Search results for: inorganic molecular crystals

Authors: Abdul Majid, Alia Jabeen, Nimra Zulifqar

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The inorganic molecular crystal (IMCs) due to their unusual structure has grabbed a lot of attention due to anisotropy in crystal structure. The IMCs consist of the molecular structures joined together via weak forces. Therefore, a difference between the bonding between the inter-cage and intra-cage interactions exists. To look closely at the bonding and interactions, we investigated interactions between two cages of Sb2O3 structure. The interactions were characterized via Extended Transition State-Natural Orbital for Chemical Valence-method (ETS-NOCV), Natural Bond Orbitals (NBO) and Quantum Theory of Atoms in Molecules (QTAIM). The results revealed strong intra-cage covalent bonding while weak van der Waals (vdWs) interactions along inter-cages exits. This structure cannot be termed as layered material although they have anisotropy in bonding and presence of weak vdWs interactions but its bulk is termed as inorganic layered clusters. This is due to the fact that the free standing sheet/films with these materials are not possible. This type of structures may be the most feasible to be used for the system to deal with high pressures and stress bearing materials.

Keywords: inorganic molecular crystals, density functional theory, cages, interactions

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Authors: Yi-Hua Chen, Hsiang-Wen Tang, I-Ling Chang, Lien-Wen Chen

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The defect mode of two-dimensional phononic crystals with Archimedean tilings was explored in the present study. Finite element method and supercell method were used to obtain dispersion relation of phononic crystals. The simulations of the acoustic wave propagation within phononic crystals are demonstrated. Around the cavity which is created by removing several cylinders in the perfect Archimedean tilings, whispering-gallery mode (WGM) can be observed. The effects of the cavity geometry on the WGM modes are investigated. The WGM modes with high Q-factor and high cavity pressure can be obtained by phononic crystals with Archimedean tilings.

Keywords: defect mode, Archimedean tilings, phononic crystals, whispering-gallery modes

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Authors: Christian Röling, Elena Y. Poimanova, Vladimir V. Bruevich

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Here we demonstrate a non-destructive optical technique to localize and characterize single crystals of semiconductive organic materials – Spectroscopic Imaging Ellipsometry. With a combination of microscopy and ellipsometry, it is possible to characterize even micro-sized thin film crystals on plane surface regarding anisotropy, optical properties, crystalline domains and thickness. The semiconducting thiophene-phenylene co-oligomer 1,4-bis(5'-hexyl-[2,2'-bithiophen]-5-yl)benzene (dHex-TTPTT) crystals were grown by solvent based self-assembly technique on silicon substrate with 300 nm thermally silicon dioxide. The ellipsometric measurements were performed with an Ep4-SE (Accurion). In an ellipsometric high-contrast image of the complete sample, we have localized high-quality single crystals. After demonstrating the uniaxial anisotropy of the crystal by using Müller-Matrix imaging ellipsometry, we determined the optical axes by rotating the sample and performed spectroscopic measurements (λ = 400-700 nm) in 5 nm intervals. The optical properties were described by using a Lorentz term in the Ep4-Model. After determining the dispersion of the crystals, we converted a recorded Delta and Psi-map into a 2D thickness image. Based on a quantitative analysis of the resulting thickness map, we have calculated the height of a molecular layer (3.49 nm).

Keywords: anisotropy, ellipsometry, SCFET, thin film

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Authors: Kishor C. Poria, Deepak Adroja, Arvind Bajaj

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During the last few decades, the growth of single crystals has attained enormous importance for both academic research and technology. Single crystals are pillars of modern technology. In recent emerging trends of photonics and optoelectronics technology, there has been increased need for organic and semi organic materials for Non-Linear Optical (NLO) applications. The paper dealt with the initiation of good single crystals of thiourea and metal doped thiourea. The authors have successfully grown thiourea (pure) and metal doped thiourea crystals using relatively simple and inexpensive slow evaporation of aqueous solution technique. Pure thiourea crystals were grown with different light intensities and frequencies as there growth conditions. Metals (Cu, Co, Ni, Fe) doped crystals were grown using a simple evaporation technique. The paper explains growth methods and associated grown parameters in detail. The average size of the crystal is varied in size from 40 mm x 1mm to 1.5 mm x 1.5 mm to 0.5 mm. Crystals obtained are hexagonal, tetragonal, and rectangular in shape with different optical qualities. All grown crystals are characterized using X-Ray Diffraction Analysis (XRD), Ultra Violet Visible analysis, and Fourier Transform Infrared Spectrometry. Their non-linear optical characteristics were determined by Second Harmonic Generation (SHG) and their Laser Dispersive analysis. The grown crystals are characterized using Nd:YAG laser and the highest conversion efficiency of the signal pass light are calculated. It shows 58 % of standard values for KDP crystals. All results are summarized in this work.

Keywords: crystal, metal-doped thiourea, non-linear optical, NLO, thiourea

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Authors: Rakesh Hajiyani, Chetan Chauhan, Harshkant Jethva, Mihir Joshi

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Metal bis-thiourea type organo-metallic crystals are popular as non-linear optical materials. Bis-thiourea nickel barium chloride was synthesized and crystals were grown by slow aqueous solvent evaporation technique. The transparent and colorless crystals having maximum dimensions of 13 mm x 8 mm x 2.2 mm were obtained. The EDAX was carried out to estimate the content of nickel and barium in the grown crystals. The powder XRD analysis suggested orthorhombic crystal structure with unit cell parameters as: a= 9.70 Å, b= 10.68 Å and c= 17.95 Å. The FTIR spectroscopy study confirmed the presence of various functional groups. The UV-vis spectroscopy study indicated that the crystals were transparent in the visible region with 90% transmittance level further optical parameters were studied. From the TGA it was found that the crystals remained stable up to 170 0C and then decomposed through two decomposition stages. The dielectric study was carried out in the frequency range of applied field from 500 Hz to 1 MHz. The variations of dielectric constant, dielectric loss were studied with frequency. It was found that the dielectric constant and the dielectric loss decreased as the frequency of applied field increased. The results are discussed.

Keywords: crystal growth, dielectric study, optical parameters, organo-metallic crystals, powder xrd, slow evaporation technique, TGA

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Authors: Manal Alhazmi, Artem Mishchenko

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A molecular fluids' behavior and interaction with other materials at the nanoscale is a complex process. Nanoscale fluids behave so differently than macroscale fluids and interact with other materials in unique ways. It is, therefore, feasible to understand the molecular behavior of H₂O in such two-dimensional nanoscale systems by studying (CaSO4-2H2O), commonly known as gypsum. In the present study, spectroscopic measurements on a 2D structure of exfoliated gypsum crystals are carried out by Raman and IR spectroscopy. An array of gypsum flakes with thicknesses ranging from 8nm to 100nm were observed and analyzed for their Raman and IR spectrum. Water molecules stretching modes spectra lines were also measured and observed in nanoscale gypsum flakes and compared with those of bulk crystals. CaSO4-2H2O crystals have Raman and infrared bands at 3341 cm-1 resulting from the weak hydrogen bonds between the water molecules. This internal vibration of water molecules, together with external vibrations with other atoms, are responsible for these bands. There is a shift of about 70 cm-1 In the peak position of thin flakes with respect to the bulk crystal, which is a result of the different atomic arrangement from bulk to thin flake on the nano scale. An additional peak was observed in Raman spectra around 2910-3137 cm⁻¹ in thin flakes but is missing in bulk crystal. This additional peak is attributed to a combined mode of water internal (stretching mode at 3394cm⁻¹) and external vibrations. In addition to Raman and infra- red analysis of gypsum 2D structure, electrical measurements were conducted to reveal the water molecules transport behavior in such systems. Electrical capacitance of the fabricated device is measured and found to be (0.0686 *10-12) F, and the calculated dielectric constant (ε) is (12.26).

Keywords: gypsum, infra-red spectroscopy, raman spectroscopy, H₂O behavior

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Authors: Sudhir Kumar Sharma, Ramesh Jagannathan

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The interaction of organic and inorganic matrices of biological origin resulting in self-assembled structures with unique properties is well established. The development of such self-assembled nanostructures by synthetic and bio-inspired techniques is an established field of active research. Among bio-materials, nacre, a laminar stack of calcium carbonate nanosheets, which are interleaved with organic material, has long been focused research due to its unique mechanical properties. In this paper, we present the development of nacre-like lamellar structures made up of calcium carbonate via a wet chemical route. We used the binding affinity of carboxylate anions and calcium cations using poly (acrylic) acid (PAA) to lead CaCO₃ crystallization. In these experiments, we selected calcium acetate as the precursor molecule along with PAA (Mw ~ 8000 Da). We found that Ca⁺²/COO⁻ ratio provided a tunable control for the morphology and growth of CaCO₃ nanostructures. Drop casting one such formulation on a silicon substrate followed by calcination resulted in co-planner, molecular sheets of CaCO₃, separated by a spacer layer of carbon. The scope of our process could be expanded to produce unit cell thick molecular sheets of other important inorganic materials.

Keywords: self-assembled structures, bio-inspired materials, calcium carbonate, wet chemical route

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Authors: Samira Cherid, Samir Bentata, Feyza Zahira Meghoufel, Yamina Sefir, Sabria Terkhi, Fatima Bendahma, Bouabdellah Bouadjemi, Ali Zitouni

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Using the transfer-matrix technique and the Kronig Penney model, we numerically and analytically investigate the effect of short-range correlated disorder in random dimer model (RDM) on transmission properties of light in one dimension photonic crystals made of three different materials. Such systems consist of two different structures randomly distributed along the growth direction, with the additional constraint that one kind of these layers appears in pairs. It is shown that the one-dimensional random dimer photonic crystals support two types of extended modes. By shifting of the dimer resonance toward the host fundamental stationary resonance state, we demonstrate the existence of the ballistic response in these systems.

Keywords: photonic crystals, disorder, correlation, transmission

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Authors: P. Haldar, P. Ghosh, S. Ghoshdastidar, K. Kargupta

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In polymer electrolyte membrane fuel cells (PEMFC), the membrane electrode assembly (MEA) is consisting of two platinum coated carbon electrodes, sandwiched with one proton conducting phosphoric acid doped polymeric membrane. Due to low mechanical stability, flooding and fuel cell crossover, application of phosphoric acid in polymeric membrane is very critical. Phosphorous and silica based 3D inorganic gel gains the attention in the field of supercapacitors, fuel cells and metal hydrate batteries due to its thermally stable highly proton conductive behavior. Also as a large amount of water molecule and phosphoric acid can easily get trapped in Si-O-Si network cavities, it causes a prevention in the leaching out. In this study, we have performed molecular dynamics (MD) simulation and first principle calculations to understand the structural, electronics and electrochemical and morphological behavior of this inorganic gel at various P to Si ratios. We have used dipole-dipole interactions, H bonding, and van der Waals forces to study the main interactions between the molecules. A 'structure property-performance' mapping is initiated to determine optimum P to Si ratio for best proton conductivity. We have performed the MD simulations at various temperature to understand the temperature dependency on proton conductivity. The observed results will propose a model which fits well with experimental data and other literature values. We have also studied the mechanism behind proton conductivity. And finally we have proposed a structure for the gel paste with optimum P to Si ratio.

Keywords: first principle calculation, molecular dynamics simulation, phosphorous and silica based 3D inorganic gel, polymer electrolyte membrane fuel cells, proton conductivity

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Authors: Tom Spears, Zotique Laframboise

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Soil inorganic carbon is the most common form of carbon in arid and semiarid regions, and has a very long turnover time. However, little is known about dissolved inorganic carbon storage and its turnover time in these soils. With 81 arid soil samples taken from 6 profiles in the Nepean Desert, Canada, we investigated the soil inorganic carbon (SIC) and the soil dissolved inorganic carbon (SDIC) in whole profiles of saline and alkaline soils by analyzing their contents and ages with radiocarbon dating. The results showed that there is considerable SDIC content in SIC, and the variations of SDIC and SIC contents in the saline soil profile were much larger than that in the alkaline profile. We investigated the possible implications for tectonic platelet activity but identified none.

Keywords: soil, carbon storage, acidity, soil inorganic carbon (SIC)

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Authors: Pooja Seth, Shruti Aggarwal

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The Europium (Eu) doped (0.02-0.1 wt %) lithium fluoride (LiF) crystal in the form of multicrystalline sheet was gown by the edge defined film fed growth (EFG) technique. Crystals were grown in argon gas atmosphere using graphite crucible and stainless steel die. The systematic incorporation of Eu inside the host LiF lattice was confirmed by X-ray diffractometry. Thermoluminescence (TL) glow curve was recorded on annealed (AN) crystals after irradiation with a gamma dose of 15 Gy. The effect of different concentration of Eu in enhancing the thermoluminescence (TL) intensity of LiF was studied. The normalized peak height of the Eu-doped LiF crystal was nearly 12 times that of the LiF crystals. The optimized concentration of Eu in LiF was found to be 0.05wt% at which maximum TL intensity was observed with main TL peak positioned at 185 °C. At higher concentration TL intensity decreases due to the formation of precipitates in the form of clusters or aggregates. The nature of the energy traps in Eu doped LiF was analysed through glow curve deconvolution. The trap depth was found to be in the range of 0.2 – 0.5 eV. These results showed that doping with Eu enhances the TL intensity by creating more defect sites for capturing of electron and holes during irradiation which might be useful for dosimetry application.

Keywords: thermoluminescence, defects, gamma radiation, crystals

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Authors: Javier Varillas, Jorge Alcalá

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We investigate dislocation avalanche phenomena in face-centered cubic (FCC) and body-centered cubic (BCC) crystals using massive, large-scale molecular dynamics (MD) simulations. The analysis is focused on the intermittent development of dense dislocation arrangements subjected to uniaxial tensile straining under displacement control. We employ a novel computational scheme that allows us to inject an entangled dislocation structure in periodic MD domains. We assess the emission of plastic bursts (or dislocation avalanches) in terms of the sharp stress drops detected in the stress-strain curve. The plastic activity corresponds to the sporadic operation of specific dislocation glide processes exhibiting quiescent periods between successive avalanche events. We find that the plastic intermittences in our simulations do not overlap in time under sufficiently low strain rates as dissipation operates faster than driving, where the dense dislocation networks evolve through the emission of dislocation avalanche events whose carried slip adheres to self-organized power-law distributions. These findings enable the extension of the slip distributions obtained from strict displacement-controlled micropillar compression experiments towards smaller values of slip size. Our results furnish further understanding upon the development of entangled dislocation networks in metal plasticity, including specific mechanisms of dislocation propagation and annihilation, along with the evolution of specific dislocation populations through dislocation density analyses.

Keywords: dislocations, intermittent plasticity, molecular dynamics, slip distributions

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Authors: M. Ghali, M. Elnimr, G. F. Ali, A. M. Eissa, H. Talaat

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CuIn₃Se₅ material is indexed as ordered vacancy compounds having excellent matching properties with CuInGaSe (CIGS) solar absorber layer. For example, the valence band offset of CuIn₃Se₅ with CIGS is nearly 0.3 eV, and the lattice mismatch is less than 1%, besides the absence of discontinuity in their conduction bands. Thus, CuIn₃Se₅ can work as a passivation layer for repelling holes from CIGS/CdS interface and hence to reduce the interface carriers recombination and consequently enhancing the efficiency of CIGS/CdS solar cells. Theoretically, it was reported earlier that an improvement in the efficiency of p-CIGS-based solar cell with a thin ~100 nm of n-CuIn₃Se₅ layer is expected. Recently, a reported experiment demonstrated significant improvement in the efficiency of Molecular Beam Epitaxy (MBE) grown CIGS solar cells from 13.4 to 14.5% via inserting a thin layer of MBE-grown Cu(In,Ga)₃Se₅ layer at the CdS/CIGS interface. It should be mentioned that CuIn₃Se₅ material in either bulk or thin film form, are usually fabricated by high vacuum physical vapor deposition techniques (e.g., three-source co-evaporation, RF sputtering, flash evaporation, and molecular beam epitaxy). In addition, achieving photosensitive films of n-CuIn₃Se₅ material is important for new hybrid organic/inorganic structures, where inorganic photo-absorber layer, with n-type conductivity, can form n–p junction with organic p-type material (e.g., conductive polymers). A detailed study of the physical properties of CuIn₃Se₅ is still necessary for better understanding of device operation and further improvement of solar cells performance. Here, we report on the low-cost synthesis of CuIn₃Se₅ material in nano-scale size, with an average diameter ~10nm, using simple solution-based colloidal chemistry. In contrast to traditionally grown bulk tetragonal CuIn₃Se₅ crystals using high Vacuum-based technology, our colloidal CuIn₃Se₅ nanocrystals show cubic crystal structure with a shape of nanoparticles and band gap ~1.33 eV. Ink-coated thin films prepared from these nanocrystals colloids; display n-type character, 1.26 eV band gap and strong photo-responsive behavior with incident white light. This suggests the potential use of colloidal CuIn₃Se₅ as an active layer in all-solution-processed thin film solar cells.

Keywords: nanocrystals, CuInSe, thin film, optical properties

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Authors: Mahboobeh Mohadeszadeh, Majid Saghi

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Polyoxometalates (POMs) are important inorganic compounds that have been considered specifically in recent years due to abundant attributes and applications. Those POMs that have one central tetrahedral atom called keggin. The binding Amino-acid groups to keggin structure give the antivirus effect to these compounds. A new organic-inorganic hybrid structure, with formula (Gly)2H4SiW12O40 was synthesized. Investigation on Anti-viral effect of this compound showed the (Gly)2H4SiW12O40 prevents infection of Tobacco Mosaic Virus (TMV) on the Nicotianatabacum plants.

Keywords: Polyoxometalate, Keggin, Organic-inorganic salt, TMV

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Authors: Mahboobeh Mohadeszadeh, Majid Saghi

Abstract:

Polyoxometalates (POMs) are important inorganic compounds that have been considered specifically in recent years due to abundant attributes and applications. Those POMs that have one central tetrahedral atom called keggin. The binding Amino-acid groups to keggin structure give the antivirus effect to these compounds. A new organic-inorganic hybrid structure, with formula (Gly)2H4SiW12O40 was synthesized. Investigation on Anti-viral effect of this compound showed the (Gly)2H4SiW12O40 prevents infection of Tobacco Mosaic Virus (TMV) on the Nicotianatabacum plants.

Keywords: polyoxometalate, keggin, organic-inorganic salt, TMV

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Authors: Mahboobeh Mohadeszadeh, Majid Saghi

Abstract:

Polyoxometalates (POMs) are important inorganic compounds that have been considered specifically in recent years due to abundant attributes and applications. Those POMs that have one central tetrahedral atom called keggin. The binding Amino-acid groups to keggin structure give the antivirus effect to these compounds. A new organic-inorganic hybrid structure, with formula (Gly)2H4SiW12O40, was synthesized. Investigation on the anti-viral effect of this compound showed the (Gly)2H4SiW12O40 prevents infection of Tobacco Mosaic Virus (TMV) on the Nicotianatabacum plants.

Keywords: polyoxometalate, keggin, organic-inorganic salt, TMV

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Authors: V. Samulionis, J. Banys, A. Sánchez-Ferrer

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Inorganic nanoparticles are used for fabrication of various composites based on polymer materials because they exhibit a good homogeneity and solubility of the composite material. Multifunctional materials based on composites of a polymer containing inorganic nanotubes are expected to have a great impact on industrial applications in the future. An emerging family of such composites are polyurea elastomers with inorganic MoS2 nanotubes or MoSI nanowires. Polyurea elastomers are a new kind of materials with higher performance than polyurethanes. The improvement of mechanical, chemical and thermal properties is due to the presence of hydrogen bonds between the urea motives which can be erased at high temperature softening the elastomeric network. Such materials are the combination of amorphous polymers above glass transition and crosslinkers which keep the chains into a single macromolecule. Polyurea exhibits a phase separated structure with rigid urea domains (hard domains) embedded in a matrix of flexible polymer chains (soft domains). The elastic properties of polyurea can be tuned over a broad range by varying the molecular weight of the components, the relative amount of hard and soft domains, and concentration of nanoparticles. Ultrasonic methods as non-destructive techniques can be used for elastomer composites characterization. In this manner, we have studied the temperature dependencies of the longitudinal ultrasonic velocity and ultrasonic attenuation of these new polyurea elastomers and composites with inorganic nanoparticles. It was shown that in these polyurea elastomers large ultrasonic attenuation peak and corresponding velocity dispersion exists at 10 MHz frequency below room temperature and this behaviour is related to glass transition Tg of the soft segments in the polymer matrix. The relaxation parameters and Tg depend on the segmental molecular weight of the polymer chains between crosslinking points, the nature of the crosslinkers in the network and content of MoS2 nanotubes or MoSI nanowires. The increase of ultrasonic velocity in composites modified by nanoparticles has been observed, showing the reinforcement of the elastomer. In semicrystalline polyurea elastomer matrices, above glass transition, the first order phase transition from quasi-crystalline to the amorphous state has been observed. In this case, the sharp ultrasonic velocity and attenuation anomalies were observed near the transition temperature TC. Ultrasonic attenuation maximum related to glass transition was reduced in quasicrystalline polyureas indicating less influence of soft domains below TC. The first order phase transition in semicrystalline polyurea elastomer samples has large temperature hysteresis (> 10 K). The impact of inorganic MoS2 nanotubes resulted in the decrease of the first order phase transition temperature in semicrystalline composites.

Keywords: inorganic nanotubes, polyurea elastomer composites, ultrasonic velocity, ultrasonic attenuation

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Authors: G. De Matteis, L. Martina, V. Turco

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The work is focused on determining and comparing special nonlinear static configurations in cholesteric liquid crystals (CLCs), confined between two parallel plates and in the presence of an external static electric/magnetic field. The solutions are stabilised by topological and non-topological conservation laws since they are described in terms of integrable or partially integrable nonlinear boundary value problems. In cholesteric liquid crystals which are subject to geometric frustration; anchoring conditions at boundaries, i.e., homeotropic conditions, are incompatible with the cholesteric twist. This aspect turns out to be essential in the admissible classes of solutions, allowing also for disclination type singularities. Within the framework of Frank-Oseen theory, we study the static configurations for CLCs. First, we find numerical solutions for isolated axisymmetric states in confined CLCs with weak homeotropic anchoring at the boundaries. These solutions describe 3-dimensional modulations, namely spherulites or cholesteric bubbles, actually observed in these systems, of standard baby skyrmions. Relations with well-known nonlinear integrable systems are found and are used to explore the asymptotic behavior of the solutions. Then we turn our attention to extended periodic static configurations called Helicoids or cholesteric fingers, described by an elliptic sine-Gordon model with appropriate boundary conditions, showing how their period and energies are determined by both the thickness of the cell and the intensity of the external electric/magnetic field. We explicitly show that helicoids with π or 2π of rotations of the molecular director are different in many aspects and are not simply algebraically related. The behaviour of the solutions, their energy and the properties of the associated disclinations are discussed in detail, both analytically and numerically.

Keywords: cholesteric liquid crystals, geometric frustration, helicoids, skyrmions

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Authors: Bahattin Abay

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Thin film of polycyclic aromatic hydrocarbon rubrene, C₄₂H₂₈ (5,6,11,12-tetraphenyltetracene), has been surfaced on Moderately Doped (MD) n-InP substrate as an interfacial layer by means of spin coating technique for the electronic modification of Au/MD n-InP structure. Ex situ annealing has been carried out at 150 °C for three minutes under a brisk flow of nitrogen for the better adhesion of the deposited film with the substrate surface. Room temperature electrical characterization has been performed on the C₄₂H₂₈/MD n-InP hybrid junctions by current-voltage (I-V) and capacitance-voltage (C-V) measurement in the dark. It has been seen that the C₄₂H₂₈/MD n-InP structure demonstrated extraordinary rectifying behavior. An effective barrier height (BH) as high as 0.743 eV, along with an ideality factor very close to unity (n=1.203), has been achieved for C₄₂H₂₈/n-InP organic/inorganic device. A thin C₄₂H₂₈ interfacial layer between Au and MD n-InP also reduce the reverse leakage current by almost four orders of magnitude and enhance the BH about 0.278 eV. This good performance of the device is ascribed to the passivation effect of organic interfacial layer between Au and n-InP. By using C-V measurement, in addition, the value of BH of the C₄₂H₂₈/n-InP organic/inorganic hybrid junctions have been obtained as 0.796 eV. It has been seen that both of the BH value (0.743 and 0.796 eV) for the organic/inorganic hybrid junction obtained I-V and C-V measurement, respectively are significantly larger than that of the conventional Au/n-InP structure (0.465 and 0.503 eV). It was also seen that the device had good sensitivity to the light under 100 mW/cm² illumination conditions. The obtained results indicated that modification of the interfacial potential barrier for Metal/n-InP junctions might be attained using polycyclic aromatic hydrocarbon thin interlayer C₄₂H₂₈.

Keywords: I-V and C-V measurements, heterojunction, n-InP, rubrene, surface passivation

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Authors: M. Shahina, K. Fakruddin, C. M. Subhan, S. Rangappa

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In this work, two mixtures with equal concentrations of 1) 4ꞌ-(6-(4-(pentylamino) methyl)-3-hydroxyphenoxy) hexyloxy) biphenyl-4-carbonitrile+-4-((4-(hexyloxy) benzylidene) amino) phenyl 4-butoxy benzoate and 2) 4ꞌ - (6-(4-(hexylamino) methyl)-3-hydroxyphenoxy) hexyloxy) biphenyl-4-carbonitrile+-4-((4-(octyloxy) benzylidene) amino) phenyl 4-butoxy benzoate, have been prepared. The transition temperature and optical texture are observed by using thermal microscopy. Density and birefringence studies are carried out on the above liquid crystalline mixtures. Using density and refractive indices data, the molecular polarizabilities are evaluated by using well-known Vuks and Neugebauer models. The molecular polarizability is also evaluated theoretically by Lippincott δ function model. The results reveal that the polarizability values are same in both experimental and theoretical methods.

Keywords: liquid crystals, optical textures, transition temperature, birefringence, polarizability

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Authors: Reneiloe Seodigeng, John Kabuba, Hilary Rutto, Tumisang Seodigeng

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Urine diversion toilets have become popular as a means of solving the challenges in sanitation. As a result, the source-separated urine must be adequately treated so that it can be disposed of safely and valuable struvite can be extracted for use as fertilizer. In this study, synthetic urine was prepared, and struvite crystallisation experiments carried out using magnesium nitrate. The effect of residence time on crystal growth was studied. At residence time of 10, 30 and 60 minutes, mean particle sizes were 17, 34 and 53 µm showing that with higher residence times, larger crystal sizes can be achieved. SEM analysis of the crystal showed that the resultant crystals had the typical morphology of struvite crystals.

Keywords: struvite, magnesium nitrate, crystallisation, urine treatment

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Authors: S. Sathiyamoorthi, P. Srinivasan, K. Suganya Devi

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Arylidene derivatives are the subclass of chalcone derivatives. Chalcone derivatives are studied widely for the past decade because of its nonlinearity. To seek new organic group of crystals which suit for fabrication of optical devices, three-member organic arylidene crystals were synthesized by using Claisen–Schmidt condensation reaction. Good quality crystals were grown by slow evaporation method. Functional groups were identified by FT-IR and FT-Raman spectrum. Optical transparency and optical band gap were determined by UV-Vis-IR studies. Thermal stability and melting point were calculated using TGA and DSC. Variation of dielectric loss and dielectric constant with frequency were calculated by dielectric measurement.

Keywords: DSC and TGA studies, nonlinear optic studies, Fourier Transform Infrared Spectroscopy, UV-vis-NIR spectra

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Authors: Haesook Kim, Ha Na Ra, Mansu Kim, Hyun Gi Kim, Sung Soo Kim

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Epoxy-ZrP (α-zirconium phosphate) nanocomposites were coated on inorganic barrier layer such as sputtering and atomic layer deposition (ALD) to improve the barrier properties and protect the layer. ZrP nanoplatelets were synthesized using a reflux method and exfoliated in the polymer matrix. The barrier properties of coating layer were characterized by measuring water vapor transmission rate (WVTR). The WVTR dramatically decreased after epoxy-ZrP nanocomposite coating, while maintaining the optical properties. It was also investigated the effect of epoxy-ZrP coating on inorganic layer after bending and reliability test. The optimal structure composed of inorganic and epoxy-ZrP nanocomposite layers was used in organic light emitting diodes (OLED) encapsulation.

Keywords: α-zirconium phosphate, barrier properties, epoxy nanocomposites, OLED encapsulation

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Authors: Rabih Al-Kaysi

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When quasi-stable solutions of 9-methylanthracene (pi-electron donor, 0.0005 M) and 1,2,4,5-Tetracyanobenzene (pi-electron acceptor, 0.0005 M) in aqueous sodium dodecyl sulfate (SDS, 0.025 M) were gently mixed, uniform-shaped rectangular charge-transfer nanocrystals precipitated out. These red colored charge-transfer (CT) crystals were composed of a 1:1-mole ratio of acceptor/ donor and are highly insoluble in water/SDS solution. The rectangular crystals morphology is semi hollow with symmetrical twin pockets reminiscent of nanocapsules. For a typical crop of nanocapsules, the dimensions are 21 x 6 x 0.5 microns with an approximate hollow volume of 1.5 x 105 nm3. By varying the concentration of aqueous SDS, mixing duration and incubation temperature, we can control the size and volume of the nanocapsules. The initial number of CT seed nanoparticles, formed by mixing the D and A solutions, determined the number and dimensions of the obtained nanocapsules formed after several hours of incubation under still conditions. Prolonged mixing of the donor and acceptor solutions resulted in plenty of initial seeds hence smaller nanocapsules. Short mixing times yields less seed formation and larger micron-sized capsules. The addition of Doxorubicin in situ with the quasi-stable solutions while mixing leads to the formation of CT nanocapsules with Doxorubicin sealed inside. The Doxorubicin can be liberated from the nanocapsules by cracking them using ultrasonication. This method can be extended to other binary CT complex crystals as well.

Keywords: charge-transfer, nanocapsules, nanocrystals, doxorubicin

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Authors: Yingqian Chen, Sergei Manzhos

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Organic electrodes are a way to achieve high rate (high power) and environment-friendly batteries. We present a computational density functional theory study of Li and Na storage in tetracyanoethylene based molecular and crystalline materials. Up to five Li and Na atoms can be stored on TCNE chemisorbed on doped graphene (corresponding to ~1000 mAh/gTCNE), with binding energies stronger than cohesive energies of the Li and Na metals by 1-2 eV. TCNE has been experimentally shown to form a crystalline material with Li with stoichiometry Li-TCNE. We confirm this computationally and also predict that a similar crystal based of Na-TCNE is also stable. These crystalline materials have well defined channels for facile Li or Na ion insertion and diffusion. Specifically, Li and Na binding energies in Li-TCNE and Na-TCNE crystals are about 1.5 eV and stronger than the cohesive energy of Li and Na, respectively. TCNE immobilized on conducting graphene-based substrates and Li/Na-TCNE crystals could therefore become efficient anode materials for organic Li and Na ion batteries, with which it should also be possible to avoid reduction of common battery electrolytes.

Keywords: organic ion batteries, tetracyanoethylene, cohesive energies, electrolytes

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Authors: Ansong Richard Omari, Yosei Oikawa, Yoshiharu Fujii, Dorothea Sonoko Bellingrath-Kimura

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Renewed interest in soil management aimed at improving the productive capacity of Sub Saharan Africa (SSA) soils has called for the need to analyse the long term effect of different fertilization systems on soil. This study was conducted in two agroecological zones (i.e., Guinea Savannah (GS) and Deciduous forest (DF)) of Ghana to evaluate the impacts of long term (> 5 years) fertilization schemes on soil chemical and microbial properties. Soil samples under four different fertilization schemes (inorganic, inorganic and organic, organic, and no fertilization) were collected from 20 farmers` field in both agroecological zones. Soil analyses were conducted using standard procedures. All average soil quality parameters except extractable C, potential mineralizable nitrogen and CEC were significantly higher in DF sites compared to GS. Inorganic fertilization proved superior in soil chemical and microbial biomass especially in GS zone. In GS, soil deterioration index (DI) revealed that soil quality deteriorated significantly (−26%) under only organic fertilization system whereas soil improvement was observed under inorganic and no fertilization sites. In DF, either inorganic or organic and inorganic fertilization showed significant positive effects on soil quality. The high soil chemical composition and enhanced microbial biomass in DF were associated with the high rate of inorganic fertilization.

Keywords: deterioration index, fertilization scheme, microbial biomass, tropical agroecological zone

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Authors: A. Mousavi, S. Sadegzadeh

Abstract:

In this research, the effect of non-thermal micro plasma with non-Maxwellian distribution function on the one dimensional plasma photonic crystals containing alternate plasma-dielectric layers, has been studied. By using Kronig Penny model, the dispersion relation of electromagnetic modes for such a periodic structure is obtained. In this study we take two plasma photonic crystals with different dielectric layers: the first one with Silicon monoxide named PPCI, and the second one with Tellurium dioxide named PPCII. The effects of the plasma layer thickness and the material of the dielectric layer on the plasma photonic crystal band gaps have been illustrated in the dispersion relation and the group velocity figures. Results revealed that in such a system, the non-thermal plasma exerts stronger limit on the wave’s propagation. In another word, for the non-thermal plasma photonic crystals (NPPC), there are two distinct regions in the dispersion plot. The upper region consists of alternate band gaps in such a way that both width and length of the bands decrease gradually as the band gaps order increases. Whereas in the lower region where v_ph > 20 c (for PPCI), waves will not be allowed to propagate.

Keywords: band gap, dispersion relation, non-thermal plasma, plasma photonic crystal

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Authors: Suminar Pratapa, Agus Riyanto, Silmi Machmudah, Sri Yani Purwaningsih

Abstract:

The objective of this study was to investigate the optical properties of polyvinyl alcohol (PVA) and its prospective applications by adding crystalline silica which is usually used as a reinforcing agent. To do this, we synthesized and evaluated PVA-based composites reinforced with silica crystals, namely cristobalite, derived from rice husk. The experimental procedure involved the production of SiO2 particles using rice husk precursors, which were subsequently subjected to calcination at a rate of 10 °C/min for a duration of 3 hours. This process primarily resulted in the formation of SiO2 crystals in the cristobalite phase, according to X-ray diffraction (XRD). Following this, the crystals were incorporated into polyvinyl alcohol (PVA) via a casting technique, resulting in the formation of composite sheets. The SiO2 contents in the composites were 0, 2.5, 5.0, and 10.%. XRD and Fourier-transform infrared spectroscopy (FTIR) techniques provided confirmation of the composites' successful synthesis, i.e., it did not yield any indications of chemical bonding between polyvinyl alcohol (PVA) and silicon dioxide (SiO2), indicating that the interaction was limited to interfacial reactions. The incorporation of SiO2 crystals resulted in a notable enhancement in UV-vis light absorption and a decrease in the optical band gap. Addition of 2.5, 5.0, and 10.% SiO2, for example, decreases the direct optical band gap of the composites form 5.37, 5.19, and 5.02 eV respectively, while the indirect band gaps of the samples were 4.44, 4.84, and 4.48 eV, correspondingly. These findings emphasize the efficacy of rice husk-derived SiO2 crystals as both reinforcement agents and modifiers of optical properties in the polymer composites, showcasing their significant potential to modify the composite's structural and optical characteristics.

Keywords: rice husk, cristaline SiO₂, PVA-based composites, structural characteristics, optical properties.

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Authors: Sindhu S Nair, Atul Thakur, Preeti Thakur, Trukhanov Alex

Abstract:

Perovskite-based absorbing materials that are organic, inorganic, or hybrid have gained interest as an appealing candidate for the development of solar cell devices. Lead-based perovskites are among the most promising materials, but their application is plagued with toxicity and stability concerns. Most of the perovskite solar cell consists of conventional (n-i-p) structure with organic or inorganic charge transport materials. The commercial application of such device is limited due to higher J-V hysteresis and the need for high temperature during fabrication. This numerical analysis primarily directs to investigate the performance of various inorganic lead-free valency ordered double perovskite absorber materials and to develop an inverted perovskite solar cell device structure. Simulation efforts using SCAPS-1D was carried out with various organic and inorganic charge transport materials with absorber layer materials, and their performance has been evaluated for various factors of thickness, absorber thickness, absorber defect density, and interface defect density to achieve the optimized structure.

Keywords: perovskite materials, solar cell, inverted solar cell, inorganic perovskite solar cell materials, cell efficiency

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Authors: Azyuni Aziz, Syed A. Malik, Shahrul Kadri Ayop, Fatin Hana Naning

Abstract:

Currently, organic-inorganic hybrid thin films have attracted researchers to explore them, where these thin films can give a lot of benefits. Hybrid thin films are thin films that consist of inorganic and organic materials. Inorganic and organic materials give high efficiency and low manufacturing cost in some applications such as solar cells application, furthermore, organic materials are environment-friendly. In this study, poly (3-hexylthiophene) was choosing as organic material which combined with inorganic nanoparticles, Cadmium Sulfide (CdS) quantum dots. Samples were prepared using new technique, Angle Lifting Deposition (ALD) at different weight percentage. All prepared samples were then characterized by Field Emission Scanning Electron Microscopy (FESEM) with Energy-dispersive X-ray spectroscopy (EDX) and Atomic Force Microscopy (AFM) to study surface of samples and determine their surface roughness. Results show that these inorganic nanoparticles have affected the surface of samples and surface roughness of samples increased due to increasing of weight percentage of CdS in the thin films samples.

Keywords: AFM, CdS, FESEM-EDX, hybrid thin films, P3HT

Procedia PDF Downloads 500