Search results for: vacancies
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 61

Search results for: vacancies

61 Talent-to-Vec: Using Network Graphs to Validate Models with Data Sparsity

Authors: Shaan Khosla, Jon Krohn

Abstract:

In a recruiting context, machine learning models are valuable for recommendations: to predict the best candidates for a vacancy, to match the best vacancies for a candidate, and compile a set of similar candidates for any given candidate. While useful to create these models, validating their accuracy in a recommendation context is difficult due to a sparsity of data. In this report, we use network graph data to generate useful representations for candidates and vacancies. We use candidates and vacancies as network nodes and designate a bi-directional link between them based on the candidate interviewing for the vacancy. After using node2vec, the embeddings are used to construct a validation dataset with a ranked order, which will help validate new recommender systems.

Keywords: AI, machine learning, NLP, recruiting

Procedia PDF Downloads 53
60 Visible-Light-Driven OVs-BiOCl Nanoplates with Enhanced Photocatalytic Activity toward NO Oxidation

Authors: Jiazhen Liao, Xiaolan Zeng

Abstract:

A series of BiOCl nanoplates with different oxygen vacancies (OVs) concentrations were successfully synthesized via a facile solvothermal method. The concentration of OVs of BiOCl can be tuned by the ratios of water/ethylene glycol. Such nanoplates containing oxygen vacancies served as an efficient visible-light-driven photocatalyst for NO oxidation. Compared with pure BiOCl, the enhanced photocatalytic performance was mainly attributed to the introduction of OVs, which greatly enhanced light absorption, promoted electron transfer, activated oxygen molecules. The present work could provide insights into the understanding of the role of OVs in photocatalysts for reference. Combined with characterization analysis, such as XRD(X-ray diffraction), XPS(X-ray photoelectron spectroscopy), TEM(Transmission Electron Microscopy), PL(Fluorescence Spectroscopy), and DFT (Density Functional Theory) calculations, the effect of vacancies on photoelectrochemical properties of BiOCl photocatalysts are shown. Furthermore, the possible reaction mechanisms of photocatalytic NO oxidation were also revealed. According to the results of in situ DRIFTS ( Diffused Reflectance Infrared Fourier Transform Spectroscopy), various intermediates were produced during different time intervals of NO photodegradation. The possible pathways are summarized below. First, visible light irradiation induces electron-hole pairs on the surface of OV-BOC (BiOCl with oxygen vacancies). Second, photogenerated electrons form superoxide radical with the contacted oxygen. Then, the NO molecules adsorbed on the surface of OV-BOC are attacked by superoxide radical and form nitrate instead of NO₂ (by-products). Oxygen vacancies greatly improve the photocatalytic oxidation activity of NO and effectively inhibit the production of harmful by-products during the oxidation of NO.

Keywords: OVs-BiOCl nanoplate, oxygen vacancies, NO oxidation, photocatalysis

Procedia PDF Downloads 96
59 First Principle Calculation of The Magnetic Properties of Mn-doped 6H-SiC

Authors: M. Al Azri, M. Elzain, K. Bouziane, S. M. Chérif

Abstract:

The electronic and magnetic properties of 6H-SiC with Mn impurities have been calculated using ab-initio calculations. Various configurations of Mn sites and Si and C vacancies were considered. The magnetic coupling between the two Mn atoms at substitutional and interstitials sites with and without vacancies is studied as a function of Mn atoms interatomic distance. It was found that the magnetic interaction energy decreases with increasing distance between the magnetic atoms. The energy levels appearing in the band gap due to vacancies and due to Mn impurities are determined. The calculated DOS’s are used to analyze the nature of the exchange interaction between the impurities. The band coupling model based on the p-d and d-d level repulsions between Mn and SiC has been used to describe the magnetism observed in each configuration. Furthermore, the impacts of applying U to Mn-d orbital on the magnetic moment have also been investigated. The results are used to understand the experimental data obtained on Mn- 6H-SiC (as-implanted and as –annealed) for various Mn concentration (CMn = 0.7%, 1.6%, 7%).

Keywords: ab-initio calculations, diluted magnetic semiconductors, magnetic properties, silicon carbide

Procedia PDF Downloads 253
58 To Investigate the Effects of Potassium Ion Doping and Oxygen Vacancies in Thin-Film Transistors of Gallium Oxide-Indium Oxide on Their Electrical

Authors: Peihao Huang, Chun Zhao

Abstract:

Thin-film transistors(TFTs) have the advantages of low power consumption, short reaction time, and have high research value in the field of semiconductors, based on this reason, people have focused on gallium oxide-indium oxide thin-film transistors, a relatively common thin-film transistor, elaborated and analyzed his production process, "aqueous solution method", explained the purpose of each step of operation, and finally explored the influence of potassium ions doped in the channel layer on the electrical properties of the device, as well as the effect of oxygen vacancies on its switching ratio and memory, and summarized the conclusions.

Keywords: aqueous solution, oxygen vacancies, switch ratio, thin-film transistor(TFT)

Procedia PDF Downloads 60
57 Vacancy-Driven Magnetism of GdMnO₃

Authors: Matúš Mihalik, Martin Vavra, Kornel Csach, Marián Mihalik

Abstract:

GdMnO₃ belongs to orthorhombically distorted, GdFeO₃-type family of perovskite compounds. These compounds are naturally vacant and the amount of vacancies depend on the sample preparation conditions. Our GdMnO₃ samples were prepared by float zone method and the vacancies were controlled using an air, Ar and O₂ preparation atmosphere. The highest amount of vacancies was found for sample prepared in Ar atmosphere, while the sample prepared in O₂ was observed to be almost vacancy-free. The magnetic measurements indicate that the preparation atmosphere has no impact on Néel temperature (TN ~ 42 K), however, it has strong impact on the incommensurate antiferromagnetic (IC) to canted A-type weak ferromagnetic (AWF) phase transition at T1: T1 = 23.4 K; 18 K and 6.7 K for samples prepared in Ar; air and O₂ atmosphere; respectively. The hysteresis loop measured at 2 K has a butterfly-type shape with the remnant magnetization (Mr) of 0.6 µB/f.u. for Ar and air sample, while Mr = 0.3 µB/f.u. for O₂ sample. The shape of the hysteresis loop depends on the preparation atmosphere in magnetic fields up to 1.5 T, but is independent for higher magnetic fields. The coercive field of less than 0.06 T and the maximum magnetic moment of 6 µB/f.u. at magnetic field µ0H = 7 T do not depend on the preparation atmosphere. All these findings indicate that only AWF phase of GdMnO₃ compound is directly affected by the vacancies in the system, while IC phase and the field induced ferroelectric phase are not affected.

Keywords: magnetism, perovskites, sample preparation, magnetic phase transition

Procedia PDF Downloads 71
56 Effect of Intrinsic Point Defects on the Structural and Optical Properties of SnO₂ Thin Films Grown by Ultrasonic Spray Pyrolysis Method

Authors: Fatiha Besahraoui, M'hamed Guezzoul, Kheira Chebbah, M'hamed Bouslama

Abstract:

SnO₂ thin film is characterized by Atomic Force Microscopy (AFM) and Photoluminescence Spectroscopies. AFM images show a dense surface of columnar grains with a roughness of 78.69 nm. The PL measurements at 7 K reveal the presence of PL peaks centered in IR and visible regions. They are attributed to radiative transitions via oxygen vacancies, Sn interstitials, and dangling bonds. A bands diagram model is presented with the approximate positions of intrinsic point defect levels in SnO₂ thin films. The integrated PL measurements demonstrate the good thermal stability of our sample, which makes it very useful in optoelectronic devices functioning at room temperature. The unusual behavior of the evolution of PL peaks and their full width at half maximum as a function of temperature indicates the thermal sensitivity of the point defects present in the band gap. The shallower energy levels due to dangling bonds and/or oxygen vacancies are more sensitive to the temperature. However, volume defects like Sn interstitials are thermally stable and constitute deep and stable energy levels for excited electrons. Small redshifting of PL peaks is observed with increasing temperature. This behavior is attributed to the reduction of oxygen vacancies.

Keywords: transparent conducting oxide, photoluminescence, intrinsic point defects, semiconductors, oxygen vacancies

Procedia PDF Downloads 47
55 Enhancing Photocatalytic Activity of Oxygen Vacancies-Rich Tungsten Trioxide (WO₃) for Sustainable Energy Conversion and Water Purification

Authors: Satam Alotibi, Osama A. Hussein, Aziz H. Al-Shaibani, Nawaf A. Al-Aqeel, Abdellah Kaiba, Fatehia S. Alhakami, Mohammed Alyami, Talal F. Qahtan

Abstract:

The demand for sustainable and efficient energy conversion using solar energy has grown rapidly in recent years. In this pursuit, solar-to-chemical conversion has emerged as a promising approach, with oxygen vacancies-rich tungsten trioxide (WO₃) playing a crucial role. This study presents a method for synthesizing oxygen vacancies-rich WO3, resulting in a significant enhancement of its photocatalytic activity, representing a significant step towards sustainable energy solutions. Experimental results underscore the importance of oxygen vacancies in modifying the properties of WO₃. These vacancies introduce additional energy states within the material, leading to a reduction in the bandgap, increased light absorption, and acting as electron traps, thereby reducing emissions. Our focus lies in developing oxygen vacancies-rich WO₃, which demonstrates unparalleled potential for improved photocatalytic applications. The effectiveness of oxygen vacancies-rich WO₃ in solar-to-chemical conversion was showcased through rigorous assessments of its photocatalytic degradation performance. Sunlight irradiation was employed to evaluate the material's effectiveness in degrading organic pollutants in wastewater. The results unequivocally demonstrate the superior photocatalytic performance of oxygen vacancies-rich WO₃ compared to conventional WO₃ nanomaterials, establishing its efficacy in sustainable and efficient energy conversion. Furthermore, the synthesized material is utilized to fabricate films, which are subsequently employed in immobilized WO₃ and oxygen vacancies-rich WO₃ reactors for water purification under natural sunlight irradiation. This application offers a sustainable and efficient solution for water treatment, harnessing solar energy for effective decontamination. In addition to investigating the photocatalytic capabilities, we extensively analyze the structural and chemical properties of the synthesized material. The synthesis process involves in situ thermal reduction of WO₃ nano-powder in a nitrogen environment, meticulously monitored using thermogravimetric analysis (TGA) to ensure precise control over the synthesis of oxygen vacancies-rich WO₃. Comprehensive characterization techniques such as UV-Vis spectroscopy, X-ray photoelectron spectroscopy (XPS), FTIR, Raman spectroscopy, scanning electron microscopy (SEM), transmission electron microscopy (TEM), and selected area electron diffraction (SAED) provide deep insights into the material's optical properties, chemical composition, elemental states, structure, surface properties, and crystalline structure. This study represents a significant advancement in sustainable energy conversion through solar-to-chemical processes and water purification. By harnessing the unique properties of oxygen vacancies-rich WO₃, we not only enhance our understanding of energy conversion mechanisms but also pave the way for the development of highly efficient and environmentally friendly photocatalytic materials. The application of this material in water purification demonstrates its versatility and potential to address critical environmental challenges. These findings bring us closer to a sustainable energy future and cleaner water resources, laying a solid foundation for a more sustainable planet.

Keywords: sustainable energy conversion, solar-to-chemical conversion, oxygen vacancies-rich tungsten trioxide (WO₃), photocatalytic activity enhancement, water purification

Procedia PDF Downloads 32
54 Ab-Initio Study of Native Defects in SnO Under Strain

Authors: A. Albar, D. B. Granato, U. Schwingenschlogl

Abstract:

Tin monoxide (SnO) has promising properties to be applied as a p-type semiconductor in transparent electronics. To this end, it is necessary to understand the behavior of defects in order to control them. We use density functional theory to study native defects of SnO under tensile and compressive strain. We show that Sn vacancies are more stable under tension and less stable under compression, irrespectively of the charge state. In contrast, O vacancies behave differently for different charge. It turns out that the most stable defect under compression is the +1 charged O vacancy in a Sn-rich environment and the charge neutral O interstitial in an O-rich environment. Therefore, compression can be used to transform SnO from an n-type into un-doped semiconductor.

Keywords: native defects, ab-initio, point defect, tension, compression, semiconductor

Procedia PDF Downloads 353
53 Defect Profile Simulation of Oxygen Implantation into Si and GaAs

Authors: N. Dahbi, R. B. Taleb

Abstract:

This study concerns the ion implantation of oxygen in two semiconductors Si and GaAs realized by a simulation using the SRIM tool. The goal of this study is to compare the effect of implantation energy on the distribution of implant ions in the two targets and to examine the different processes resulting from the interaction between the ions of oxygen and the target atoms (Si, GaAs). SRIM simulation results indicate that the implanted ions have a profile as a function of Gaussian-type; oxygen produced more vacancies and implanted deeper in Si compared to GaAs. Also, most of the energy loss is due to ionization and phonon production, where vacancy production amounts to few percent of the total energy.

Keywords: defect profile, GaAs, ion implantation, SRIM, phonon production, vacancies

Procedia PDF Downloads 133
52 Surface Defect-engineered Ceo₂−x by Ultrasound Treatment for Superior Photocatalytic H₂ Production and Water Treatment

Authors: Nabil Al-Zaqri

Abstract:

Semiconductor photocatalysts with surface defects display incredible light absorption bandwidth, and these defects function as highly active sites for oxidation processes by interacting with the surface band structure. Accordingly, engineering the photocatalyst with surface oxygen vacancies will enhance the semiconductor nanostructure's photocatalytic efficiency. Herein, a CeO2₋ₓ nanostructure is designed under the influence of low-frequency ultrasonic waves to create surface oxygen vacancies. This approach enhances the photocatalytic efficiency compared to many heterostructures while keeping the intrinsiccrystal structure intact. Ultrasonic waves induce the acoustic cavitation effect leading to the dissemination of active elements on the surface, which results in vacancy formation in conjunction with larger surface area and smaller particle size. The structural analysis of CeO₂₋ₓ revealed higher crystallinity, as well as morphological optimization, and the presence of oxygen vacancies is verified through Raman, X-rayphotoelectron spectroscopy, temperature-programmed reduction, photoluminescence, and electron spinresonance analyses. Oxygen vacancies accelerate the redox cycle between Ce₄+ and Ce₃+ by prolongingphotogenerated charge recombination. The ultrasound-treated pristine CeO₂ sample achieved excellenthydrogen production showing a quantum efficiency of 1.125% and efficient organic degradation. Ourpromising findings demonstrated that ultrasonic treatment causes the formation of surface oxygenvacancies and improves photocatalytic hydrogen evolution and pollution degradation. Conclusion: Defect engineering of the ceria nanoparticles with oxygen vacancies was achieved for the first time using low-frequency ultrasound treatment. The U-CeO₂₋ₓsample showed high crystallinity, and morphological changes were observed. Due to the acoustic cavitation effect, a larger surface area and small particle size were observed. The ultrasound treatment causes particle aggregation and surface defects leading to oxygen vacancy formation. The XPS, Raman spectroscopy, PL spectroscopy, and ESR results confirm the presence of oxygen vacancies. The ultrasound-treated sample was also examined for pollutant degradation, where 1O₂was found to be the major active species. Hence, the ultrasound treatment influences efficient photocatalysts for superior hydrogen evolution and an excellent photocatalytic degradation of contaminants. The prepared nanostructure showed excellent stability and recyclability. This work could pave the way for a unique post-synthesis strategy intended for efficient photocatalytic nanostructures.

Keywords: surface defect, CeO₂₋ₓ, photocatalytic, water treatment, H₂ production

Procedia PDF Downloads 108
51 Effect of Gamma Irradiation on Structural and Optical Properties of ZnO/Mesoporous Silica Nanocomposite

Authors: K. Sowri Babu, P. Srinath, N. Rajeswara Rao, K. Venugopal Reddy

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The effect of gamma ray irradiation on morphology and optical properties of ZnO/Mesoporous silica (MPS) nanocomposite was studied. The ZnO/MPS nanocomposite was irradiated with gamma rays of doses 30, 60, and 90 kGy and dose-rate of irradiation was 0.15 kGy/hour. Irradiated samples are characterized with FE-SEM, FT-IR, UV-vis, and Photoluminescence (PL) spectrometers. SEM pictures showed that morphology changed from spherical to flake like morphology. UV-vis analysis showed that the band gap increased with increase of gamma ray irradiation dose. This enhancement of the band gap is assigned to the depletion of oxygen vacancies with irradiation. The intensity of PL peak decreased gradually with increase of gamma ray irradiation dose. The decrease in PL intensity is attributed to the decrease of oxygen vacancies at the interface due to poor interface and improper passivation between ZnO/MPS.

Keywords: ZnO nanoparticles, nanocomposites, mesoporous silica, photoluminescence

Procedia PDF Downloads 196
50 Moderation in Temperature Dependence on Counter Frictional Coefficient and Prevention of Wear of C/C Composites by Synthesizing SiC around Surface and Internal Vacancies

Authors: Noboru Wakamoto, Kiyotaka Obunai, Kazuya Okubo, Toru Fujii

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The aim of this study is to moderate the dependence of counter frictional coefficient on temperature between counter surfaces and to reduce the wear of C/C composites at low temperature. To modify the C/C composites, Silica (SiO2) powders were added into phenolic resin for carbon precursor. The preform plate of the precursor of C/C composites was prepared by conventional filament winding method. The C/C composites plates were obtained by carbonizing preform plate at 2200 °C under an argon atmosphere. At that time, the silicon carbides (SiC) were synthesized around the surfaces and the internal vacancies of the C/C composites. The frictional coefficient on the counter surfaces and specific wear volumes of the C/C composites were measured by our developed frictional test machine like pin-on disk type. The XRD indicated that SiC was synthesized in the body of C/C composite fabricated by current method. The results of friction test showed that coefficient of friction of unmodified C/C composites have temperature dependence when the test condition was changed. In contrast, frictional coefficient of the C/C composite modified with SiO2 powders was almost constant at about 0.27 when the temperature condition was changed from Room Temperature (RT) to 300 °C. The specific wear rate decreased from 25×10-6 mm2/N to 0.1×10-6 mm2/N. The observations of the surfaces after friction tests showed that the frictional surface of the modified C/C composites was covered with a film produced by the friction. This study found that synthesizing SiC around surface and internal vacancies of C/C composites was effective to moderate the dependence on the frictional coefficient and reduce to the abrasion of C/C composites.

Keywords: C/C composites, friction coefficient, wear, SiC

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49 Native Point Defects in ZnO

Authors: A. M. Gsiea, J. P. Goss, P. R. Briddon, Ramadan. M. Al-habashi, K. M. Etmimi, Khaled. A. S. Marghani

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Using first-principles methods based on density functional theory and pseudopotentials, we have performed a details study of native defects in ZnO. Native point defects are unlikely to be cause of the unintentional n-type conductivity. Oxygen vacancies, which considered most often been invoked as shallow donors, have high formation energies in n-type ZnO, in edition are a deep donors. Zinc interstitials are shallow donors, with high formation energies in n-type ZnO, and thus unlikely to be responsible on their own for unintentional n-type conductivity under equilibrium conditions, as well as Zn antisites which have higher formation energies than zinc interstitials. Zinc vacancies are deep acceptors with low formation energies for n-type and in which case they will not play role in p-type coductivity of ZnO. Oxygen interstitials are stable in the form of electrically inactive split interstitials as well as deep acceptors at the octahedral interstitial site under n-type conditions. Our results may provide a guide to experimental studies of point defects in ZnO.

Keywords: DFT, native, n-type, ZnO

Procedia PDF Downloads 555
48 Thermal Stability of Hydrogen in ZnO Bulk and Thin Films: A Kinetic Monte Carlo Study

Authors: M. A. Lahmer, K. Guergouri

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In this work, Kinetic Monte Carlo (KMC) method was applied to study the thermal stability of hydrogen in ZnO bulk and thin films. Our simulation includes different possible events such as interstitial hydrogen (Hi) jumps, substitutional hydrogen (HO) formation and dissociation, oxygen and zinc vacancies jumps, hydrogen-VZn complexes formation and dissociation, HO-Hi complex formation and hydrogen molecule (H2) formation and dissociation. The obtained results show that the hidden hydrogen formed during thermal annealing or at room temperature is constituted of both hydrogen molecule and substitutional hydrogen. The ratio of this constituants depends on the initial defects concentration as well as the annealing temperature. For annealing temperature below 300°C hidden hydrogen was found to be constituted from both substitutional hydrogen and hydrogen molecule, however, for higher temperature it is composed essentially from HO defects only because H2 was found to be unstable. In the other side, our results show that the remaining hydrogen amount in sample during thermal annealing depend greatly on the oxygen vacancies in the material. H2 molecule was found to be stable for thermal annealing up to 200°C, VZnHn complexes are stable up to 350°C and HO was found to be stable up to 450°C.

Keywords: ZnO, hydrogen, thermal annealing, kinetic Monte Carlo

Procedia PDF Downloads 299
47 Multifunctional 1D α-Fe2O3/ZnO Core/Shell Semiconductor Nano-Heterostructures: Heterojunction Engineering

Authors: Gobinda Gopal Khan, Ashutosh K. Singh, Debasish Sarkar

Abstract:

This study reports the facile fabrication of 1D ZnO/α-Fe2O3 semiconductor nano-heterostructures (SNHs), and we investigate the strong interfacial interactions at the heterojunction, resulting in novel multifunctionality in the hybrid structure. ZnO-coated α-Fe2O3 nanowires (NWs) have been prepared by combining electrodeposition and wet chemical methods. Significant improvement in electrical conductivity, photoluminescence, and room temperature magnetic properties have been observed for the ZnO/α-Fe2O3 SNHs over the pristine α-Fe2O3 NWs because of the contribution of the ZnO nanolayer. The increase in electrical conductivity in ZnO/α-Fe2O3 SNHs is because of the increase in free electrons in the conduction band of the SNHs due to the formation of type-II n-n band configuration at the heterojunction. The SNHs are found to exhibit enhanced visible green photoluminescence along with the UV emission at room temperature. The band-gap emission of the α-Fe2O3 NWs coupled to the defect emissions of the ZnO in SNHs can be attributed to the profound enhancement of the visible green luminescence. Ferromagnetism of the SNHs is found to be increased nearly five times in magnitude over the primeval α-Fe2O3 NWs, which can be ascribed to the exchange coupling of the interfacial spin at ZnO/α-Fe2O3 interface, the surface spin of ZnO nanolayer, along with the structural defects like the cation vacancies (VZn) and the singly ionized oxygen vacancies (Vo•) present in SNHs.

Keywords: nano-heterostructures, photoluminescence, electrical property, magnetism

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46 Incorporation of Copper for Performance Enhancement in Metal-Oxides Resistive Switching Device and Its Potential Electronic Application

Authors: B. Pavan Kumar Reddy, P. Michael Preetam Raj, Souri Banerjee, Souvik Kundu

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In this work, the fabrication and characterization of copper-doped zinc oxide (Cu:ZnO) based memristor devices with aluminum (Al) and indium tin oxide (ITO) metal electrodes are reported. The thin films of Cu:ZnO was synthesized using low-cost and low-temperature chemical process. The Cu:ZnO was then deposited onto ITO bottom electrodes using spin-coater technique, whereas the top electrode Al was deposited utilizing physical vapor evaporation technique. Ellipsometer was employed in order to measure the Cu:ZnO thickness and it was found to be 50 nm. Several surface and materials characterization techniques were used to study the thin-film properties of Cu:ZnO. To ascertain the efficacy of Cu:ZnO for memristor applications, electrical characterizations such as current-voltage (I-V), data retention and endurance were obtained, all being the critical parameters for next-generation memory. The I-V characteristic exhibits switching behavior with asymmetrical hysteresis loops. This work imputes the resistance switching to the positional drift of oxygen vacancies associated with respect to the Al/Cu:ZnO junction. Further, a non-linear curve fitting regression techniques were utilized to determine the equivalent circuit for the fabricated Cu:ZnO memristors. Efforts were also devoted in order to establish its potentiality for different electronic applications.

Keywords: copper doped, metal-oxides, oxygen vacancies, resistive switching

Procedia PDF Downloads 137
45 Various Shaped ZnO and ZnO/Graphene Oxide Nanocomposites and Their Use in Water Splitting Reaction

Authors: Sundaram Chandrasekaran, Seung Hyun Hur

Abstract:

Exploring strategies for oxygen vacancy engineering under mild conditions and understanding the relationship between dislocations and photoelectrochemical (PEC) cell performance are challenging issues for designing high performance PEC devices. Therefore, it is very important to understand that how the oxygen vacancies (VO) or other defect states affect the performance of the photocatalyst in photoelectric transfer. So far, it has been found that defects in nano or micro crystals can have two possible significances on the PEC performance. Firstly, an electron-hole pair produced at the interface of photoelectrode and electrolyte can recombine at the defect centers under illumination of light, thereby reducing the PEC performances. On the other hand, the defects could lead to a higher light absorption in the longer wavelength region and may act as energy centers for the water splitting reaction that can improve the PEC performances. Even if the dislocation growth of ZnO has been verified by the full density functional theory (DFT) calculations and local density approximation calculations (LDA), it requires further studies to correlate the structures of ZnO and PEC performances. Exploring the hybrid structures composed of graphene oxide (GO) and ZnO nanostructures offer not only the vision of how the complex structure form from a simple starting materials but also the tools to improve PEC performances by understanding the underlying mechanisms of mutual interactions. As there are few studies for the ZnO growth with other materials and the growth mechanism in those cases has not been clearly explored yet, it is very important to understand the fundamental growth process of nanomaterials with the specific materials, so that rational and controllable syntheses of efficient ZnO-based hybrid materials can be designed to prepare nanostructures that can exhibit significant PEC performances. Herein, we fabricated various ZnO nanostructures such as hollow sphere, bucky bowl, nanorod and triangle, investigated their pH dependent growth mechanism, and correlated the PEC performances with them. Especially, the origin of well-controlled dislocation-driven growth and its transformation mechanism of ZnO nanorods to triangles on the GO surface were discussed in detail. Surprisingly, the addition of GO during the synthesis process not only tunes the morphology of ZnO nanocrystals and also creates more oxygen vacancies (oxygen defects) in the lattice of ZnO, which obviously suggest that the oxygen vacancies be created by the redox reaction between GO and ZnO in which the surface oxygen is extracted from the surface of ZnO by the functional groups of GO. On the basis of our experimental and theoretical analysis, the detailed mechanism for the formation of specific structural shapes and oxygen vacancies via dislocation, and its impact in PEC performances are explored. In water splitting performance, the maximum photocurrent density of GO-ZnO triangles was 1.517mA/cm-2 (under UV light ~ 360 nm) vs. RHE with high incident photon to current conversion Efficiency (IPCE) of 10.41%, which is the highest among all samples fabricated in this study and also one of the highest IPCE reported so far obtained from GO-ZnO triangular shaped photocatalyst.

Keywords: dislocation driven growth, zinc oxide, graphene oxide, water splitting

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44 The Microstructure of Aging ZnO, AZO, and GZO Films

Authors: Zue Chin Chang, Shih-Chang Liang

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RF magnetron sputtering is used on the ceramic targets, each of which contains zinc oxide (ZnO), zinc oxide doped with aluminum (AZO) and zinc oxide doped with gallium (GZO). The electric conduction mechanism of the AZO and GZO films came mainly from the Al and Ga, the oxygen vacancies, Zn interstitial atoms, and Al and/or Ga interstitial atoms. AZO and GZO films achieved higher conduction than did ZnO film, it being ion vacant and nonstoichiometric. The XRD analysis showed a preferred orientation along the (002) plane for ZnO, AZO, and GZO films.

Keywords: ZnO, AZO, GZO, doped, sputtering

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43 Characterization of the Music Admission Requirements and Evaluation of the Relationship among Motivation and Performance Achievement

Authors: Antonio M. Oliveira, Patricia Oliveira-Silva, Jose Matias Alves, Gary McPherson

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The music teaching is oriented towards offering formal music training. Due to its specificities, this vocational program starts at a very young age. Although provided by the State, the offer is limited to 6 schools throughout the country, which means that the vacancies for prospective students are very limited every year. It is therefore crucial that these vacancies be taken by especially motivated children grown within households that offer the ideal setting for success. Some of the instruments used to evaluate musical performance are highly sensitive to specific previous training, what represents a severe validity problem for testing children who have had restricted opportunities for formal training. Moreover, these practices may be unfair because, for instance, they may not reflect the candidates’ music aptitudes. Based on what constitutes a prerequisite for making an excellent music student, researchers in this field have long argued that motivation, task commitment, and parents’ support are as important as ability. Thus, the aim of this study is: (1) to prepare an inventory of admission requirements in Australia, Portugal and Ireland; (2) to examine whether the candidates to music conservatories and parents’ level of motivation, assessed at three evaluation points (i.e., admission, at the end of the first year, and at the end of the second year), correlates positively with the candidates’ progress in learning a musical instrument (i.e., whether motivation at the admission may predict student musicianship); (3) an adaptation of an existing instrument to assess the motivation (i.e., to adapt the items to the music setting, focusing on the motivation for playing a musical instrument). The inclusion criteria are: only children registered in the administrative services to be evaluated for entrance to the conservatory will be accepted for this study. The expected number of participants is fifty (5-6 years old) in all the three frequency schemes: integrated, articulated and supplementary. Revisiting musical admission procedures is of particular importance and relevance to musical education because this debate may bring guidance and assistance about the needed improvement to make the process of admission fairer and more transparent.

Keywords: music learning, music admission requirements, student’s motivation, parent’s motivation

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42 The Neglected Elements of Implementing Strategic Succession Management in Public Organizations

Authors: François Chiocchio, Mahshid Gharibpour

Abstract:

Regardless of the extent to which succession management is implemented in the private sector, it is still overlooked in the public sector. Traditional succession management is evolving providing a better alignment between business strategies and HR strategies. Succession management brings sustainable effectiveness for succession programs through career path development, knowledge and skill transfer, job retention, as well as high-potential candidates’ empowerment for upcoming vacancies. By way of a systematic literature review, we bring into focus strategic succession management in public organizations and discuss best ways of implementation. 

Keywords: succession management, strategic succession management, public organization, succession management model

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41 Mechanical Properties of Ternary Metal Nitride Ti1-xTaxN Alloys from First-Principles

Authors: M. Benhamida, Kh. Bouamama, P. Djemia

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We investigate by first-principles pseudo-potential calculations the composition dependence of lattice parameter, hardness and elastic properties of ternary disordered solid solutions Ti(1-x)Ta(x)N (1>=x>=0) with B1-rocksalt structure. Calculations use the coherent potential approximation with the exact muffin-tin orbitals (EMTO) and hardness formula for multicomponent covalent solid solution proposed. Bulk modulus B shows a nearly linear behaviour whereas not C44 and C’=(C11-C12)/2 that are not monotonous. Influences of vacancies on hardness of off-stoichiometric transition-metal nitrides TiN(1−x) and TaN(1−x) are also considered.

Keywords: transition metal nitride materials, elastic constants, hardness, EMTO

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40 Effects of Position and Shape of Atomic Defects on the Band Gap of Graphene Nano-Ribbon Superlattices

Authors: Zeinab Jokar, Mohammad Reza Moslemi

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In this work, we study the behavior of introducing atomic size vacancy in a graphene nanoribbon superlattice. Our investigations are based on the density functional theory (DFT) with the Local Density Approximation in Atomistix Toolkit (ATK). We show that, in addition to its shape, the position of vacancy has a major impact on the electrical properties of a graphene nanoribbon superlattice. We show that the band gap of an armchair graphene nanoribbon may be tuned by introducing an appropriate periodic pattern of vacancies. The band gap changes in a zig-zag manner similar to the variation of the band gap of a graphene nanoribbon by changing its width.

Keywords: AGNR, antidot, atomistic toolKit, vacancy

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39 A Comparison between TM: TM Co Doped and TM: RE Co Doped ZnO Based Advanced Materials for Spintronics Applications; Structural, Optical and Magnetic Property Analysis

Authors: V. V. Srinivasu, Jayashree Das

Abstract:

Owing to the industrial and technological importance, transition metal (TM) doped ZnO has been widely chosen for many practical applications in electronics and optoelectronics. Besides, though still a controversial issue, the reported room temperature ferromagnetism in transition metal doped ZnO has added a feather to its excellence and importance in current semiconductor research for prospective application in Spintronics. Anticipating non controversial and improved optical and magnetic properties, we adopted co doping method to synthesise polycrystalline Mn:TM (Fe,Ni) and Mn:RE(Gd,Sm) co doped ZnO samples by solid state sintering route with compositions Zn1-x (Mn:Fe/Ni)xO and Zn1-x(Mn:Gd/Sm)xO and sintered at two different temperatures. The structure, composition and optical changes induced in ZnO due to co doping and sintering were investigated by XRD, FTIR, UV, PL and ESR studies. X-ray peak profile analysis (XPPA) and Williamson-Hall analysis carried out shows changes in the values of stress, strain, FWHM and the crystallite size in both the co doped systems. FTIR spectra also show the effect of both type of co doping on the stretching and bending bonds of ZnO compound. UV-Vis study demonstrates changes in the absorption band edge as well as the significant change in the optical band gap due to exchange interactions inside the system after co doping. PL studies reveal effect of co doping on UV and visible emission bands in the co doped systems at two different sintering temperatures, indicating the existence of defects in the form of oxygen vacancies. While the TM: TM co doped samples of ZnO exhibit ferromagnetism at room temperature, the TM: RE co doped samples show paramagnetic behaviour. The magnetic behaviours observed are supported by results from Electron Spin resonance (ESR) study; which shows sharp resonance peaks with considerable line width (∆H) and g values more than 2. Such values are usually found due to the presence of an internal field inside the system giving rise to the shift of resonance field towards the lower field. The g values in this range are assigned to the unpaired electrons trapped in oxygen vacancies. TM: TM co doped ZnO samples exhibit low field absorption peaks in their ESR spectra, which is a new interesting observation. We emphasize that the interesting observations reported in this paper may be considered for the improved futuristic applications of ZnO based materials.

Keywords: co-doping, electro spin resonance, microwave absorption, spintronics

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38 Research of the Activation Energy of Conductivity in P-I-N SiC Structures Fabricated by Doping with Aluminum Using the Low-Temperature Diffusion Method

Authors: Ilkham Gafurovich Atabaev, Khimmatali Nomozovich Juraev

Abstract:

The activation energy of conductivity in p-i-n SiC structures fabricated by doping with Aluminum using the new low-temperature diffusion method is investigated. In this method, diffusion is stimulated by the flux of carbon and silicon vacancies created by surface oxidation. The activation energy of conductivity in the p - layer is 0.25 eV and it is close to the ionization energy of Aluminum in 4H-SiC from 0.21 to 0.27 eV for the hexagonal and cubic positions of aluminum in the silicon sublattice for weakly doped crystals. The conductivity of the i-layer (measured in the reverse biased diode) shows 2 activation energies: 0.02 eV and 0.62 eV. Apparently, the 0.62 eV level is a deep trap level and it is a complex of Aluminum with a vacancy. According to the published data, an analogous level system (with activation energies of 0.05, 0.07, 0.09 and 0.67 eV) was observed in the ion Aluminum doped 4H-SiC samples.

Keywords: activation energy, aluminum, low temperature diffusion, SiC

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37 Theoretical Approach to Kinetics of Transient Plasticity of Metals under Irradiation

Authors: Pavlo Selyshchev, Tetiana Didenko

Abstract:

Within the framework of the obstacle radiation hardening and the dislocation climb-glide model a theoretical approach is developed to describe peculiarities of transient plasticity of metal under irradiation. It is considered nonlinear dynamics of accumulation of point defects (vacancies and interstitial atoms). We consider metal under such stress and conditions of irradiation at which creep is determined by dislocation motion: dislocations climb obstacles and glide between obstacles. It is shown that the rivalry between vacancy and interstitial fluxes to dislocation leads to fractures of plasticity time dependence. Simulation and analysis of this phenomenon are performed. Qualitatively different regimes of transient plasticity under irradiation are found. The fracture time is obtained. The theoretical results are compared with the experimental ones.

Keywords: climb and glide of dislocations, fractures of transient plasticity, irradiation, non-linear feed-back, point defects

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36 Scope of Samarium Content on Microstructural and Structural Properties of Potassium-Sodium Niobate (KNN) Based Ceramics

Authors: Geraldine Giraldo

Abstract:

In the research of advanced materials, ceramics based on KNN are an important topic, especially for multifunctional applications. In this work, the physical, structural, and microstructural properties of the (KNN-CaLi-xSm) system were analyzed by varying the concentration of samarium, which was prepared using the conventional solid-state reaction method by mixing oxides. It was found that the increase in Sm+3 concentration led to higher porosity in the sample and, consequently, a decrease in density, which is attributed to the structural vacancies at the A-sites of the perovskite-type structure of the ceramic system. In the structural analysis, a coexistence of Tetragonal (T) and Orthorhombic (O) phases were observed at different rare-earth ion contents, with a higher content of the T phase at xSm=0.010. Furthermore, the structural changes in the calcined powders at different temperatures were studied using the results of DTA-TG, which allowed for the analysis of the system's composition. It was found that the lowest total decomposition temperature occurred when xSm=0.010 at 770°C.

Keywords: perovskite, piezoelectric, multifunctional, Structure, ceramic

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35 Copper Doping for Enhancing Photocatalytic Efficiency of Barium Ferrite in Degradation of Atrazine under Visible Light

Authors: Tarek S. Jamil, H. A. Abbas, Rabab A. Nasr, Eman S. Mansor, Rose-Noëlle Vannier

Abstract:

The citrate manner (Pechini method) was utilized in elaboration of a novel Nano-sized BaFe(1-x)CuxO3 (x=0.01, 0.05 and 0.10). The prepared photocatalysts were characterized by x-ray diffraction, diffuse reflectance, TEM and the surface area. The prepared samples have a mixture of cubic perovskite structure (main) and orthorhombic phases. The effect of different loads of copper as dopant on the structural properties as well as the photocatalytic activity was demonstrated. The lattice parameter and the unit cell volume of the prepared materials are given. Doping with copper increased the photocatalytic activity of BaFeO3 several times in abstraction of hazardous atrazine that causes acute problems in drinking water treatment facilities. This may be reasoned to low band gap energy of copper doped BaFe(1-x)CuxO3 attributed to oxygen vacancies formation.

Keywords: photocatalysis, nano-sized, BaFeO3, copper doping, atrazine

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34 Programs in Nigerian Higher Institutions and Graduates Unemployment

Authors: Evuarherhe Veronica Abolo

Abstract:

The study investigated the programs in Nigerian higher institutions and how they influence unemployment of graduates in the country. The study employed the survey design. The population of the study includes two universities, two polytechnics and two colleges of education in Lagos State. A total of 350 participants, which include graduates and students were sampled for the study. A structured interview schedule and direct observation were used to collect data on the three research questions drawn for the study. The data were analyzed using rating of the structured interview in tables and percentages. The results of the study revealed that Nigerian graduates are not only unemployed but can hardly meet the requirements of available job vacancies due to the stereotype nature in scope, content and methods of the programs in the institutions. Recommendations such as collaboration of companies (end- users) and institutions in the training of students, restructuring of the content and methodology of programs and providing soft loans and other facilities to the young graduates were proffered to reduce the rate of graduates’ unemployment in Nigeria.

Keywords: higher institution, graduate unemployment, soft loan, unemployment

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33 A TiO₂-Based Memristor Reliable for Neuromorphic Computing

Authors: X. S. Wu, H. Jia, P. H. Qian, Z. Zhang, H. L. Cai, F. M. Zhang

Abstract:

A bipolar resistance switching behaviour is detected for a Ti/TiO2-x/Au memristor device, which is fabricated by a masked designed magnetic sputtering. The current dependence of voltage indicates the curve changes slowly and continuously. When voltage pulses are applied to the device, the set and reset processes maintains linearity, which is used to simulate the synapses. We argue that the conduction mechanism of the device is from the oxygen vacancy channel model, and the resistance of the device change slowly due to the reaction between the titanium electrode and the intermediate layer and the existence of a large number of oxygen vacancies in the intermediate layer. Then, Hopfield neural network is constructed to simulate the behaviour of neural network in image processing, and the accuracy rate is more than 98%. This shows that titanium dioxide memristor has a broad application prospect in high performance neural network simulation.

Keywords: memristor fabrication, neuromorphic computing, bionic synaptic application, TiO₂-based

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32 Structural and Magnetic Properties of Mn-Doped 6H-SiC

Authors: M. Al Azri, M. Elzain, K. Bouziane, S. M. Chérif

Abstract:

n-Type 6H-SiC(0001) substrates were implanted with three fluencies of Mn+ 5x1015 Mn/cm2 (Mn content: 0.7%), 1x1016 (~2 %), and 5x1016 cm–2 (7%) with implantation energy of 80 keV and substrate temperature of 365ºC. The samples were characterized using Rutherford Backscattering and Channeling Spectroscopy (RBS/C), High-Resolution X-Ray Diffraction technique (HRXRD), micro-Raman Spectroscopy (μRS), and Superconducting Quantum Interference Device (SQUID) techniques. The aim of our work is to investigate implantation induced defects with dose and to study any correlation between disorder-composition and magnetic properties. In addition, ab-initio calculations were used to investigate the structural and magnetic properties of Mn-doped 6H-SiC. Various configurations of Mn sites and vacancy types were considered. The calculations showed that a substitutional Mn atom at Si site possesses larger magnetic moment than Mn atom at C site. A model is introduced to explain the dependence of the magnetic structure on site occupation. The magnetic properties of ferromagnetically (FM) and antiferromagnetically (AFM) coupled pairs of Mn atoms with and without neighboring vacancies have also been explored.

Keywords: ab-initio calculations, diluted magnetic semiconductors, magnetic properties, silicon carbide

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