Optical Properties Of SnO Research Articles

Density Functional Theory (DFT) Based Local Density Approximation (LDA) Study on Tailoring Electronic and Optical Properties of SnO and In-Doped SnO

The ambipolar nature of SnO has significantly increased its potential for using in p-n junction devices, for which it has drawn the attention of the scientific community. In this paper, the structural, electronic, and optical properties of SnO and the impact of Indium (In) doping into SnO are computed by Local Density Approximation (LDA) under the density function theory (DFT) framework. The calculated bond length of SnO in SnO is 2.285 Å, and that deviates  3% from the experimental value. The SnO and InO bond lengths in In-doped SnO are calculated to be 2.3094 and 2.266 Å, respectively. Interestingly, The band gap of pure SnO is calculated to be 2.61 eV, whereas it is significantly dropped down to 2.00 eV in the case of In doped SnO. The Total Density of State (DOS), Partial DOS, and electron density are depicted for SnO and In-doped SnO. As a consequence of In-doping static value of the refractive index and the real part of the dielectric function for SnO decrease from 1.9 to 1.4 and 3.6 to 1.97, respectively. Therefore, In-doping enhances the properties of the SnO film, which may lead the material to be applied in the future to develop electronic and opto-electronic devices.

Theoretical and experimental study of electronic, structural and optical properties of PVDF-SnO2:Zr nanocomposites for novel optoelectronic applications

Current research elaborates theoretical and experimental investigations on SnO2:Zr added PVDF nanocomposites. The electronic and optical properties of Zr doped SnO2 are studied using the Wien2k code. After obtaining a good optical response of SnO2 at various Zr concentrations, thin films of PVDF-SnO2:Zr nanocomposites are prepared using the co-precipitation method. SEM analysis of SnO2:Zr reveals agglomerated nanoparticles with hollow regions, while nanofiller added PVDF shows acicular morphology, which improves the photoresponse of materials. EDX predicts the correct elemental composition in each case. Optical band gap of PVDF-SnO2:Zr nanocomposites thin films is significantly reduced, which helps in good conduction. The optical properties of SnO2 are enhanced by varying Zr contents, and consequently, the addition of these nanofillers to the PVDF matrix results in an improvement of optical response in the visible region. Enhanced absorption and conductivity with the effect of increasing nanofillers contents and an increase in dielectric constant emphasize the potential uses of these polymer nanocomposites in novel photovoltaic, solar, optoelectronic, and energy storage devices.

Chalcogen Doping in SnO2: A DFT Investigation of Optical and Electronic Properties for Enhanced Photocatalytic Applications.

Tin dioxide (SnO2) is an important transparent conductive oxide (TCO), highly desirable for its use in various technologies due to its earth abundance and non-toxicity. It is studied for applications such as photocatalysis, energy harvesting, energy storage, LEDs, and photovoltaics as an electron transport layer. Elemental doping has been an established method to tune its band gap, increase conductivity, passivate defects, etc. In this study, we apply density functional theory (DFT) calculations to examine the electronic and optical properties of SnO2 when doped with members of the oxygen family, namely S, Se, and Te. By calculating defect formation energies, we find that S doping is energetically favourable in the oxygen substitutional position, whereas Se and Te prefer the Sn substitutional site. We show that S and Se substitutional doping leads to near gap states and can be an effective way to reduce the band gap, which results in an increased absorbance in the optical part of the spectrum, leading to improved photocatalytic activity, whereas Te doping results in several mid-gap states.

Energy transfer from SnO2 host to Eu3+ ions and photoluminescence quenching of SnO2:Eu3+ nanocrystals

SnO2:Eu3+ nanoparticles were prepared by hydrothermal method. The crystal structure, size, phase composition, and morphology of the materials were investigated by X-ray diffraction measurements, scanning electron microscopy, Raman scattering spectroscopy. The absorption and optical properties of the materials were studied by UV–vis absorption spectroscopy, photoluminescence excitation spectroscopy, and photoluminescence spectroscopy. Results showed that the SnO2:Eu3+ nanoparticles had a tetragonal rutile crystal structure and were about 5–15 nm in size. They were also smaller than pure SnO2. When doping Eu3+ into SnO2, the crystal size of SnO2:Eu3+ nanoparticles decreased, the defects increased, and the crystallinity decreased. The SnO2:Eu3+ samples emitted in the emission region related to the SnO2 host and the emission peaks of the Eu3+ ion impurity. Moreover, energy transfer occurred from the SnO2 host to Eu3+ ions. The photoluminescence spectra of SnO2:Eu3+ nanoparticles with indirect and direct excitation were further studied. The influences of Eu3+ concentration on the structure, morphology, and optical properties of SnO2:Eu3+ nanoparticles were investigated in detail.

Tailoring SnO2 Defect States and Structure: Reviewing Bottom-Up Approaches to Control Size, Morphology, Electronic and Electrochemical Properties for Application in Batteries.

Tin oxide (SnO2) is a versatile n-type semiconductor with a wide bandgap of 3.6 eV that varies as a function of its polymorph, i.e., rutile, cubic or orthorhombic. In this review, we survey the crystal and electronic structures, bandgap and defect states of SnO2. Subsequently, the significance of the defect states on the optical properties of SnO2 is overviewed. Furthermore, we examine the influence of growth methods on the morphology and phase stabilization of SnO2 for both thin-film deposition and nanoparticle synthesis. In general, thin-film growth techniques allow the stabilization of high-pressure SnO2 phases via substrate-induced strain or doping. On the other hand, sol-gel synthesis allows precipitating rutile-SnO2 nanostructures with high specific surfaces. These nanostructures display interesting electrochemical properties that are systematically examined in terms of their applicability to Li-ion battery anodes. Finally, the outlook provides the perspectives of SnO2 as a candidate material for Li-ion batteries, while addressing its sustainability.

Impact of fluorine and chlorine doping on the structural, electronic, and optical properties of SnO2: first-principles study

In this work, we carried out in-depth study of the structural, electronic, and optical properties of intrinsic, fluorine (F)- and chlorine (Cl)-doped SnO2, using a pseudo-potential plane-wave scheme in the framework of the density functional theory. We found that the substitution of oxygen by F or Cl elements slightly modified the crystalline parameters without altering the stability of SnO2 compounds. The doping of tin oxide by these two halogens is confirmed by the displacement of the Fermi level position to the conduction band. Consequently, the doped materials are strongly degenerated as illustrated by the Moss-Burstein shift: 2.310 and 2.332 eV for F:SnO2 and Cl:SnO2, respectively. On the other hand, the density of states and Mulliken population analysis show that the covalent character of Sn–O bond is maintained after doping, while Sn–X (X = F or Cl) bond reveals an ionic nature. In terms of optical properties after doping, intrinsic SnO2 exhibits low absorption, while the doped ones are transparent in the visible range, making them more efficient in photovoltaic applications. Moreover, in the ultraviolet (UV) scale, pure and doped tin oxide compounds show better absorption, which may be beneficial for use in devices of protection against UV light and UV absorbers or sensors. Finally, the plasma frequencies of 28.22, 29.16, and 27.67 eV for pure, F-, and Cl-doped SnO2, respectively, were obtained.

Effect of Fluorine Concentration on Structural, Electrical and Optical Properties of SnO2:F Thin Films Orepared by Spray Pyrolysis Technique

Fluorine doped tin oxide, SnO2: F (FTO) thin films deposited on glass substrates at 405±2˚C have been prepared using Spray Pyrolysis Technique. Structural, electrical and optical properties of FTO thin films under different doping concentration (5, 15, 20, 25 and 30) wt% are investigated using XRD patterns, Hall effect measurement and UV–Vis spectrophotometry. X-ray diffraction studies of FTO films indicate that all films are polycrystalline with tetragonal structure. The lattice constants a and c vary from (4.7269 to 4.7557)Å and (3.2548 to3.2103) Å respectively. While the crystallite size D varies from 8.07 to 7.85 nm. Electrical measurements showed that all the films are of n-type conductivity. Carriers mobility (μ), concentration of carrier (n) and resistivity (ρ) reached 6.05 cm2/Vs, 5.62x1019cm-3 and 8.79x10-2 Ω cm, respectively. The energy gap decrease from 3.9 to 3.78 eV with increase fluorine concentration from (5-30) wt% respectively. FTO films can be used as conducting layers(Electrodes) in photovoltaic devices.

Numerical investigation on optical properties of SnO2 by co-doping with Al and N

We investigated the electronic structure and optical properties of the different N-doped position models in Al–N co-doped SnO2 by using the first principles based local density approximation method. By doping Al or N elements, the band gap is broadened linearly and dramatically. Compared with Al:SnO2, the appeared impurity levels induced by N element led to the more transitions from the other levels in the valence band to these impurity levels, leading to an enhanced conductivity and ε2(ω). The absorption edge of the system has red-shifted, the reflectivity is also enhanced.

Effect of substrate temperature on some optical properties of SnO:ZnS4, SnO:CoS4 SnO:CuS4 and SnO:Cr3+ thin films deposited using spray pyrolysis technique

Tin oxide (SnO) thin films is one of the most extremely studied oxides because of its usefulness in UV-detector. SnO is known for wide bandgap of 3.6eV which makes it a good candidate for window layers in heterjunction solar cells. Transition metal chalcogenides (TMCs) exhibits unique properties such as high conversion efficiency, good absorption coefficient and good bandgap energy which make their thin films versatile as a coating materials. Spray pyrolysis have been used to deposit SnO (core), SnO/ZnS, SnO/CrS, SnO/CoS and SnO/CuS (biphasic) at 0.1M concentration and different substrate temperatures of 100oC, 150oC and 200oC. The effect of varying substrate temperatures on the optical and structural properties of the SnO (core) and SnO/TMCs (biphasic) films were examined and analysed. The result showed that the optical transmittance decreased with increase in substrate temperature for SnO (core). The result showed that the absorbance of the SnO thin films at various substrate temperatures vary from 0.10 – 0.7. For the biphasic films, SnO/ZnS, SnO/CrS, SnO/CoS and SnO/CuS the absorbance decreases in the neighbourhood of 300nm-350nm, increases from 350nm-600nm and decreases between 600-100nm for the different substrate temperature of 100oC, 150oC and 200oC. The reflectance spectra of SnO films were found fluctuating between maxima and minima while biphasic films altered the reflectance which showed very low reflectance as observed. The bandgap energy for SnO are 2.00eV, 2.10eV, and 2.20eV at 100oC, 150oC and 200oC substrate temperature. The energy band gap increased with substrate temperature. Whereas for biphasic films, the bandgap was in the neighourhood of 1.10eV1.60eV for the different substrate temperature. The extinction coefficient (k) of SnO films increased with increase in substrate temperature while in biphasic films, the extinction coefficient showed significant reduction in magnitude irrespective of the substrate temperature. The refractive index of all the film samples were generally low irrespective of the substrate temperature. The films:SnO and biphasic displayed low value of dielectric constant irrespective of the substrate temperature. The result equally reveals that the optical conductivity for SnO decreases with increase in the substrate temperature.

Effect of Low-Doping Concentration on Silver-Doped SnO2 and its Photocatalytic Applications

Stannic Oxide (SnO2) is in the class of metal oxide semiconductors, which is widely employed in a series of applications because of its excellent electrical and optical properties. In this study, we reported the synthesis of undoped and silver (Ag) doped SnO2 via a simple coprecipitation technique to study the photocatalytic activities of Ag/SnO2. Different characterization techniques, such as XRD, SEM, EDX, FTIR, RAMAN, and DRS were used to study the effect of the doping concentration of Ag on the structural, morphological, compositional, and optical properties of SnO2. The XRD spectrum showed the tetragonal structure of SnO2 and Ag/SnO2. The SEM micrographs show the irregular distribution of particles with different shapes and sizes. The EDX results show the incorporation of the Ag element into SnO2. The optical property shows narrowed bandgap energy with Ag content. The photocatalytic activity of the samples was studied by the photocatalytic degradation of Methylene Blue (MB) dye. The photocatalytic activity results reveal that 1wt% of Ag/SnO2 has a better photocatalytic performance of 97.63% when compared to undoped SnO2.

Impact of boron and indium doping on the structural, electronic and optical properties of SnO2

Tin dioxide (SnO2), due to its non-toxicity, high stability and electron transport capability represents one of the most utilized metal oxides for many optoelectronic devices such as photocatalytic devices, photovoltaics (PVs) and light-emitting diodes (LEDs). Nevertheless, its wide bandgap reduces its charge carrier mobility and its photocatalytic activity. Doping with various elements is an efficient and low-cost way to decrease SnO2 band gap and maximize the potential for photocatalytic applications. Here, we apply density functional theory (DFT) calculations to examine the effect of p-type doping of SnO2 with boron (B) and indium (In) on its electronic and optical properties. DFT calculations predict the creation of available energy states near the conduction band, when the dopant (B or In) is in interstitial position. In the case of substitutional doping, a significant decrease of the band gap is calculated. We also investigate the effect of doping on the surface sites of SnO2. We find that B incorporation in the (110) does not alter the gap while In causes a considerable decrease. The present work highlights the significance of B and In doping in SnO2 both for solar cells and photocatalytic applications.

The Optical Properties of Thin Films Tin Oxide with Triple Doping (Aluminum, Indium, and Fluorine) for Electronic Device

Tin oxide (SnO2) thin film is a form of modification of semiconductor material in nanosize. The thin film study aims to analyze the effect of triple doping (Aluminum, Indium, and Fluorine) on the optical properties of SnO2: (Al + In + F) thin films. Aluminum, Indium, and Fluorine as doping SnO2 with a mass percentage of 0, 5, 10, 15, 20, and 25% of the total thin-film material. The addition of Al, In, and F doping causes the thin film to change optical properties, namely the transmittance and absorbance values ​​changing. The transmittance value is 67.50, 73.00, 82.30, 87.30, 94.6, and 99.80 which is at a wavelength of 350 nm for the lowest to the highest doping percentage, respectively. The absorbance value increased with increasing doping percentage at 300 nm wavelength of 0.52, 0.76, 0.97, 1.05, 1.23, and 1.29 for 0, 5, 10, 15, 20, and 25% doping percentages, respectively. The absorbance value is then used to find the gap energy of the SnO2: (Al + In + F) thin film of the lowest doping percentage to the highest level i.e. 3.60, 3.55, 3.51, 3.47, 3.42, and 3.41 eV. Thin-film activation energy also decreased with values of 2.27, 2.04, 1.85, 1.78, 1.72, and 1.51 eV, respectively for an increasing percentage of doping. The thin-film SnO2: (Al + In + F) which experiences a gap energy reduction and activation energy makes the thin film more conductive because electron mobility from the valence band to the conduction band requires less energy and faster electron movement as a result of the addition of doping.

Physical properties of ultrasonically spray deposited Yttrium-doped SnO2 nanostructured films: supported by DFT study

The physical properties of ultrasonically spray deposited Yttrium (Y) doped tin dioxide (SnO2) are experimentally and theoretically investigated. The different diagnostics techniques such as X-ray diffraction (XRD), UV–Vis, scanning electron microscopy (SEM) and Hall effect measurements were performed to analyze the influence of yttrium doping ratio on the structural, optical and electrical properties of Y-doped SnO2 nanostructured films. Additionally, density functional theory (DFT) is applied to calculate and check the energy gap, lattice parameters and optical properties of SnO2 with different Y doping ratios. Super cell of Y-doped SnO2 was formed using Wien2k, and analyzed to physical properties of un-doped and Y doped stoichiometry with different ratios. Theoretical results are in agreement with the experimental results and the literature reports. Experimental results show that the optical band gap of fabricated sample increases with the increasing the Y doping amount in the tin dioxide film. The same tendency of energy band gap is observed with DFT calculation for Y-doped SnO2 compound. Theoretical results also show that the lattice parameter is nearly the same for pure and Y-doped SnO2 case, attributed to a change in the stoichiometry owing to metal doping. XRD results reveal that the all fabricated films are polycrystalline in the tetragonal Bravais lattice of tin dioxide, and the crystallite size, the crystalline orientation are affected by the Y doping level. The nanosized grains of the produced films are manipulated with increasing the Y dopant confirmed by the SEM. Y doped nanostructured films show the higher optical transmittance about 90% in ultra-violet region. Optical band gap gets widen from 3.689 to 3.810 eV with increasing the dopant amount. From Hall effect results, lower resistivity, higher carrier concentration and high enough mobility have been achieved by Y doping for the sample 5 at% Y:SnO2 based TCO film. The obtained results declared that Yttrium doping has an important effect on the optoelectronic properties, in particular, transparency and conductivity of SnO2 nanostructured film.

Synthesis, structural evolution, and optical properties of SnO2 hollow microspheres with manageable shell thickness

SnO2 hollow (H-SnO2) microspheres were successfully prepared via a facile one-step synthesis using SiO2 microspheres as templates and NaOH as a reactive etching agent.

Aluminum and silver doped effects on the electrical structure and optical properties of SnO2

We investigated the aluminum and silver doped effects on the electrical structure and optical properties of SnO2. The SnO2: Ag/Al system was calculated by using the plane-wave pseudopotential method based on density functional theory. The energy band structure, density of states, defect formation energy and optical properties were analyzed to detect the different performance. It is found that the Al element can significantly reduce the ionization energy of the single acceptor Ag impurity level. The formation energy of acceptor AlSn is significantly lower than that of AgSn, and the formation of complex defects in the Ag–Al co-doped system is lower than that of AlSn. Besides, doped elements make the absorption edge of the system red-shifted. It implies a potential method for the design of photoelectric devices.

Effect of the Eu3+-Sn4+ substitution on the structural and optical properties of SnO2:Eu3+

SnO2 nanocrystals with an average partiaxsxddccle size around 50 nm were prepared by using hydrothermal method. X-ray Diffraction (XRD) and Scanning Electron Microscopy (SEM) data show that the doping of Eu3+ with concentrations ranging from 0 to 2 mol% resulted in a slight decrease of size from 50 to 35 nm. The High Resolution Transmittance Electron Microscopy (HRTEM) results of 1 mol% doping sample provide that the crystals size is around 38 nm and the interplanar spacing is 0.34 nm characterized for (110) planes of SnO2. Moreover, the peak shape and relative intensity of Eu3+ emission upon a direct and indirect excitation indicate the presence of two sites around Eu3+ ions, that are in the D2h sites of SnO2 and on the surface of nanocrystals. The Eu3+ ions located in different sites are selectivity excited. An optimizing of synthesis parameters can promote the incorporation of Eu3+ ions in SnO2 crystal lattice. Specially, the doping leads to the growth of crystallites along (101) preferred plane. The competition between red and orange emission as a function of Eu3+ contents was also considered. Under indirect excitation, the asymmetric ratio between 5D0-7F2 and 5D0-7F1 transitions of Eu3+ ions is unaltered at 0.3 in the range of Eu concentrations from 0.5 to 2 mol% achieved for the first time. PL spectra and decay measurements give evidence about the strong energy transfer between SnO2 and Eu3+ ions.

Morphology, Structure, and Optical Properties of SnO (x) Films

The paper presents the morphological, structural, and optical properties of nanostructured SnO (x) films obtained by molecular beam epitaxy using deposition of tin in an oxygen flux on an oxidized silicon substrate as a function of the annealing temperature of the synthesized structure. The effect of annealing temperature on the structural and phase state of the films is established. The orthorhombic phase of SnO2 was observed after annealing in air at 500°C. An increase in the annealing temperature up to 800°C leads to the appearance of small fraction of the tetragonal phase of SnO2. The effect of the crystal structure on the optical properties of tin oxide films is shown. Ellipsometry revealed a sharp change in the optical constants of the film near the annealing temperature of 500°C. The observed wide absorption band in the range 1.9–3.4 eV is apparently associated with small (approximately 1%) amount of unoxidized metal Sn clusters. Photoluminescence in a wide range of 450–850 nm with a maximum at ~600 nm is observed. An increase in the annealing temperature from 500 to 800°С leads to an increase in the PL intensity by almost a factor of 6.

Ab initio calculations of the effect of N, Nb, and Ta doping on the electronic structure and optical properties of SnO2

Nanostructured nitrogen-, niobium-, and tantalum-doped tin oxides are investigated by first-principle calculations. First, the band structure, bond length, density of states, and projected density of states of pure tin oxide are evaluated. Then, the effect of nitrogen, niobium, and tantalum doping substituting O and Sn is compared with the pure case. In all cases, substitutional doping with N results in p-type conductivity whereas n-type conductivity results from Nb and Ta doping. Substitution of O with N and of Sn with Nb or Ta increases the bandgap of the structure, while substitution of Sn and Nb with N reduces the bandgap.

Морфология, структура и оптические свойства пленок SnO(x)

Морфология, структура и оптические свойства пленок SnO(x)

Density functional theory study of the electronic and optical properties of Si incorporated SnO2

The effect of Si concentration on the electronic and optical properties of Si incorporated SnO2 was investigated by density functional theory. SnO2 maintained the direct bandgap after Si incorporation, and the value of bandgap enlarged as the Si concentration increased. The formation of the Si–O covalent bond could reduce electron losses of Sn atoms that resulted in the decrease of electron concentration of SnO2 through the density of states and charge density analysis. On the basis of the calculation results of the optical properties including the dielectric function, refractive index, reflectivity, absorption, and electron energy-loss spectrum, the values of these parameters were reduced at a low energy region and these curves gradually shifted toward high energy as the Si concentration increased. It suggested that the optical properties of SnO2 could be improved by the Si atom over the infrared and visible spectra.