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Tag: Rietica


Evolution of Formation BIMEVOX with Sol Gel Method

One technology that can reduce the dependencies on current energy resources is fuel cells and one of them is solid oxide fuel cells (SOFC). Generally, SOFC have three components, i.e. catode, anode, and electrolyte. Electrolyte material of fuel cell must have a high ionic conductivity. Bi2VO5.5 (Bismuth vanadate, BIVOX) is one of oxide with high ionic conductivity. This oxide has three polymorphs, namely alpha, beta, and gamma. Gamma polymorph is the polymorph with the highest ionic conductivity. However, this polymorph is not stable at low temperatures and will transform to polymorph alpha or beta. To stabilize the gamma phases, one can substitute vanadium with various cation dopants. The result of this subtitution is a new family oxides namely bismuth metal vanadium oxide (BIMEVOX). BIMEVOX is generally synthesized via solid state reaction at high temperature and usually still has impurities. Thus a different synthesis method to obtain the gamma phase of BIMEVOX at low temperatures is needed. BIMEVOX synthesis method used in this study is a sol-gel method. This method can produce a high purity product because all of the metal cations are well mixed at the atomic level. BIMEVOX successfully synthesized using sol gel method with citric acid and ethylene glycol as chelating agent and a mole ratio of citric acid: ethylene glycol: total of cations = 10:4:1, at pH 1-3, and the gel was burned at the final temperature of 600 °C. Formation of BIMEVOX via sol-gel method is through gel to bismuth metal, complex of vanadium(IV), and complex of zinc, then a mixture oxide (BiVO4 and BIMEVOX) and finally BIMEVOX. This γ-BIMEVOX has a tetragonal structure with space group I4/mmm. Coordination of vanadium in this BIMEVOX is octahedral, tetrahedral, and square pyramidal. This BIMEVOX has a direct band gap energy of 2.18 eV. This BIMEVOX has γ-γ’ transition at 450 °C.

Keywords: BIMEVOX, sol gel, polymorph, vanadium coordination, band gap,γ-γ’ transition continue reading…

Petunjuk Refinement, Analisis Pola Difraksi Sinar-X Serbuk Menggunakan Metode Le Bail Pada Program Rietica

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Petunjuk refinement yang lama continue reading…


Synthesis and Atomic Simulation of Aurivillius Oxides

Most of studies in Aurivillius oxide have been synthesized of Aurivillius oxides with d0 cation as B cation. Recently, attempts to substitute d0 with dn cation at perovskite layered has been started. In this work attempt to substitute (Ti4+) with (Fe3+) has been carried out. Aurivillius oxides Sr2Bi4Ti5-xFexO18, Sr2+0,5xBi4Ti5-xFexO18, Pb2Bi5Ti5FeO21 and Pb3Bi5Ti6FeO24 have been synthesized using the solid state reaction method. X-ray Diffraction powder data were refined using Le Bail method implemented in Rietica. Sr2Bi4Ti5-xFexO18, and Sr2+0,5xBi4Ti5-xFexO18 oxideshave space group B2cb, Z = 4; whilst Pb2Bi5Ti5FeO21 and Pb3Bi5Ti6FeO24oxideshave space group A21am, Z = 4 and I4/mmm, Z = 2.The random substitution of cation Fe3+ at Ti4+ position in these Aurivillius oxides was showed by the increase of lattice volume and magnetic moment in these oxides with increasing Fe substitution. The results of atomic simulation indicate that there were goal agreements between the simulated and experimental structural parameter for several Aurivillius oxides like Bi2Mo0.25W0.75O6, Bi2+xLaxTiNbO9 (x = 0–1), ABi2Ta2O9 (A = Sr, Ba, Ca), AxSr2-xBi2Nb2TiO12 (A = Ba, Ca; and x = 0, 0.5), and Bi5Ti1.5W1.5O15, with the differences less than 0.03 %. Yoder Flora equation can be used to determine lattice energy of Aurivillius oxides.

Keywords: Aurivillius oxides; Solid state reaction; Le Bail method; Magnetic moment, Atomic Simulation. continue reading…