Science method
X-ray Diffraction - Science method
The scattering of x-rays by matter, especially crystals, with accompanying variation in intensity due to interference effects. Analysis of the crystal structure of materials is performed by passing x-rays through them and registering the diffraction image of the rays (CRYSTALLOGRAPHY, X-RAY). (From McGraw-Hill Dictionary of Scientific and Technical Terms, 4th ed)
Publications related to X-ray Diffraction (10,000)
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Germanium (Ge) was added to formamidinium cesium lead triiodide perovskite crystals and the microstructures and photovoltaic properties were investigated. The Ge addition stabilized the α-phase of the perovskites and suppressed formation of the δ-phase. X-ray diffraction peaks of the α-phase increased by increasing the Ge contents. The highest conv...
The phase structure, grain refinement, and microalloying effect of the Al-5Er-Ti master alloy were analyzed by a refining experiment, microhardness test, OM, SEM, and XRD. The results show that when the Er/Ti atomic ratio is 2.7, the refining effect of the Al-5Er-0.5Ti master alloy is significantly better than Al-5Er, which is due to the Ti2Al20Er...
تضمن تحضير وتشخيص عدد من معقدات ثنائي ثايو كاربميت للاحماض الامنية مع عدد من العناصر الانتقالية Ni(II) والعناصر غير الانتقالية Zn(II) ، Hg(II)، اذ استعملت الاحماض الامينية ( التايروسين و التريبتوفان ) , وقد حضرت معقدات ثنائي ثايوكاربميت مباشرة في وعاء واحد لصعوبة الحصول على الليكاند بصورة صلبة إذ تم تحضير المعقدات ذوات الصيغ العامة الآتية : معقدات...
This article presents findings on the synthesis and crystal structure analysis of 5-nitro-4-(4-methoxyphenoxy)phthalonitrile. The crystal structure was meticulously refined using X-ray diffraction techniques, which allowed for a detailed examination of the molecular arrangement within the crystal. The manuscript elaborates on the significant interm...
Este estudio aborda la caracterización química y estructural de polvos derivados de la molienda de desechos de memorias RAM, enfocándose en la identificación de su composición química (elementos metálicos y no metálicos). Mediante el uso de técnicas avanzadas como espectroscopía de energía dispersiva de rayos X (EDS) y difracción de rayos X, se det...
An X-ray diffraction pattern consists of relevant information (the signal) and noisy background. Under the assumption that they behave as the components of a two-dimensional mixture (bicomponent fluid) having slightly different physical properties related to the density gradients, a Lattice Boltzmann Method is applied to disentangle the two differe...
High-resolution single-crystal X-ray diffraction experiments on Zn4Si2O7(OH)2·H2O hemimorphite were conducted at high pressure using diamond anvil cells at several different synchrotron facilities (ESRF, Elettra, DESY). Experimental data confirmed the existence of a previously reported phase transition and revealed the exact nature of the incommens...
El yoduro de plata, AgI, dopado con la familia MI (M = K, Na, NH4, Li, entre otros) es muy estudiado por su alta conductividad iónica por encima de 420 K. En el sistema KI-AgI, el ion de plata (radio iónico 0.126 nm) es sustituido por el ion de potasio (radio iónico 1.33 nm), modificando la estructura cristalina del electrolito sólido AgI y, por ta...
Cellulose is skeletal material of sclerenchymatous cell wall. The relationship between the structure of cellulose and the mechanical properties of the cell wall was studied in the research. Samples of cells were from different position at the cross section (rind, near rind, and core) of different position along sugarcane stem (top, middle, and base...
The crystal structure of a highly loaded complex of silicalite-1 (SL-1) with eight molecules of p-xylene per unit cell has been solved by single-crystal X-ray diffraction. In the crystal, four symmetrical Si24O48·2C8H10 subunits per unit cell are observed. The p-xylene molecules sit at two different positions within the SL-1 channels. The first m...
工业上采用湿式镁法脱硫获得的硫酸镁溶液，经过蒸发浓缩结晶后获得的产品存在着颜色变色等问题。 研究了经过脱硫废液后液体各指标及颜色的对比情况，采用ICP-OES测定了样品中离子的浓度范围，确定了相应液体 中各离子浓度的变化情况。再针对相应溶液获得硫酸镁产品进行指标分析，通过产品颜色的对比，采用XRF测试了过 滤前后硫酸镁样品的元素组成，确定了产品中各元素的占比情况；通过XRD对烘干后滤渣物相进行了测试，确定了滤 渣的物相分析，最终确定红色物质为硒单质。
Two compounds of polyoxometalate, (NH4)5[IMo6O24]·3NH3.5H2O (1) and (NH4)6[TeMo6O24]·NH3.5H2O (2), have been synthesized and characterized by elemental analysis IR and Uv-visible spectroscopy TG analysis and single-crystal X-ray diffraction. The crystal data for these compounds are the following: 1, orthorhombic, Pccn, a=14.2765(4) Å, b= 14.9384...
La aleaci´on Fe−Al en la composici´on Fe50Al50 fue sintetizada por la t´ecnica de horno de arco, luego tratada t´ermicamente a 6000C. El difractograma de rayos X (DRX) y espectroscopia Mˆossbauer (EM) a temperatura de ambiente muestra la formaci´on del intermet´alico FeAl el cual es ajustado con un singlete; la soluci´on s´olida Fe(Al), correspondi...
In this paper, two new compounds, (1) and (2), have been synthesized by a one pot process at the reflux condition. Both compounds were characterized by infrared and UV-visible spectroscopy techniques, as well as by X-ray diffraction. The compound (1) crystallizes in the monoclinic system with the space group P21/n and the compound (2) crystallizes...
Investigated the structural changes due to Mo- substitution in Ni-Zn ferrites.
Analyzed properties using XRD, FTIR, VSM, Kerr Analyzer, & UV-Vis techniques.
Correlation of changes in properties with increasing Mo concentration.
X ray diffraction to crystal is the first and most convenient and important method for man to research thematerial microstructure. X ray diffraction has the character of no damaging sample, no pollution, and highmeasuring accuracy. Material phase structure, the measurements, direction and distribution of crystalline grain,stress and other informati...
Polyvinyl Pyrrolidone(PVP)/[La(NO3)3+Cr(NO3)3] composite nanofibers were fabricated by electrospinning. SEMmicrographs indicated that the surface of the prepared composite fibers was smooth, and the diameter of thenanofibers was in the range of 1-3?m. XRD analysis revealed that the composite nanofibers were amorphous instructure. LaCrO3 nanofibers...
XRD, Raman analysis, and metallographic analysis are used to identify corrosion products of ancient bronzesexcavated from Qiaojiayuan tombs, and the result indicates that the corrosion products mainly includesCu2CO3(OH)2, Cu3(OH)2(CO3)2, Cu2O, Cu2Cl(OH)3, CuCl2·2H2O, PbCO3 and SiO2. It was found that theseancient bronzes were preserved in a chloric...
A high-strength Al-Mg-Si alloy was prepared using mechanical alloying (MA) combined with press-forming (PF) technology, achieving a strength of up to 715 MPa and a hardness of 173 HB. The microstructures were comparatively analyzed with conventional cast Al-Mg-Si alloys using XRD, TKD, and TEM. The XRD results showed that the full width at half max...
In this paper, we present a detailed investigation of the structural, magnetic, and electrical transport properties of Eu2−xCuxRu2O7 (x = 0, 0.2, 0.4) pyrochlores. X-ray diffraction measurements confirm the single-phase nature of all samples and also manifest the reduction of lattice parameters with the increase in copper doping concentration. The...
A C(7)-fluorinated derivative of oxycodone was obtained for the first time by the electrophilic fluorination of the lithium enolate of oxycodone. The reaction involving Selectfluor proceeds stereoselectively and results in the formation of a single C(7)-epimer. The structure of the newly prepared 7α-fluorooxycodone was confirmed by X-ray diffractio...
This poster presents the study of the Impact of Ti-substitution on the structural, magnetic, and electrical properties of Mn–Ni–Zn Ferrites. Samples were prepared using the solid-state reaction method. XRD, FTIR, VSM, and Kerr Analyzers were used to analyze different property changes with increasing Ti content.
Olivine‐type LiFeyMn1−yPO4 (LFMP) is a promising cathode candidate with high energy density, chemical stability, and cost efficiency. However, an unidentified anomalous lithiation plateau (P II) often emerges between the Mn²⁺/Mn³⁺ and Fe²⁺/Fe³⁺ redox reactions, leading to a decrease in energy density. Herein, it is demonstrated that P II originates...
A simple and efficient method was developed to prepare the novel fluorescent tetra‐substituted thiophene derivatives. This method involves using the Gewald's conditions, followed by the Vilsmeier–Haack–Arnold (VHA) formylation. By judiciously controlling the use of the VHA reagent, we have selectively introduced a formyl group into position 5 of th...
In this study, we examined the electrochemical applications of powder nickel synthesized from the cathode material of spent NiMH batteries. X-ray diffraction measurements indicated that our synthesized powder sample exhibited phase purity and possessed a cubic structure with a space group of Fm-3m. Powder nickel samples attached to the surface of a...
In this study, it was focused on the structural and morphological and the corrosion properties of CIS NTFs electrodeposited on ITO substrates before and after annealing. After deposition, the CIS NTFs were annealed for 30 min. at 400 °C in a nitrogen (N2) atmosphere. X-ray diffraction (XRD) analysis indicated that CIS NTFs crystallize in a tetragon...
Integrating different molecular sieves facilitates to intensify the advantages of each single species but weaken their deficiencies in applications. The main goal of the present work is to align SAPO-44 and SAPO-11 as a potential composite catalyst for hydroisomerization of normal alkanes. In the present work, microparticles of SAPO-44 were used as...
Polyvinyl Pyrrolidone (PVP)/[La(NO3)3+Fe(NO3)3] composite nanofibers were fabricated by electrospinning. SEMmicrographs indicated that the surface of the prepared composite fibers was smooth, and the diameters of the nanofiberswas in the range of 1-3μm. XRD analysis revealed that the composite nanofibers were amorphous in structure. LaFeO3nanofiber...
SSZ-13 molecular sieve is prepared by the traditional hydrothermal method with silica sol, aluminium sulphate, sodiumhydroxide and deionized water as raw material, and N, N, N-trimethyl-l-adamant ammonium hydroxide as a template. Itis investigated in terms of the influencing factors and optimal reaction conditions, and characterized with XRD, BETsp...
Objective Solid dispersions of daidzein (DZ) were prepared using tween-80 as the surfactant to improve itsdissolution and solubility. Methods Using tween-80 as the surfactant and polyethylene glycol (PEG)-10000 as thecarrier, solid dispersions of DZ were prepared by solvent method. Infrared spectroscopy (IR) and X-ray diffractionspectroscopy were a...
In this study, we explore the charge transfer mechanism between WO3 and Cu2O in heterostructured WO3/Cu2O electrodes and in a WO3||Cu2O tandem photoelectrochemical cell. The physical–chemical characterizations of the individual WO3 and Cu2O electrodes and the heterostructured WO3/Cu2O electrode by XRD, XPS, and SEM methods confirm the successful fo...
A H2S gas sensor has been manufactured using Cr2O3-ɣFe2O3 nanoparticles with ratios of (2:1, 1:1, and 1:2), using the photolysis method. The chemical composition and microstructure of the resulting samples were characterized using XRD, EDx, and SEM. The sensor’s gas-sensing performance was examined at various operating temperatures ranging from 100...
Cronstedtite from two Mexican localities: 1) San Antonio mine, 9th level, East camp, Santa Eulalia mining district, Aquiles Serdán Municipality, Chihuahua, Mexico (MSA in the following), 2) Francisco I. Madero Mine, Noria de los Gringos, Zacatecas, Mexico (FIM in the following), were studied by single-crystal X-ray diffraction using the four-circle...
Ceramic matrix composition is crucial for enhancing flexural strength, fracture toughness, and microwave absorbing properties. This work prepared the SiCf/mullite composites with different Al2O3 contents via a precursor infiltration-pyrolysis process (PIP). The phase composition and structure were investigated according to the XRD patterns and Four...
Continuous-wave laser (CW) and pulsed-wave laser (PW) are the two laser modes in direct energy deposition (DED). This paper mainly reports on a study into the effects of the two laser modes on residual stresses with a given energy input. The contour method (CM) with non-uniform spatial distribution of inspection points was used to capture residual...
In this work, the possibilities of introducing nitric acid molecules with a solution concentration of 75–98% into graphite matrices in the form of synthetic quasi-monocrystal graphite and natural graphite of four different farcical compositions were determined in order to identify factors of the acid concentration and graphite size on the productio...
This paper discusses hyperconjugative stereoelectronic effects in borazines. A series of alkyl-substituted borazines were synthesized and analysed by NMR spectroscopy and X-ray diffraction. Supported by NBO analyses, the significant decreases...
This study uses high‐energy X‐ray diffraction microscopy of SrTiO3 to identify correlations between grain boundary (GB) area changes and the motion direction of neighboring GBs to investigate interfacial energy minimization mechanisms during grain growth. The local GB area changes were measured near triple lines (TLs) to isolate the effects of neig...
Supercritical fluid-based methods have been receiving increasing popularity in the production of pharmaceutical nanoparticles due to their ability to control the size and distribution of the particles and offer high purity products. The gas anti-solvent method is one of the methods in which a supercritical fluid serves as an anti-solvent. The aim o...
Presentamos dos capiteles tardorromanos inéditos elaborados en mármol blanco de Almadén de la Plata (Sevilla), según demuestran los análisis arqueométricos realizados (petrografía, microscopía óptica, catodoluminiscencia óptica, difracción de rayos X y geoquímica isotópica (87Sr/86Sr). Las piezas están reutilizadas como benditeras en la iglesia de...
In Ni-rich layered oxide cathodes, cycling above the oxygen-loss threshold voltage (~4.3 V vs. Li + /Li) promotes structural transformations at the cathode surface. These transformations can result in various thermodynamically favorable rock-salt like (RSL) structures (NiO, NiOx, and/or LiyNizO) that have different Li + transport properties. Elucid...
The evolution of the mechanical properties of Zr-2.5Nb pressure tubing during irradiation is dependent on dislocation loop densities that are represented by the broadening of X-ray diffraction lines. Empirical models for the integral breadth of the diffraction peaks as a function of operating conditions have been developed to predict the mechanical...
Se evaluó la actividad fotocatalítica de películas delgadas de TiO2:Co en la reacción de fotodegradación de verde de malaquita (10 µM/L), con una fuente de luz solar simulada, se estudiaron las especies reactivas responsables de la degradación mediante el uso de moléculas inhibidoras. Las películas delgadas se depositaron sobre sustratos de vidrio...
Ce travail présente une étude expérimentale et théorique combinée d'un nouveau dérivé d'hydrazone 2-((2, 4-diméthoxybenzylidène) hydrazono)-1, 2-diphénylethanone [DBHDE]. L'étude expérimentale a été réalisée par diffraction des rayons X sur monocristal, tandis que les calculs théoriques ont été prédits par la théorie fonctionnelle de la densité (DF...
En este trabajo se analizó la influencia de las condiciones de síntesis de recubrimientos de fosfato de manganeso: Precursores (MnO, MnCl2), concentración de precursores (3 y 4 g-L-1 Mn) y pH (3 y 5), sobre las propiedades estructurales, morfológicas y de corrosión de los recubrimientos depositados sobre sustratos de acero AISI 1020 a una temperatu...
En este trabajo se presenta la modificación de la matriz de Tetraetilortosilicato (TEOS) mediante la adición de Óxido de Galio (Ga2O3). El TEOS sin modificar, usado como referencia, se prepara en solución con agua desionizada, ácido clorhídrico y etanol en una relación molar 1 : 2: 3.8 : 3.6×10-3. Por otro lado, se preparó una solución coloidal de...
This study investigates valorization of piassava fiber through its incorporation in adobe bricks. The objective was to analyze the properties of adobe bricks reinforced with varying weight fractions of piassava fiber. The fibers were characterized for their chemical and physical characteristics, while the sand and clay were characterized for granul...
Telah dilakukan penelitian mengenai pembuatan film bioplastik nanokristal selulosa pelepah nipah (Nypa fruticans) yang dihasilkan dari proses sonikasi-hidrotermal dengan penambahan pati sagu. Penelitian ini bertujuan untuk menentukan karakteristik bioplastik berbahan nanokristal selulosa dengan penambahan pati sagu. Karakterisasi menggunakan metode...
Penelitian ini bertujuan untuk mensintesis nanopartikel perak dengan menggunakan berbagai variasi konsentrasi ekstrak dan suhu sintesis sehingga menghasilkan ukuran nanopartikel perak terkecil dan stabil. Tahap penelitian ini meliputi skrining fitokimia ekstrak air daun kecemcem, sintesis nanopartikel perak dengan konsentrasi ekstrak 0,5; 0,75 dan...
Polymer blends, particularly those containing Polybutylene terephthalate (PBT) and Polycarbonate (PC), are extensively utilized in various industrial applications due to their favorable mechanical and thermal properties. Enhancing the performance of such blends necessitates an understanding of the relationship between their crystalline structure an...
Six novel binuclear complexes have been reported in this paper: [Ln(2‐Cl‐6‐FBA)2(5,5′‐DM‐2,2′‐bipy)(NO3)]2, (Ln = Nd(1), Pr(2)); [Ln(2‐Cl‐6‐FBA)3(5,5′‐DM‐2,2′‐bipy)(H2O)]2, (Ln = Gd(3), Er(4), Eu(5), Ho(6); 2‐Cl‐6‐FBA = 2‐chloro‐6‐fluorobenzoate; 5,5′‐DM‐2,2′‐bipy = 5,5′‐dimethyl‐2,2′‐bipyridine). The complexes underwent comprehensive characterizat...
N-(3-hydroxyphenyl)-3-methoxybenzamide was synthesised by amide coupling. After crystallisation, single-crystal X-ray diffraction revealed two distinct polymorphs of the compound: one in the orthorhombic space group Pna21 with one molecule in the asymmetric unit (Z′ = 1) and a second in the triclinic space group P-1 with two molecules in the asymme...
In this paper, the strategy of substituting Ti⁴⁺ for Nb⁵⁺ in Mg4Nb2O9 microwave dielectric ceramic was employed to improve the microwave dielectric properties. Specifically, a maximum Q × f value of 137,462 GHz was obtained at x = 0.15, resulting in a nearly 30% increase in the quality factor (Q × f) for the Mg4Nb2−xTixO9−x/2 sample. Moreover, we i...
We report the synthesis and characterization (Raman, FTIR, DLS, single crystal XRD) of Cs10H3SbW14O50·6H2O, which contains a new polyoxometalate building block: H3SbW14O5010- (SbW14). Solution-state fluorescence, DLS, and UV-vis absorbance results with Nd3+, Eu3+, Am3+, and Cm3+ confirm that SbW14 acts as efficient complexant and fluorescence sensi...
Al2O3-AlN composite ceramics have a wide range of applications in the field of electronic information. In order to ensure their service safety and reliability, the post-treatment reinforcement technique under the thermochemical deformation control was used to enhance mechanical properties of the composite ceramics. Non-contact in-situ deformation m...
در این پژوهش که به صورت تطبیقی- تحلیلی و با رویکرد آزمایشگاهی انجام می¬گیرد سعی بر آن است که با شناسایی اجزاء تشکل دهنده، کانی¬ها و فازهای موجود در سفال¬ها از طریق آزمایشات پتروگرافی، XRD و در نهایت تطبیق نتایج آزمایشات با نمونه¬های مشابه، نمونه¬های خاک و واحدهای زمین¬شناسی مناطق مورد بررسی، به منشأیابی سفالینه¬ها پرداخته شود و همچنین محلی بودن یا...
![Selected bond lengths [Å].](publication/386739142/figure/tbl1/AS:11431281296291292@1733903266823/Selected-bond-lengths-A_Q320.jpg)
The crystal structure and the improved synthesis of the title compound (1) are presented. Treatment of 5,10-disilyldibenzo[a,e]pentalenes (2a and 2b) with iodine chloride (ICl) readily provided 1 in good yields. Recrystallization from a dichloromethane/hexane solution afforded single crystals suitable for X-ray diffraction studies. In the packing s...
En este estudio, se examina la influencia del ultrasonido en el proceso de estabilización de la turquesa. Se utilizó turquesa de grado "gis", caracterizada por su fragilidad y una apariencia opaca y lechosa. Esta fue sometida a un análisis detallado mediante difracción de rayos X en polvos. El proceso de estabilización se llevó a cabo bajo un vacío...
First find of alpersite for Bulgaria is reported. The specimens have been collected from an abandoned exploration drift in the Lozen ore field, Eastern Rhodopes. The studied crystals have prismatic habit and typical for the mineral pale blue color. XRF, XRD, SEM-EDS and DSC-TG analyses have been used to characterize the samples. The obtained crysta...
In the dimethyl ether (DME)-to-olefin (DTO) reaction over 20 types of P-loaded ferrierite zeolites with different P loading amounts, the synthesis of n-butenes such as 1-butene, trans-2-butene, and cis-2-butene was investigated to maximize the n-butene yield by optimizing the P loading amount. The zeolites were characterized using X-ray diffractome...
The broad compositional space of high entropy alloys (HEAs) presents an opportunity to research new hydrogen storage materials, with improved hydrogen storage properties under ambient temperature and pressure. The properties of these materials are influenced by several factors including composition, operating pressure, and temperature, as well as t...
Weyl semimetals have a variety of intriguing physical properties, including topologically protected electronic states that coexist with conducting states. Possible exploitation of topologically protected states in a conducting material is promising for technological applications. Weyl semimetals that form in a non-centrosymmetric structure that als...
To obtain a closed and smooth surface of a porous Si layer for an epitaxial growth of a silicon wafer, the porous Si must be reorganized. To understand the reorganization process, the evolution of the pores is investigated in this contribution. The reorganization process is interrupted at different stages and cross-sectional SEM images are taken to...
The structure and vibrational properties of glassy Ge19Te81 and Ga7.9Ge11.5Te80.6 alloys were studied using X-ray diffraction and Raman spectroscopy. The amorphous nature of the obtained alloys was confirmed by the experimental X-ray diffraction patterns. The latter were used for calculating radial distribution functions. Such calculations gave the...
