Materials Analysis Using Diffraction Research Articles

Synthesis and Characterization of Lithium-doped BaTiO3/Si(100) Thin Films with Variations of 0 %, 0.5 %, 1 % and 1.5 % as Potential Forerunners of Solar Cells

Thin films of BaTiO3/Si(100) in Lithium with doping variations of 0%, 0.5%, 1%, and 1.5% were successfully grown on a p-type Si substrate using Chemical Solution Deposition method. The films were annealed at 850 °C for 15 hours. The crystal structure was characterized using X-Ray Diffraction (XRD) with Material Analysis Using Diffraction (MAUD), Scanning Electron Microscope- Energy Dispersive X-Ray (SEM-EDX), optical absorption, and current – voltage (I-V) as potential solar cells. The results showed that the addition of Lithium doping affected the value of the lattice parameters and formed tetragonal crystals. The characterization results show that the bandgap energy value of the thin film due to lithium doping reduces the bandgap energy value because the donor atom added to a semiconductor causes the allowable energy level to be slightly below the conduction band. The presence of this new band causes the thin film bandgap energy to decrease with a five-valent tantalum dip. The morphological properties showed that the BaTiO3/Si(100) thin film particles in the deposited Lithium had a reasonably homogeneous grain. With the addition of lithium acetate as a binder into barium titanate, the grain size is getting smaller because it is suspected that the lithium-ion radius is smaller than the barium-ion radius. Measurement of I-V on the thin film shows that the output voltage value increases with more light intensity hitting the surface of the thin film. The greater the light intensity, the greater the energy of the photons, so the electrons are easier to jump. The three things above (both electrical and morphological properties) conclude that the thin films grown have the potential for solar cells.

Conductive nano-Al/polyaniline composites prepared via mechanical milling

The conductive nano-Al/polyaniline composites were prepared by the milling method in the solid state. Here, aluminum nanostructures were prepared in two different mechanical methods, wire drawing and wire milling in the presence of lubricant oil. The effects of the preparation methods on the structures and morphologies of aluminum nanostructures were investigated by XRD and FESEM. The results show that the shape and size of aluminum nanoparticles in the preparation by the wire drawing method are significantly different than the wire milling method. The aluminum nanostructures were prepared by milling method have flake-like nanosheets while the wire drawing method leads to the formation of spherical ultrafine nanoparticles, which particles size are in the range of 30–60 nm. Then, polyaniline was produced using a solid-state polymerization process by the chemical reaction between aniline hydrochloride and potassium peroxydisulfate. Finally, nano-Al/polyaniline composites were prepared by mechanical milling at room temperature. The quantitative analysis was carried out with the materials analysis using diffraction (MAUD) method and weight fraction for aluminum and PANI were calculated 6.66% and 93.34%, respectively. Electrical conductivity measurements show the conductivity (1.2 × 10−2 S cm−1 at 25 °C) for polyaniline emeraldine salt and (1.02 × 10−3 S cm−1 at 25 °C) in nanocomposite respectively. The results show that by adding aluminum nanoparticles to the polymer the conductivity of nanocomposite (Al/PANI-ES) is lower than that for pure (PANI-ES). Thermogravimetry and differential thermal analysis curves show pure (PANI-ES) and nanocomposite (Al/PANI-ES) have a similar thermal degradation process. The total weight loss in TG curve of pure PANI-ES, in the temperature range 45–800 °C is 46.28% but, total weight loss observed in nanocomposite is 38.67%. Therefore, nanocomposite has higher thermal stability than that of the pure PANI-ES.

Microstructural Parameters of Cold‐Rolled and Annealed Fe–24Mn–3Al–1Ni–2Si–0.06C Steel Obtained by X‐Ray Diffraction

Twinning‐induced plasticity steel is characterized by the presence of twins and austenite at room temperature. In this work, Fe–24Mn–3Al–1Ni–2Si–0.06C steel is cold‐rolled at 30, 50, and 80% thickness reduction and subsequently annealed at temperatures between 300 and 1100 °C for 15 min. The microstructure and hardness are analyzed, and dislocation density, stacking fault, and twin probability are calculated using the diffraction method based on the intensity of X‐rays generated in a synchrotron facility. The Rietveld analysis using Materials Analysis Using Diffraction (MAUD) software is performed, and Popa Model is employed. Cold rolling increases hardness due to the formation of deformation twins, stacking fault, and dislocation in different degrees depending on the thickness reduction. During annealing, recrystallization influences the parameters obtained by X‐Ray diffraction such as stacking fault probability and dislocation density.

MILK: a Python scripting interface to MAUD for automation of Rietveld analysis.

Modern diffraction experiments (e.g. in situ parametric studies) present scientists with many diffraction patterns to analyze. Interactive analyses via graphical user interfaces tend to slow down obtaining quantitative results such as lattice parameters and phase fractions. Furthermore, Rietveld refinement strategies (i.e. the parameter turn-on-off sequences) tend to be instrument specific or even specific to a given dataset, such that selection of strategies can become a bottleneck for efficient data analysis. Managing multi-histogram datasets such as from multi-bank neutron diffractometers or caked 2D synchrotron data presents additional challenges due to the large number of histogram-specific parameters. To overcome these challenges in the Rietveld software Material Analysis Using Diffraction (MAUD), the MAUD Interface Language Kit (MILK) is developed along with an updated text batch interface for MAUD. The open-source software MILK is computer-platform independent and is packaged as a Python library that interfaces with MAUD. Using MILK, model selection (e.g. various texture or peak-broadening models), Rietveld parameter manipulation and distributed parallel batch computing can be performed through a high-level Python interface. A high-level interface enables analysis workflows to be easily programmed, shared and applied to large datasets, and external tools to be integrated with MAUD. Through modification to the MAUD batch interface, plot and data exports have been improved. The resulting hierarchical folders from Rietveld refinements with MILK are compatible with Cinema: Debye-Scherrer, a tool for visualizing and inspecting the results of multi-parameter analyses of large quantities of diffraction data. In this manuscript, the combined Python scripting and visualization capability of MILK is demonstrated with a quantitative texture and phase analysis of data collected at the HIPPO neutron diffractometer.

Rietveld Refinement Analysis of Lampung Natural Zeolite Catalyst Impregnated Fe with Diffraction Method Using MAUD Software

This research characterizes the space group and R-phase crystal structure using the XRD method and Rietveld refinement. Rietveld improvements using the Material Analysis Using Diffraction (MAUD) software are acceptable if the Rwp < 15% and Sig < 2%. MAUD is a diffraction/reflectivity analysis program based primarily on the Rietveld method and here uses X-ray reflectivity data on materials. The intensity of the diffraction data of the powder sample is the appropriate reflection intensity so that the atomic structure of the crystalline material can be determined based on the Le bail characterization technique. The reflectance intensity of this Fe/Zeolite is Rw = 9.51% and Sig = 1.76%. XRD analysis on Lampung activated natural Zeolite before impregnation showed a monoclinic clinoptilolite crystal phase, which gives the lattice parameters on a≠b≠c axis, axis angle α=γ=90o≠β. The Fe/zeolite in this study is a natural zeolite from Lampung, which was activated and then impregnated with Fe. The Fe/Zeolite catalyst Rietveld Refinement results showed Nepheline's closest crystal phase, which gave the lattice parameters a=b≠c, axis, angle α=β=90o; γ=120o, the shape is similar to the hexagonal crystal structure (HCP). These results can be used as an initial reference for the study of the crystallization diffraction pattern in the further development of this catalyst.

Structure of the Deformed 7075 Aircraft Al - Alloy with Material Analysis Using Diffraction (MAUD)

Structure of the Deformed 7075 Aircraft Al - Alloy with Material Analysis Using Diffraction (MAUD)

Mechanosynthesizing a dual cation orthophosphate using planetary ball mill; Potassium struvite production employing different primary components

In this study, the mechanosynthesis of potassium struvite (K-struvite) containing different primary components during ball milling was studied. X-ray Diffraction (XRD), Fourier-Transform Infrared (FTIR) and Raman spectroscopies, and Brunauer-Emmet-Teller (BET) methods beside Material Analysis Using Diffraction (MAUD) software were employed to characterize the mechanosynthesized particles. The conversion degrees of phosphate/non-phosphate base group reactions containing potassium dihydrogen phosphate/magnesium hydrogen phosphate/magnesium hydroxide/potassium hydroxide/magnesium oxide and phosphorus pentoxide were determined for different milling times. The formation kinetics data were analyzed together with the thermodynamic parameters of the corresponding reactions. It was found that the kinetics factors dominate the fast mechanosynthetical K-struvite formation due to the presence of the final product base in the reaction primary components. The calculated lattice parameters, a = 6.88 Å, b = 6.17 Å, c = 11.10 Å, were in agreement with each other. Comparable correlations were found between crystallite size and microstrain for all samples. Among all reactions, a technologically profound mechanosynthesis route for K-struvite production appears to be the reaction mixtures of magnesium/potassium hydroxyl with reverse phosphate base group. It was concluded that mechanosynthesis may be considered as a capable method in the fast production of mono-divalent orthophosphate utilizing different primary components.

Structural and magnetic properties of CoFe2O4 ferrite nanoparticles doped by gadolinium

This work’s main purpose is to investigate the effect of Gd3+ substitution on the structural, cation distribution, morphological, and magnetic characteristics of cobalt ferrite nanostructures. The nanostructures were synthesized through the sol-gel auto combustion technique. X-ray diffraction (XRD) analysis with the Rietveld refinement through the Material Analysis Using Diffraction (MAUD) program confirmed a single-phase spinel structure for lower contents of Gd3+. However, for higher concentrations, a trace of second phase GdFeO3 was evident. The crystallite size reduction from 17 to 11 nm with Gd3+ doping confirmed the formation of nanocrystalline Co–Gd ferrite. Cation distribution was another parameter inferred from the experimental data of XRD analyzed by the MAUD program. Fourier-transform infrared spectra confirmed the formation of spinel structure through two prominent vibrational modes observed at the desired wavelength range. FESEM analysis confirmed the data obtained from the XRD about the structure and morphology of the nano samples. Saturation magnetization (M S) of the nano samples evaluated at 10 K showed a decreasing behavior from 94 to 86 emu g−1 by Gd3+ doping, while a fluctuating trend of M S was observed at room temperature. Coercive field (H C) evaluated at 10 K reached a maximum value of about 1145 kA m−1 for the sample CoFe1.96Gd0.04O4, and then it decreased. At the same time, H C experienced no considerable change at 300 K. The possible concepts attributed to such a trend of H C were also investigated. Overall, the significant impact of Gd3+ doping on the cobalt ferrite nanoparticles causes Gd–Co ferrite to have a desirable capacity of permanent magnet materials and storage of information with high density. As a result, this ferrite may be a proper candidate to be utilized, especially at lower temperatures.

Multiple Wavelengths Texture Measurement Using Angle Dispersive Neutron Diffraction at WOMBAT

In contrast to conventional angle dispersive neutron diffractometers with a single-tube detector or a small-size linear position-sensitive detector, the WOMBAT diffractometer of the Australian Nuclear Science and Technology Organisation (ANSTO) is equipped with a large-area curved position-sensitive detector, spanning 120° for the scattering angle 2θ and 15° for the azimuth η, respectively. Here, WOMBAT was employed in establishing a texture measurement environment for complex textured samples, through measuring neutron diffractograms at two selected wavelengths on a typical reference sample of martensite–austenite multilayered steel sheet. All neutron patterns were simultaneously Rietveld analyzed using the software, Materials Analysis Using Diffraction (MAUD). The shorter wavelength (λ1 = 1.54 Å, k1 = 4.08 Å−1) enabled collecting the martensite reflections α-110, α-200, α-211, α-220, α-310, and α-222, as well as the austenite peaks γ-111, γ-200, γ-220, γ-311, γ-222, and γ-331 simultaneously, by pre-setting the detector range to 2Θ = 30~150°. The longer wavelength (λ2 = 2.41 Å, k2 = 2.61 Å−1) enabled separating the overlapping strong martensite α-110 and austenite γ-111 Laue–Bragg interferences more reliably. Moreover, the detector panel division along the vertical direction has a good stereographic coverage in the azimuthal angle η,. Such a combination of multiple-wavelength neutron diffraction combined with simultaneous Rietveld texture analysis was confirmed as being very valuable for realizing high precision measurements for complex textured samples at an orientation distribution graticule of 5°, and in a much shorter beam time than the conventional angle dispersive method.

Structural and magnetic evaluations of rare-earths (Tb, Pr, Ce, Gd, Y)-doped spinel ferrites for high frequency and switching applications

NiZn nanoferrites doped with rare-earth cations having stoichiometric composition such as Ni0.5Zn0.5R0.02Fe1.98O4 (R = Tb, Pr, Ce, Gd, Y) were prepared by sol–gel technique. The same amount of Ni and Zn with constant ratio of different rare-earths ions were doped to investigate the variations in the properties. X-ray diffraction (XRD), Field emission electron microscope (FESEM), and vibrating sample magnetometer (VSM) were used to investigate the structure, morphology, and magnetic properties of rare-earth doped NiZn nanoferrites, respectively. X-ray density, bulk density, and porosity were also calculated. Phase, crystallite size, structure, d-spacing, lattice parameter, micro strain, and cell volume are also calculated. XRD patterns were refined using Rietveld refinement method. The refinement was implemented by materials analysis using diffraction (MAUD). Bertaut method was used to evaluate the bond lengths, site radii, and shared and unshared edges. Single phase for all rare-earth-doped NiZn nanoferrites was confirmed from refined patterns. GOF (goodness of fit) was in the range which verifies the good matching of patterns with the standard patterns. The micrographs depicted the different morphologies of the rare-earths-doped NiZn ferrites which confirms the behavior of rare-earth ions in NiZn ferrites. Saturation, initial permeability, anisotropy (Ka), coercivity, Y-K angles, remanence, and magnetic moments were measured from magnetic loops using VSM. Y- and Gd-doped NiZn nanoferrites demonstrated better magnetic properties as compared to other rare-earth-doped NiZn ferrites. Switching field distribution response from the prepared nanoferrites was also investigated. High-frequency response depicted the use of these nanoferrites in microwave frequency regions such as S, X, and Ku band because of their strong magnetization response.

Rietveld Refinement Based Quantitative Phase Analysis (QPA) of Ouargla (Part of Grand Erg Oriental in Algeria) Dunes Sand

In this paper, XRD Rietveld refinements by using MAUD (Materials Analysis Using Diffraction) software have been performed to determine the quantitative identification of the crystalline phases in the dunes sand of Ouargla (Algeria). The main XRD reflections were related to quartz (SiO2), gypsum (CaSO42(H2O)) and bassanite (CaSO40.67(H2O)). Structural (space group, lattice parameters and unit cell volume), microstructural (crystallite size and microstrain) and percentages have been determined for each constituting phase. The XRD patterns of natural sample of Ouargla dunes sand indicated that the quartz in this sand has high crystalline nature and (101) is the preferred orientation of quartz growth. It has been appeared that quartz has the hexagonal structure at α- phase. The crystallite sizes of quartz, gypsum and bassanite were 970.57 nm, 522.70 and 99.98 nm respectively. Some comparisons have been made with other recent works. The refined XRD patterns show that quartz and gypsum were the main components in this sand, with 72.11% and 23.77% respectively, in addition to 4.34% of basanite. All this was done with goodness of fit (GOF) 1.70.

Analysis of microstructural parameters and quantification of phases in a plasma-nitrided AISI 4140 steel

ABSTRACT It is well known that plasma nitriding improves the mechanical, tribological, and corrosion-resistance properties of low-alloy steels. Nitride formation on the surface of the material could be the cause of these changes. However, there is no information specifically regarding the analysis and quantification of microstructural parameters produced after a nitriding plasma treatment on AISI 4140 steel. This work aims to determine the microstructural parameters (crystallite size and microstrain) and to quantify the nitride phases formed on the surface of the alloy by the nitriding treatment in order to find a possible correlation with the values of microhardness. The microstructural parameters and phase quantification were calculated from a Rietveld analysis using Materials Analysis Using Diffraction (MAUD) software. The results indicate that characteristics, such as phase, composition and thickness, can be easily changed by varying the working parameters. The obtained microhardness value increases with the presence of a γ′-Fe4N phase. Correlations between the microhardness, and corresponding microstructural parameters and phase quantification of the nitrided surface are discussed.

Assessing Rietveld refinement results on silicon carbide nanoparticles produced by magnesiothermal treatment

Collection and evaluation of X-ray diffraction (XRD) data are essential not purely for phase and structural investigation, but more importantly for all intends and purposes of comprehensive materials characterizations. Incorrect XRD analysis result will lead to misinterpretation of the phase and structural characteristics. The worst part is that instigates inappropriate interpretation of other phase-dependent or structural-dependent properties, e.g. electric, magnetic, or thermodynamic properties. Consequently, accurate phase identification and crystal structure quantification from XRD data is inevitable prior to further materials characterizations, most significantly for nanomaterials. In this present study, we reported the complete XRD qualitative and quantitative analyses of silicon carbide (SiC) nanoparticles. The phase identification was run using X’Pert High Score Plus (HSP) software. Furthermore, the crystal structure computation was executed by means of different Rietveld-based computer programs, i.e. HSP, MAUD (Material Analysis using Diffraction), GSAS (General Structure Analysis System) and Rietica. Our research revealed that the synthesized silicon carbide preserved a cubic crystal structure. MAUD and GSAS could predict the equivalent particle size which was close to that of captured by transmission electron microscopy (TEM). In addition, MAUD produced the most accurate value of the particle size. In this case, Rietica and MAUD extracted similar lattice parameter of the silicon carbide. At last but not least, the electron density mapping also presented to confirm the cubic crystal structure formation of the silicon carbide nanoparticles.

Mn-Induced Thermal Stability of L10 Phase in Fept Magnetic Nanoscale Ribbons.

Magnetic nanoscale materials exhibiting the L10 tetragonal phase such as FePt or ternary alloys derived from FePt show most promising magnetic properties as a novel class of rare earth free permanent magnets with high operating temperature. A granular alloy derived from binary FePt with low Pt content and the addition of Mn with the nominal composition Fe57Mn8Pt35 has been synthesized in the shape of melt-spun ribbons and subsequently annealed at 600 °C and 700 °C for promoting the formation of single phase, L10 tetragonal, hard magnetic phase. Proton-induced X-ray emission spectroscopy PIXE has been utilized for checking the compositional effect of Mn addition. Structural properties were analyzed using X-ray diffraction and diffractograms were analyzed using full profile Rietveld-type analysis with MAUD (Materials Analysis Using Diffraction) software. By using temperature-dependent synchrotron X-ray diffraction, the disorder–order phase transformation and the stability of the hard magnetic L10 phase were monitored over a large temperature range (50–800 °C). A large interval of structural stability of the L10 phase was observed and this stability was interpreted in terms of higher ordering of the L10 phase promoted by the Mn addition. It was moreover found that both crystal growth and unit cell expansion are inhibited, up to the highest temperature investigated (800 °C), proving thus that the Mn addition stabilizes the formed L10 structure further. Magnetic hysteresis loops confirmed structural data, revealing a strong coercive field for a sample wherein single phase, hard, magnetic tetragonal L10 exists. These findings open good perspectives for use as nanocomposite, rare earth free magnets, working in extreme operation conditions.

Impact of Co doping on physical, structural, microstructural and magnetic features of MgZn nanoferrites for high frequency applications

Cobalt (Co) doped MgZn spinel nanoferrites with composition Mg0.5Zn0.5Cox Fe2-xO4 at x = 0.0, 0.10, 0.20, 0.30, 0.40, 0.50 were prepared using sol-gel auto ignition method. The characterizations techniques such as FESEM, FTIR, XRD and VSM were used to determine the morphology, force constants, phase, structure and magnetic features of the samples. Lattice parameters, FWHM, d-spacing, crystallite size, micro strains and volume were investigated using high score plus software. Materials analysis using diffraction (MAUD) software was also used to study the Rietveld refinement properties of the Co doped MgZn ferrites. Physical properties such as porosity, X-ray and bulk density were also determined. Force constants of their respective absorption bands were calculated from FTIR of the Co doped MgZn nanoferrites. Single phase structure with cubic phase were observed for MgZn and Co doped MgZn at x = 0.0 whereas second phase was observed at higher Co concentrations respectively. FESEM show regular shape of the particles at low Co concentrations whereas agglomerations were observed at higher Co concentrations respectively. The magnetic properties of the Co doped MgZn ferrites were also investigated from VSM study. Magnetic remanence, coercivity, initial permeability, saturation magnetization, Bohr magneton and anisotropy constant were determined from VSM analysis. The coercivity, saturation magnetization, remanence, anisotropy constant and initial permeability were enhanced with the doping of ‘Co’ in MgZn nanoferrites. Response of the Co doped MgZn nanoferrites at high frequency regime was also evaluated. It can be seen that the response from all the Co doped MgZn nanoferrites was 2.84 GHz–5.96 GHz respectively and suggested the use of these nanoferrites for the operation of nanodevices in the X-band high frequency regime.

Selected Area Electron Diffraction, a technique for determination of crystallographic texture in nanocrystalline powder particle of Alloy 617 ODS and comparison with Precession Electron Diffraction

Texture analysis in nanocrystalline materials is a challenge. A simple technique as Selected Area Electron Diffraction (SAED) has been used to evaluate texture in a single nanocrystalline Alloy 617 ODS powder particle by carrying out Rietveld texture refinement using Material Analysis Using Diffraction (MAUD) software package and the results were compared with the ASTAR™/Precision Electron Diffraction (ASTAR™/PED) results. Extraction of texture from the SAED patterns involved image analysis and Rietveld refinement of radial plots divided into judiciously chosen angular spans. Inverse pole figure (IPF) from SAED pattern using MAUD revealed 〈110〉 texture parallel to the normal direction (electron beam direction) for unmilled and 6 h milled powders. IPF from ASTAR™/PED technique also shown 〈110〉 lying parallel to the normal direction (beam direction) in both unmilled and the 6 h milled powder. A one is to one correspondence of IPF obtained from MAUD to that of ASTAR™/PED was observed. Texture in unmilled powder could be attributed to the compressive force during rapid solidification in water atomisation process. During the milling process, inhomogeneous rolling and compression of the trapped powder particle in between the balls and between the balls and walls of the jar resulted in shear texture in 6 h milled powder. ASTAR™/PED technique also showed the presence of 〈100〉 //ND texture which was attributed to solidification in unmilled powder and 〈112〉 //ND type texture in milled powder attributed to twin mode of deformation during milling.

X-Ray Diffraction Analysis of Ultrasound-Treated Alloy 6061 by Rietveld Method

Aluminum alloy 6061 is studied after an ultrasonic treatment conducted at different vibration amplitudes in the casting process. The alloy is subjected to a diffraction analysis with processing of the spectra by the Rietveld method using the MAUD (Materials Analysis Using Diffraction) software. The texture parameters, the rms strain, the lattice parameter, and the crystallite size are determined by the Rietveld technique. It is shown that the porosity of the alloy deceases considerably after the ultrasonic treatment, which also affects positively the texture of the alloy.

Incipient low-temperature formation of MAX phase in Cr\u2013Al\u2013C films

Ceramic-metallic MAX phase of chromium aluminium carbide ternary compounds was successfully obtained through deposition by DC sputtering onto Si substrates. A study of the influence of substrate temperature and in-air post-annealing on the film crystallinity and oxidation was undertaken. Scanning electron microscopy (SEM), wavelength-dispersive X-ray analysis (WDSX), and X-ray diffraction (XRD) were used for film characterization. It is shown that, at substrate temperature of about 450 °C, as-deposited films are amorphous with small nanocrystals. Subsequent annealing in air at 700 °C leads to film crystallization and partial oxidation. WDSX spectroscopy shows that the films oxidise to a depth of around 120 nm, or 5% of total film thickness which amounts at around 2.68 μm. As a novelty, this demonstrates the possibility of in-air crystallization of Cr2AlC films without significant oxidation. Materials Analysis Using Diffraction (MAUD) software package for a full-profile analysis of the XRD patterns (Rietveld-type) was used to determine that, as a result of annealing, the average crystallite size changes from 7 to 34 nm, while microstrain decreases from 0.79% to 0.24%. A slight tendency of preferential growth along the (10ī0) direction has been observed. Such texturing of the microstructure has the potential of inducing beneficial anisotropic fracture behaviour in the coatings, potentially interesting for several industrial applications in load-bearing devices.

Determination of Binding Energy For Cu and Cu2o Based X-Ray Diffraction Spectrum

Binding Energy of Cu and Cu2O was determined by using semi-emperical method based on X-ray diffraction (X-RD) spectra. Parameter Method 3 (PM3) single point method in hyperChem used to analysis Binding Energy of Cu and Cu2O. Cu was annealing at temperature 600°C, 800°C for 30 minutes to get the oxide form. X-RD use to obtain lattice and distance between neighbor atoms formed in the samples as input parameter for empirical method by using Material Analysis Using Diffraction (MAUD). The Binding Energy for Cu is -87,69 kcal/mol at room temperature (RT). The binding energy for Cu2O are -156.29 kcal/mol and - 159.36 kcal/mol, at 600°C and 800°C respectively. The advantage of the method used in this study is not required the input parameter of ionic energy interaction, which is very difficult to determine based on X-RD data. This mean, the method in this study is effectively and efficiently for determining the binding energy of element metal and their oxides.

Effects of graphene oxide doping on the structural and superconducting properties of YBa2Cu3O7−δ

In this research we reported the effects of graphene oxide (GO) doping on the structural and superconducting properties of YBa2Cu3O7−δ (YBCO) high temperature superconductors. We synthesized YBCO powder by sol–gel method. After calcination, the powder mixed with different weight percent (0, 0.1, 0.3, 0.7, 1 wt.%) of GO. Refinement of X-ray diffraction (XRD) was carried out by material analysis using diffraction (MAUD) program to obtain the structural parameters such as lattice parameters, site occupancy of different atoms and orthorhombicity value for the all samples. Results show that GO doping does not change the structure of YBCO compound, Cu (1), Cu (2) and oxygen sites occupancy. It seems that GO remains between the grains and can play the role of weak links. We found that GO addition to YBCO compound increases transition temperature (TC). The oxygen contents of the all GO-doped samples are increased with respect to the pure one. The strain (ɛ) of the samples obtained from Williamson–Hall method, varies with increasing of GO doping. The scanning electron microscopy (SEM) images of the samples show better YBCO grain connections by GO doping.