanoparticles in the PVA film; for example, indirect band gap reduced from 5.01 to 4.38 eV, and RI increased from 1.21 to 10.04.
- Published
- 2022
45. Facile synthesis of bismuth(III) based metal-organic framework with difference ligands using microwave irradiation method
- Author
-
Vinh Huu Nguyen, Van-Huy Nguyen, Trinh Duy Nguyen, Taeyoon Lee, and Ai Le Hoang Pham
- Subjects
chemistry.chemical_compound ,chemistry ,Absorption edge ,General Chemical Engineering ,Specific surface area ,Rhodamine B ,Photocatalysis ,Metal-organic framework ,General Chemistry ,Photodegradation ,Photochemistry ,Absorption (electromagnetic radiation) ,Visible spectrum - Abstract
In this study, we studied the effect of starting ligands such as 1,4-benzenetdicarboxylic (H2BDC), 1,3,5-benzenetricarboxylic (H3BTC), and 4,4′,4″-s-triazine-2,4,6-triyl-tribenzoic (H3TATB) acids on the photocatalytic activity of three bismuth-based MOFs (Bi-MOF) obtained via a microwave-assisted solvothermal process. Different shapes and sizes of ligands displayed different structure properties from the corresponding Bi-MOF. Specifically, Bi-MOF composed of Bi3+ and H3TATB (Bi-TATB) exhibits the largest specific surface area of 355 m2/g, highest surface-oxygen vacancy amount, a more vigorous light absorption intensity with a broader range of visible light absorption and red-shifted absorption edge than that of Bi-MOF composed of Bi3+ and H2BDC (Bi-BDC) and Bi-MOF composed of Bi3+ and H3BTC (Bi-BTC), suggesting the extension in the photocatalytic activity for Bi-TATB. The reason is attributed to the difference in their structural features. Compared with H2BDC and H3BTC ligands in Bi-BDC and Bi-BTC, H3TATB ligands in the structure of Bi-TATB contained more delocalized π electrons. This outcome may facilitate the ligand-to-metal charge transfer (LMCT) and decrease the electronic bandgap of the Bi-TATB, thus contributing to the enhanced photocatalytic rate. The enhanced photocatalytic activity of Bi-TATB was further confirmed by the photodegradation of rhodamine B (RhB) under LED light irradiation, which is 99.1% of RhB removal after 180 min of light irradiation. The as-synthesized Bi-TATB showed promising photocatalytic activity for the degradation of organic dye with an excellent recyclable catalytic efficiency. With the above understanding, Bi-MOF was finally used for the photocatalytic O2 evolution from water under LED light irradiation. The Bi-TATB had a maximum photocatalytic O2 evolution rate of 691 μmol h−1. To the best of the author’s knowledge, there has been no research on both the photocatalytic degradation of organic model dye pollutants and photocatalytic O2 evolution studies using Bi-MOFs with different organic linkers. The results should open an alternative approach of ligand selection that could increase the applicability of Bi-MOF in the field of catalysis.
- Published
- 2022
46. Physicochemical and magnetic properties of pure and Fe doped TiO2 nanoparticles synthesized by sol-gel method
- Author
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S. Cynthia and Suresh Sagadevan
- Subjects
010302 applied physics ,Materials science ,Scanning electron microscope ,Doping ,Analytical chemistry ,Nanoparticle ,02 engineering and technology ,021001 nanoscience & nanotechnology ,01 natural sciences ,Absorption edge ,Rutile ,0103 physical sciences ,Fourier transform infrared spectroscopy ,0210 nano-technology ,Spectroscopy ,Sol-gel - Abstract
Pure and iron-doped TiO2 nanoparticles (NPs) for different moles were synthesized by the sol–gel method. The synthesized products were characterized by sophisticated instrumental techniques such as powder X-ray diffraction (XRD), Scanning Electron Microscope (SEM), ultraviolet–visible spectroscopy (UV–Vis) and vibrational sample magnetometer (VSM). XRD pattern confirmed the Rutile structure of Pure TiO2 and Fe doped TiO2 NPs. The doping of Fe into TiO2 proved a great decrease in the size of nanoparticles as compared to undoped TiO2. The various functional groups were identified using FTIR analysis. The surface morphology of pure and Fe doped TiO2 nanoparticles were revealed by scanning electron microscopic analysis. The SEM micrographs revealed flakes like structure of pure and Fe doped TiO2 NPs. UV–Vis Spectrometer showed a sharp absorption edge for pure TiO2 in the ultraviolet region at a wavelength of about 375 nm and the absorption edge for Fe doped TiO2 NPs at a wavelength of about 339 nm. Vibrating Sample Magnetometer (VSM) revealed the ferromagnetic property. The value of magnetic moment showed an increase due to the suitable moles of Fe in TiO2 NPs.
- Published
- 2022
47. Hydrothermally Derived Layered 2D SnS Nanosheets for Near Infra-Red (NIR) Photodetectors
- Author
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M. Navaneethan, E. Vinoth, S. Harish, and J. Archana
- Subjects
Photocurrent ,Materials science ,Band gap ,business.industry ,Scanning electron microscope ,Photodetector ,Biasing ,Photodetection ,Atomic and Molecular Physics, and Optics ,Electronic, Optical and Magnetic Materials ,Absorption edge ,Optoelectronics ,Quantum efficiency ,Electrical and Electronic Engineering ,business - Abstract
We report a facile and low-cost deposition of Tin sulfide (SnS) nanosheets and its performance for Near Infra-red (NIR) Photodetection under the UV to NIR illumination. Orthorhombic phase of SnS has been observed in the phase identification analysis. The optical absorption edge was observed at 1030 nm, and the band gap was found to be 1.2 eV. Nanosheets morphology along with flakes identified from the scanning electron micrograph analysis. Photoresponse measurement was studied under dark and illumination with a constant bias voltage of 1.5 V and the enhanced photocurrent is observed. The higher spectral responsivity of 0.19 A/W at 1030 nm has been observed in spectral response curve recorded from 300 nm to 1100 nm. The cyclic photoresponse of the SnS photodetectors shows good cyclability with illumination turn on and off alternatively with the time interval of 20 s. The response time (Tr) and recovery time (Tτ) were found to be 2 s and 4 s, respectively. The detectivity Dt of the SnS nanosheets photodetector to be 9.213×1011 Jones. The wavelength-dependent photodetection shows the maximum response at 1030 nm and the higher photosensitivity. Finally, the external quantum efficiency of the fabricated NIR photodetector was found to be 27%.
- Published
- 2021
48. Development of Sn2+-based oxyfluoride photocatalyst with visible light response of ca. 650 nm via strengthened hybridization of Sn 5s and O 2p orbitals
- Author
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Yanpei Luo, Fuxiang Zhang, Xin Zhou, Can Li, Jiangwei Zhang, Yu Qi, and Zheng Li
- Subjects
Materials science ,business.industry ,Pyrochlore ,Energy Engineering and Power Technology ,engineering.material ,Photochemistry ,Spectral line ,Fuel Technology ,Semiconductor ,Absorption edge ,Electrochemistry ,engineering ,Photocatalysis ,Density functional theory ,business ,Absorption (electromagnetic radiation) ,Energy (miscellaneous) ,Visible spectrum - Abstract
The hybridization between the outmost s orbitals of metal (Bi3+, Sn2+, Pb2+, Ag+) and O 2p orbitals has been widely employed to develop innovative semiconductors with upshift valence band as well as extended visible light response, but it is still challenging to obtain photocatalyst with absorption edge of above 550 nm. Here we report a novel Sn2+-based oxyfluoride Sn2TiNbO6F (STNOF) photocatalyst with a pyrochlore structure to exhibit an extended absorption edge to 650 nm and dual functionalities of both water reduction and oxidation. Density functional theory calculations suggest that the unprecedented broad-spectrum response of STNOF is mainly ascribed to the strengthened hybridization between O 2p and Sn 5s orbitals remarkably upshifting the valence band, which is caused by the distortion and compressive strain in the SnO6F2 dodecahedron with second-order Jahn-Teller effect due to partial fluorine substitution. The structural distortion and compressive strain are experimentally confirmed by the Fourier-transformed extended X-ray absorption fine spectra. As probe tests of the photocatalytic functionalities, water reduction and oxidation half reactions were examined to see obvious H2 and O2 evolution under visible light irradiation. This work may provide an alternative strategy of developing extended visible light responsive semiconductors for promising solar energy conversion.
- Published
- 2021
49. Anomalous small-angle X-ray scattering for materials chemistry
- Author
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Yugang Sun
- Subjects
In situ ,Solid-state chemistry ,Absorption edge ,Chemical physics ,Small-angle X-ray scattering ,Scattering ,General Chemistry ,Characterization (materials science) - Abstract
Over the past decade, the development of in situ characterization techniques has become necessary to understand the structure–property relationships of functional materials. In situ small-angle X-ray scattering (SAXS) represents one of the techniques for studying the evolution kinetics of materials structures, but the SAXS signals lack chemical information on the materials. Anomalous SAXS (ASAXS) measured at different energies near the X-ray absorption edge of an interesting element allows the deconvolution of element-specific SAXS profiles, enabling the promise of simultaneously revealing the evolution kinetics of both the structures and the chemistry of composite materials under operando conditions. Typical composite materials studied by ASAXS are overviewed to shed light on the potential of in situ ASAXS in materials chemistry research.
- Published
- 2021
50. Characterization of As-prepared PVA-PEO/ZnO-Al2O3-NPs hybrid nanocomposite thin films
- Author
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Qais M. Al-Bataineh, Mais H. Khazaleh, Ahmad A. Ahmad, Ahmad Telfah, and Ahmad Alsaad
- Subjects
Materials science ,Nanocomposite ,Polymers and Plastics ,Band gap ,technology, industry, and agriculture ,Analytical chemistry ,General Chemistry ,Condensed Matter Physics ,Absorption edge ,Materials Chemistry ,Transmittance ,Crystallite ,Thin film ,Fourier transform infrared spectroscopy ,Refractive index - Abstract
Synthesis, optical, mechanical, and structural characterization of organic–inorganic nanocomposite thin films based on polyethylene oxide and poly(vinyl alcohol) (PVA) polymers incorporated with (1:0), (0.75:0.25), (0.5:0.5), (0.25:0.75), and (0:1) content percentage ratios of ZnO-NPs: Al2O3-NPs nanoparticles are reported. The optical properties, including the absorption coefficient, refractive index, extinction coefficient, dielectric function, and optical band gap for the films, are investigated from the measured transmittance and reflectance using a newly derived mathematical model. The as-grown PVA-PEO polymeric thin films exhibit transmittance of 87% while it decreases down to 75% with ZnO-NPs and decreases in between by the addition of Al2O3-NPs. However, the refractive index increases from 2.0 with ZnO-NPs to 2.7 with Al2O3-NPs. The band gap energy is from 3.98 to 3.89 eV accordingly. The dislocation density $$,$$ crystallite size, and average internal strain obtained from the X-ray diffraction patterns exhibit abnormal behavior for equal ratio (0.5:0.5) of the two types of NPs compared with other ratios. Fourier transform infrared (FTIR) spectroscopy measurements to elucidate the major vibrational modes and bonding in the nanocomposite thin films. A redshift of the major peaks has been observed for all investigated compositional ratios indicating a shift of the absorption edge confirming the band gap reduction. The SEM micrographs show a clear form of nanocomposites with PVA-PEO/ZnO-NPs compared to those when Al2O3-NPs or a combination of the two kinds of NPs are introduced to the complex matrix. Our detailed analysis of the physical properties of PVA-PEO/ZnO-Al2O3 indicates their potential to be candidate materials for modern optical and optoelectronic devices.
- Published
- 2021
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