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3. Determination of Na + Cation Locations in Nanozeolite ECR-1 Using a 3D ED Method.

Author

Örs, Taylan, Deroche, Irena, Chatelard, Corentin, Dodin, Mathias, Martinez-Franco, Raquel, Tuel, Alain, and Paillaud, Jean-Louis

Subjects
*RIETVELD refinement, *WATER distribution, *SINGLE crystals, *UNIT cell, *ELECTRON diffraction
Abstract

Until now, the comprehensive structural analysis of single crystals of zeolite ECR-1, an aluminosilicate with the EON topology, has been hindered owing to the submicron dimensions of the obtained crystals. Additionally, this zeolite, which is characterized by a topology comprising alternating periodic building units of MAZ and MOR layers, exhibits stacking faults that impede accurate refinement through the Rietveld method. In this report, we present, for the first time, the structure of ECR-1 elucidated by studying a nanocrystal with a significantly reduced number of stacking faults. The sample used was synthesized hydrothermally using trioxane as the organic structure-directing agent. The structure determination was conducted using precession electron diffraction (PED) at 103 K. Partial dehydration occurred owing to the high vacuum conditions in the TEM sample chamber. From the dynamical refinement (Robs = 0.097), 8.16 Na+ compensating cations were localized on six distinct crystallographic sites, along with approximately four water molecules per unit cell. Furthermore, a canonical Monte Carlo computational study was conducted to compare the experimental cationic distribution and location of water molecules with the simulation. [ABSTRACT FROM AUTHOR]

Published
2024
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7. The synthesis and structure of decagonal Frank-Kasper quasicrystals

Author

Örs, Taylan

Subjects
Physics, CLUSTER (PHYSICS OF MOLECULAR SYSTEMS), KRISTALLSTRUKTURANALYSE MIT RÖNTGENSTRAHLEN, MIKROSTRUKTUR VON MOLEKULARSYSTEMEN (PHYSIK), SINGLE CRYSTALS, MICROSTRUCTURE OF MOLECULAR SYSTEMS (PHYSICS), ZINC COMPOUNDS (INORGANIC CHEMISTRY), ZINKVERBINDUNGEN (ANORGANISCHE CHEMIE), EINKRISTALLE, X-RAY CRYSTAL STRUCTURE ANALYSIS, Engineering & allied operations, CLUSTER (PHYSIK VON MOLEKULARSYSTEMEN)
Published
2014
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8. Ferroboron production by electrodeoxidation

Author

Örs, Taylan, Öztürk, Tayfur, Karakaya, İshak, and Metalurji ve Malzeme Mühendisliği Anabilim Dalı

Subjects
Electrochemical reduction, Metalurji Mühendisliği, Boron compounds, Metallurgical Engineering
Abstract

Bu çalışmada ferrobor (Fe -% at 14 B) kristal halde (Fe + Fe2B) elektrodeoksidasyon ile sentezlenmiştir. Bunun için Fe2O3 ve H3BO3 gereken oranlarda spex öğütücüsünde karıştırılmıştır. Oluşan toz soğuk preslenip ve 900 °C'de sinterlenmiştir ve bunun sonusunda iki fazlı bir yapı elde edilmiştir(Fe3BO6 ve Fe2O3). Sinterlenmiş pelletler CaCl2 içerisinde 850°C'de 3.1 V gerilim uygulanarak 12 saat boyunca elektrodeoksidasyon işlemine tabi tutulmuştur. İşlem sonucunda yapıda hedef kompozisyondan bir miktar fark gösteren oranlarda Fe ve Fe2B bulunmuştur. İndirgenme işleminin kimyasal mekanizması mevcut termodinamik veri ve kısmen indirgenen numunelerin x-ışınları analizi yardımı ile incelenmiştir. CaO ve Ca3B2O6 bileşiklerinin elektrodeoksidasyon işleminin ara basamaklarında etkili olduğu tespit edilmiştir. In this study ferroboron (Fe - 14 at %B) was synthesized in crystalline form (Fe + Fe2B) via electrodeoxidation. For this purpose, Fe2O3 and H3BO3 were mixed in suitable proportions via spex mill. The powder was cold pressed and sintered at 900 °C yielding a two phase structure Fe3BO6 and Fe2O3. The sintered pellets were electro-deoxidized in CaCl2 by applying 3.1 Volts at 850°C for 12 hours. This yielded Fe and Fe2B in proportions slightly deviating from the target composition. The chemical pathway of reduction is inspected by the help of the available thermodynamic data and the x-ray characterization of partially reduced samples. CaO and the formation of Ca3B2O6 were found to be effective in the mid-steps of this electrodeoxidation process. 52

Published
2008

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