نتایج جستجو برای: powder xrd

تعداد نتایج: 70056  

A. Beitollahi1, B. Alinejad1,, H. Sarpoolaky1,, S. Afshar2,

Abstract: Nanocrystalline MgAl2O4 spinel powder was synthesized using metal nitrates and a polymer matrix-based composed of sucrose and polyvinyl alcohol (PVA). The precursor and the calcined powders were characterized by simultaneous thermal analysis (STA), X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FT-IR), and scanning electron microscopy (SEM). According to XRD res...

Ab initio random structure searching of organic molecular solids: assessment and validation against experimental data† †Electronic supplementary information (ESI) available: Results of similarity analysis between the 11 structures of lowest energy obtained in the AIRSS calculations and the reported structures of form III and form IV of m-ABA; unit cell parameters and volumes for all structures considered; comparison of 2θ values derived from the unit cell parameters of different structural models representing form III of m-ABA; Le Bail fitting of the experimental powder XRD pattern of form IV of m-ABA recorded at 70 K using, as the initial structural model, the reported crystal structure following geometry optimization; table of calculated (GIPAW) absolute isotropic NMR shieldings; simulated powder XRD data for the considered structures after precise geometry optimization; experimental 1H MAS NMR spectra of forms III and IV. (pdf) The calculated and experimental data for this study are provided as a supporting dataset from WRAP, the Warwick Research Archive Portal at http://wrap.warwick.ac.uk/91884. See DOI: 10.1039/c7cp04186a

2017
Miri Zilka Dmytro V Dudenko Colan E Hughes P Andrew Williams Simone Sturniolo W Trent Franks Chris J Pickard Jonathan R Yates Kenneth D M Harris Steven P Brown

This paper explores the capability of using the DFT-D ab initio random structure searching (AIRSS) method to generate crystal structures of organic molecular materials, focusing on a system (m-aminobenzoic acid; m-ABA) that is known from experimental studies to exhibit abundant polymorphism. Within the structural constraints selected for the AIRSS calculations (specifically, centrosymmetric str...

2007
D. Goberman

We report the direct deposition of epitaxial 215-nm-thick vanadium sesquioxide (V2O3) films on aand c-plane sapphire substrates from powder-pressed V2O3 targets via pulsed-laser deposition (PLD) in an evacuated deposition chamber devoid of O2. The films were characterized using x-ray diffraction (XRD), x-ray photoemission spectroscopy (XPS), x-ray absorption fine structure (XAFS) spectroscopy, ...

Journal: :Journal of pharmaceutical sciences 2014
Marieta Muresan-Pop Dario Braga Mihaela M Pop Gheorghe Borodi Irina Kacso Lucia Maini

The crystal structures of the monohydrate and anhydrous forms of ambazone were determined by single-crystal X-ray diffraction (SC-XRD). Ambazone monohydrate is characterized by an infinite three-dimensional network involving the water molecules, whereas anhydrous ambazone forms a two-dimensional network via hydrogen bonds. The reversible transformation between the monohydrate and anhydrous form...

2015
Mahendra Kumar Trivedi Rama Mohan Tallapragada Gopal Nayak Rakesh Kumar Mishra Snehasis Jana

Calcium carbonate (CaCO3) is widely used in pharmaceutical industries and as a supplement in probiotics. The present study was designed to evaluate the effect of biofield energy treatment on the physicochemical properties of the CaCO3. The CaCO3 powder was divided into two parts and referred as control and treated. The control part was remained untreated, whereas treated part was subjected to T...

Journal: :Environmental science & technology 2005
Yuji Arai D L Sparks J A Davis

We investigated arsenate (As(V)) reactivity and surface speciation on amorphous aluminosilicate mineral (synthetic allophane) surfaces using batch adsorption experiments, powder X-ray diffraction (XRD), and X-ray absorption spectroscopy (XAS). The adsorption isotherm experiments indicated that As(V) uptake increased with increasing [As-(V)]0 from 50 to 1000 microM (i.e., Langmuir type adsorptio...

2016
Anu Saini Ashok Kumar Vijay Kumar Anand Suresh Chander Sood

Graphene is a hot area of research because of its unique and remarkable properties. These properties have invoked researchers to use this form of carbon in various potential applications. One of the bottlenecks in developing such application is mass production of graphene. Hummer’s Method is one of the easiest and economical methods to synthesize huge amount of reduced graphene oxide (RGO) shee...

2009
SA Manafi MH Amin MR Rahimipour E Salahi A Kazemzadeh

This study reports on the mechanothermal synthesis of multiwalled carbon nanotube (MWCNTs) from elemental graphite powder. Initially, high ultra-active graphite powder can be obtained by mechanical milling under argon atmosphere. Finally, the mechanical activation product is heat-treated at 1350 degrees C for 2-4 h under argon gas flow. After heat-treatment, active graphite powders were success...

Journal: :Dalton transactions 2014
Mohammed S M Abdelbaky Zakariae Amghouz Santiago García-Granda José R García

A novel metal-organic framework assembled from Y(iii), Li(i), and terephthalate ligand, formulated as [LiY(BDC)2(H2O)·2(H2O)] (1) (H2BDC = terephthalic acid), has been obtained as single phase under hydrothermal conditions. The crystal structure was solved by single-crystal X-ray diffraction and the bulk was characterized by powder X-ray diffraction (PXRD), thermal analyses (TG-MS and DSC), vib...

2011
MEHDI MAZAHERI S. A. HASSANZADEH-TABRIZI M. AMINZARE S. K. SADRNEZHAAD

Ceria (CeO2) is an important rare earth oxide and has been widely investigated in the automotive exhaust puri cation, oxygen storage and release catalysis, and solid oxide fuel cell applications. In recent years, due to the excellent physical and chemical properties of nanosized particles, which are signi cantly different from those of bulk particles, there is considerable interest in enhancing...

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