PENGUKURAN NILAI DIELEKTRIK MATERIAL CALCIUM COPPER TITANAT ( CaCu3Ti4O12 MENGGUNAKAN SPEKTROSKOPI IMPEDANSI TERKOMPUTERISASI

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Widodo Budi Kurniawan

2017-05-01

ABSTRACT   The measurement of the complex dielectric constant and the magnitude of the capacitor impedances of the ceramic materials Calcium Copper Titanate CaCu3Ti4O12 (CCTO with purity of 99% has been done by using the method of computerized impedance spectroscopy in the frequency range 5 kHz - 120 kHz. The highest dielectric constant of the material was found to be 745 at 5 kHz in the sample sintered 7000C and the highest impedance of capacitor occured in CCTO sample non sintered that is 150434Ω. The results showed that complex dielectric constant and impedance of the capacitor of the material under study was frequency dependent.   Keywords : impedance spectroscopy, CaCu3Ti4O12,complex dielectric constant and impedance of capacitor

Synthesis and characterization of CCTO (CaCu3Ti4O12)

International Nuclear Information System (INIS)

Fernandes, T.S.M.; Silva, M.A.S. da; Simao, S.H.C.; Silva, C.C.; Sombra, A.S.B.; Sales, J.C.

2011-01-01

The objective of this work is to study the ceramic material CCTO (CaCu 3 Ti 4 O 12 ) by X-Ray Diffraction. The CCTO is a material with a giant dielectric constant at room temperature and good temperature stability over a wide temperature and frequency ranges. The preparation method has a great influence on the structure and dielectric properties of this material. The CCTO was prepared by solid state method in a planetary high energy ball milling (Fritsch Pulverisette 5). Stoichiometric quantities of CaCO 3 (Aldrich 99%), TiO 2 (Merck 99%) and CuO (Analar 98%) were dry milled during 30h with a rotational speed of 370 rpm and then calcined at 1050 deg C for 12h. After, the CCTO was studied by X-ray diffraction (XRD). The refinement showed that the CCTO was formed with 100% mass, the graph of Williamson-Hall showed a homogeneous sample, with a contraction in the crystal lattice and a reasonably small particle size. (author)

Formation of self-organized Mn3O4 nanoinclusions in LaMnO3 films

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Alberto Pomar

2016-09-01

Full Text Available We present a single-step route to generate ordered nanocomposite thin films of secondary phase inclusions (Mn3O4 in a pristine perovskite matrix (LaMnO3 by taking advantage of the complex phase diagram of manganese oxides. We observed that in samples grown under vacuum growth conditions from a single LaMnO3 stoichiometric target by Pulsed Laser Deposition, the most favourable mechanism to accommodate Mn2+ cations is the spontaneous segregation of self-assembled wedge-like Mn3O4 ferrimagnetic inclusions inside a LaMnO3 matrix that still preserves its orthorhombic structure and its antiferromagnetic bulk-like behaviour. A detailed analysis on the formation of the self-assembled nanocomposite films evidences that Mn3O4 inclusions exhibit an epitaxial relationship with the surrounding matrix that it may be explained in terms of a distorted cubic spinel with slight (~9º c-axis tilting. Furthermore, a Ruddlesden-Popper La2MnO4 phase, helping to the stoichiometry balance, has been identified close to the interface with the substrate. We show that ferrimagnetic Mn3O4 columns influence the magnetic and transport properties of the nanocomposite by increasing its coercive field and by creating local areas with enhanced conductivity in the vicinity of the inclusions.

Comportamiento dieléctrico de cerámicos de CaCu3Ti4O12

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Castro, M. S.

2011-08-01

Full Text Available In this work, CaCu3Ti4O12 (CCTO ceramics were prepared by solid state reaction at 900°C for 12 h and sintered at 1100°C during 3 h. The main phase detected through X-ray diffraction (XRD was CCTO. Also, by means of Raman spectroscopy, it was observed a secondary phase rich in CuO. A dielectric constant higher than 13.000ε0 was obtained by Impedance spectroscopy measurements in the range between 25 to 106Hz. The value could be explained by the effect of dipolar and space charge polarization processes.En este trabajo se prepararon cerámicos basados en CaCu3Ti4O12 (CCTO por reacción en estado sólido a 900°C y posterior sinterizado a 1100°C. Mediante difracción de rayos X (DRX se comprobó la presencia de CCTO. A través de espectroscopía Raman se observó la presencia de una fase secundaria rica en CuO. Las mediciones de espectroscopía de impedancia demostraron que este material presenta una constante dieléctrica mayor a 13.000ε0 en el intervalo comprendido entre 25 y 106 Hz. Este valor es atribuido a la presencia de mecanismos de polarización de carga espacial y dipolar.

Crystal structure and ferroelectric properties of Ca(Cu3−xMx)Ti4O12 (M = Fe and Ni) ceramics

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Moriyama, Tohru; Kan, Akinori; Ogawa, Hirotaka

2013-01-01

Highlights: ► M-substituted Ca(Cu 3−x M x )Ti 4 O 12 (CCMTO) ceramics, where M = Fe and Ni, were synthesized. ► The influence of M substitution for Cu on crystal structure and ferroelectric properties of CCMTO ceramics were investigated. ► Analysis of CCMTO ceramics revealed the single phase of CCMTO ceramics belongs to I23 non-centrosymmetric space group of I23. ► As a result, the P r and E c values of CCFTO ceramics at x = 0.05 were 1.8 μC/cm 2 and 40 kV/cm, respectively. -- Abstract: M-substituted Ca(Cu 3−x M x )Ti 4 O 12 (CCMTO) ceramics, where M = Fe and Ni, were synthesized and the influence of M substitutions for Cu on the crystal structure and ferroelectric properties of CCMTO ceramics were investigated in this study. From the variations in the lattice parameters of CCMTO ceramics, the solubility limit of Ni substitution for Cu in CaCu 3−x Ni x Ti 4 O 12 (CCNTO) ceramics was x = 0.2, whereas that of CaCu 3−x Fe x Ti 4 O 12 (CCFTO) ceramics was x = 0.05. The crystal structural analysis of CCMTO ceramics revealed that the single phase of CCMTO ceramics belongs to the I23 non-centrosymmetric space group of I23; as a result, the P r and E c values of CCFTO ceramics at x = 0.05 were 1.8 μC/cm 2 and 40 kV/cm, respectively. The ferroelectric behavior of CCMTO ceramics by the M substitutions for Cu may be related to the displacement of a Ti 4+ cation in the TiO 6 octahedra and tilting of the Ti–O–Ti angle because of the non-centrosymmetric space group

Perovskite-based heterostructures integrating ferromagnetic-insulating La0.1Bi0.9MnO3

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Gajek, M.; Bibes, M.; Barthélémy, A.; Varela, M.; Fontcuberta, J.

2005-05-01

We report on the growth of thin films and heterostructures of the ferromagnetic-insulating perovskite La0.1Bi0.9MnO3. We show that the La0.1Bi0.9MnO3 perovskite grows single phased, epitaxially, and with a single out-of-plane orientation either on SrTiO3 substrates or onto strained La2/3Sr1/3MnO3 and SrRuO3 ferromagnetic-metallic buffer layers. We discuss the magnetic properties of the La0.1Bi0.9MnO3 films and heterostructures in view of their possible potential as magnetoelectric or spin-dependent tunneling devices.

A-site ordered perovskite CaCu3Cu2Ir2O12−δ with square-planar and octahedral coordinated Cu ions

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Zhao Qing; Wang Qing-Tao; Yin Yun-Yu; Dai Jian-Hong; Shen Xi; Yang Jun-Ye; Yu Ri-Cheng; Long You-Wen; Hu Zhi-Wei; Li Xiao-Dong

2016-01-01

A novel CaCu 3 Cu 2 Ir 2 O 12−δ polycrystalline sample was synthesized at 8 GPa and 1373 K. Rietveld structural analysis shows that this compound crystallizes in an -type A-site ordered perovskite structure with space group Im-3. X-ray absorption spectra reveal a +2-charge state for both the square-planar and octahedral coordinated Cu ions, and the valence state of Ir is found to be about +5. Although the A-site Ca and the A′-site Cu 2+ are 1:3 ordered at fixed atomic positions, the distribution of B-site Cu 2+ and Ir 5+ is disorderly. As a result, no long-range magnetic ordering is observed at temperatures down to 2 K. Electrical transport and heat capacity measurements demonstrate itinerant electronic behavior. The crystal structure is stable with pressure up to 35.7 GPa at room temperature. (paper)

Displacement-type ferroelectric transition with magnetic Mn ions in perovskite Sr1-xBaxMnO3

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Sakai, Hideaki; Fujioka, Jun; Fukuda, Tatsuo; Okuyama, Daisuke; Hashizume, Daisuke; Kagawa, Fumitaka; Nakao, Hironori; Murakami, Youich; Arima, Takahisa; Baron, Alfred Q. R.; Taguchi, Yasujiro; Tokura, Yoshinori

2012-02-01

Almost all the proper ferroelectrics with a perovskite structure discovered so far have no d-electrons in the off-center transition metal site, as exemplified by BaTiO3 and Pb(Zr,Ti)O3. This empirical d^0 rule is incompatible with the emergence of magnetism and has significantly restricted the variety of multiferroic materials. In this work, we have discovered a displacement-type ferroelectric transition originating from off-center Mn^4+ ions in antiferromagnetic Mott insulators Sr1-xBaxMnO3. As Ba concentration increases, the perovskite lattice shows the typical soft mode dynamics, and the ferroelectricity shows up for x .45. In addition to the large polarization and high transition temperature comparable to BaTiO3, we demonstrate that the magnetic order suppresses the ferroelectric lattice dilation by ˜70% and increases the soft-phonon energy by ˜50%, indicating gigantic magnetoelectric effects [1]. This work was supported by the FIRST program on ``Quantum Science on Strong Correlation''. [4pt] [1] H. Sakai et al., Phys. Rev. Lett. 107, 137601 (2011).

Effect of A-site deficiency in LaMn_0_._9Co_0_._1O_3 perovskites on their catalytic performance for soot combustion

International Nuclear Information System (INIS)

Dinamarca, Robinson; Garcia, Ximena; Jimenez, Romel; Fierro, J.L.G.; Pecchi, Gina

2016-01-01

Highlights: • A-site defective perovskites increases the oxidation state of the B-cation. • Not always non-stoichiometric perovskites exhibit higher catalytic activity in soot combustion. • The highly symmetric cubic crystalline structure diminishes the redox properties of perovskites. - Abstract: The influence of lanthanum stoichiometry in Ag-doped (La_1_-_xAg_xMn_0_._9Co_0_._1O_3) and A-site deficient (La_1_-_xMn_0_._9Co_0_._1O_3_-_δ) perovskites with x equal to 10, 20 and 30 at.% has been investigated in catalysts for soot combustion. The catalysts were prepared by the amorphous citrate method and characterized by XRD, nitrogen adsorption, XPS, O_2-TPD and TPR. The formation of a rhombohedral excess-oxygen perovskite for Ag-doped and a cubic perovskite structure for an A-site deficient series is confirmed. The efficient catalytic performance of the larger Ag-doped perovskite structure is attributed to the rhombohedral crystalline structure, Ag_2O segregated phases and the redox pair Mn"4"+/Mn"3"+. A poor catalytic activity for soot combustion was observed with A-site deficient perovskites, despite the increase in the redox pair Mn"4"+/Mn"3"+, which is attributed to the cubic crystalline structure.

Neutron investigation of Ru-doped Nd1/2Ca1/2MnO3. Comparison with Cr-doped Nd1/2Ca1/2MnO3

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Moritomo, Yutaka; Nonobe, Toshihiko; Machida, Akihiko; Ohoyama, Kenji

2002-01-01

Lattice and magnetic properties are investigated for 3% Ru- and Cr-doped Nd 1/2 Ca 1/2 MnO 3 . The parent Nd 1/2 Ca 1/2 MnO 3 is a charge-ordered insulator (T CO =250K). With decreasing temperature below ≅210K, these compounds are separated into two perovskite phases, that is, the long-c and short-c phases. The long-c region shows a ferromagnetic transition at T C ≅210K for the Ru-doped compound and ≅130K for the Cr-doped compound, while the short-c region shows antiferromagnetic transition at T N ≅150K for Ru and ≅110K for Cr. We discuss the origin of the enhanced T C for the Ru-doped compound in terms of the effective one-electron bandwidth W of the e g -band. (author)

Enhancement of magnetoresistance and ferromagnetic coupling in the complex perovskites CaCu{sub 3}(Mn{sub 4−x}Al{sub x})O{sub 12} (x = 0, 0.2, 0.4, and 0.6): A neutron diffraction study

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Ben Hassine, R.; Cherif, W. [Faculty of Sciences, Sfax University, Sfax, B.P. 1171-3000 (Tunisia); Sánchez-Benítez, J. [Departamento de Química Física I, Facultad de Ciencias Químicas, Universidad Complutense de Madrid, E-28040 Madrid (Spain); Mompean, F. J.; Alonso, J. A., E-mail: ja.alonso@icmm.csic.es [Instituto de Ciencia de Materiales de Madrid, Consejo Superior de Investigaciones Científicas, Cantoblanco, E-28049 Madrid (Spain); Fernández-Díaz, M. T. [Institut Laue-Langevin, B.P. 156, F-38042 Grenoble Cedex 9 (France); Elhalouani, F. [National School of Engineers, Sfax University, Sfax, B.P. W 3038 (Tunisia)

2015-09-14

New compounds of the series CaCu{sub 3}(Mn{sub 4−x}Al{sub x})O{sub 12} have been prepared under high pressure conditions (2 GPa), in the presence of KClO{sub 4} as oxidizing agent to stabilize Mn{sup 3+,4+} mixed valence. The polycrystalline samples have been characterized by x-ray diffraction, neutron powder diffraction (NPD), magnetic, and magnetotransport measurements. All the samples are cubic, space group Im-3. These oxides adopt a superstructure of ABO{sub 3} perovskite given by the long-range 1:3 ordering of Ca{sup 2+} and Cu{sup 2+} ions at the A sublattice. The NPD study for x = 0.4 shows that Al{sup 3+} ions are statistically distributed at the octahedral positions, being the (Mn,Al)O{sub 6} octahedra strongly tilted, with superexchange (Mn,Al)-O-(Mn,Al) angles of 142.1°. Also, neutron data clearly show that some Mn{sup 3+} ions (0.65(2) per formula) are located together with Cu{sup 2+} at the square-planar 6b positions. Regarding the magnetic properties, all the compounds present a spontaneous increase of the magnetization below T{sub C}, typical of ferro-or ferrimagnetic materials, with T{sub C} decreasing upon Al introduction. The magnetic structure determined from low-temperature NPD data unveils a ferromagnetic coupling between (Cu{sup 2+}, Mn{sup 3+}){sub 6b} spins and Mn{sub 8c} spins at octahedral positions; this is in contrast with the ferrimagnetic structure observed for RCu{sub 3}Mn{sub 4}O{sub 12} and CaCu{sub 3}Mn{sub 4}O{sub 12}, where an AFM coupling is observed between both magnetic sublattices. Interestingly, an enhancement of the magnetoresistance effect is observed for x = 0.2, well beyond that found for the parent compound. This effect, in materials subtly doped with non-magnetic elements at the Mn positions, may be of interest for applications.

Symmetry breaking and electrical conductivity of La0.7Sr0.3Cr0.4Mn0.6O3-δ perovskite as SOFC anode material

International Nuclear Information System (INIS)

Reyes-Rojas, A.; Alvarado-Flores, J.; Esparza-Ponce, H.; Esneider-Alcala, M.; Espitia-Cabrera, I.; Torres-Moye, E.

2011-01-01

Research highlights: → Perovskite-type La 0.7 Sr 0.3 Cr 0.4 Mn 0.6 O 3-δ -NiO nucleation kinetics. Symmetry-breaking by introducing Ni 2+ cations at 1050 deg. C. Phase transition from high temperature aristotype R3-bar c to hettotype I4/mmm. At low Ni concentration ρ resistivity decreases when increasing the temperature. For Ni concentration higher than 25% ρ resistivity increases. - Abstract: This work is focused on nanocrystalline solid oxide fuel cell synthesis and characterization (SOFC) anodes of La 0.7 Sr 0.3 Cr 0.4 Mn 0.6 O 3-δ (perovskite-type) with Nickel. Perovskite-type oxide chemical reactivity, nucleation kinetics and phase composition related with La 0.7 Sr 0.3 Cr 0.4 Mn 0.6 O 3-δ -NiO to La 0.7 Sr 0.3 Cr 0.4 Mn 0.6 O 3-δ -Ni transformation have been analyzed. SOFC anode powders were obtained by sol-gel synthesis, using polyvinyl alcohol as an organic precursor to get a porous cermet electrode after sintering at 1365 deg. C and oxide reduction by hydrogen at 800 deg. C/1050 deg. C for 8 h in a horizontal tubular reactor furnace under 10% H 2 /N 2 atmosphere. Composite powders were compressed into 10-mm diameter discs with 25-75 wt% Ni. Electrical and structural characterization by four-point probe method for conductivity, scanning electron microscopy (SEM), X-ray energy dispersive spectroscopy (EDS), X-ray diffraction (XRD), and Rietveld method were carried out. Symmetry-breaking by phase transition from high temperature aristotype R3-bar c to hettotype I4/mmm has been identified and confirmed by XRD and Rietveld method which can be produced by introducing Ni 2+ cations in the perovskite solid solution. Rietveld analysis suggests that Ni contents are directly proportional to La 0.7 Sr 0.3 Cr 0.4 Mn 0.6 NiO 3.95 tetragonal structure cell volume and inversely proportional to Ni cubic structure cell volume after reduction at 1050 deg. C. Kinetic analysis indicated that the Johnson-Mehl-Avrami equation is able to provide a good fit to phase

Mn-substituted perovskites RECoxMn1-xO3: a comparison between magnetic properties of LaCoxMn1-xO3 and GdCoxMn1-xO3

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Barahona, P.

2008-08-01

Full Text Available Cooperative phenomena constitute important mechanisms to explain the magnetic properties of the perovskite manganites REMnO3, in which the rare-earth and/or Mn is partially replaced by divalent elements. In this way, the manganese ion changes its valence state (Mn3+ Mn4+, triggering strong magnetic interactions. In this work we describe the case of GdCoxMn1-xO3 (0.0 ≤ x ≤ 1.0 for which the antiferromagnetic interaction between the Gd sublattice and the Mn/Co network leads to a reversal of the magnetic moment at low temperature. No inversion is observed for the LaCoxMn1-xO3 series, in which the ordering temperature may attain a maximum of 235 K for LaCo0.50Mn0.50O3, while it is only 120 K for similar Co/Mn ratio in the case of GdCo0.50Mn0.50O3. Magnetic properties are described in terms of two regimes: one, for x 3 manganite and another one, for x > 0.5, when Mn substitutes Co in the GdCoO3 cobaltite, while the magnetic interactions are maximized at x(Co = 0.50. This hypothesis is discussed in terms of the respective oxidation states of both manganese (Mn3+ / Mn4+ and cobalt (Co2+ / Co3+.El fenómeno cooperativo constituye un importante mecanismo para explicar las propiedades magnéticas de las perovskitas manganitas TRMnO3, en las que el catión de tierra rara, TR, y/o el catión Mn3+ son parcialmente reemplazados por cationes divalentes. Por esta vía el ión de manganeso cambia de estado de valencia (Mn3+ Mn4+, generando fuertes interacciones magnéticas. En el presente trabajo se describe el caso de las soluciones sólidas GdCoxMn1-xO3 (0.0 ≤ x ≤ 1.0 para las que la interacción antiferromagnética entre la subred del Gd3+ y la red Mn/Co lleva a una inversión del momento magnético a baja temperatura. No se ha observado inversión para la serie LaCoxMn1-xO3, en que la temperatura de orden puede alcanzar un máximo de 235K para LaCo0.50Mn0.50O3, mientras que en el caso de GdCo0.50Mn0.50O3, en que sí se observa inversión, la

New perovskite-based manganite Pb2Mn2O5

International Nuclear Information System (INIS)

Hadermann, Joke; Abakumov, Artem M.; Perkisas, Tyche; D'Hondt, Hans; Tan Haiyan; Verbeeck, Johan; Filonenko, Vladimir P.; Antipov, Evgeny V.; Van Tendeloo, Gustaaf

2010-01-01

A new perovskite based compound Pb 2 Mn 2 O 5 has been synthesized using a high pressure high temperature technique. The structure model of Pb 2 Mn 2 O 5 is proposed based on electron diffraction, high angle annular dark field scanning transmission electron microscopy and high resolution transmission electron microscopy. The compound crystallizes in an orthorhombic unit cell with parameters a=5.736(1) A∼√2a p , b=3.800(1) A∼a p , c=21.562(6) A∼4√2a p (a p -the parameter of the perovskite subcell) and space group Pnma. The Pb 2 Mn 2 O 5 structure consists of quasi two-dimensional perovskite blocks separated by 1/2[110] p (101) p crystallographic shear planes. The blocks are connected to each other by chains of edge-sharing MnO 5 distorted tetragonal pyramids. The chains of MnO 5 pyramids and the MnO 6 octahedra of the perovskite blocks delimit six-sided tunnels accommodating double chains of Pb atoms. The tunnels and pyramidal chains adopt two mirror-related configurations ('left' L and 'right' R) and layers consisting of chains and tunnels of the same configuration alternate in the structure according to an -L-R-L-R-sequence. The sequence is sometimes locally violated by the appearance of -L-L- or -R-R-fragments. A scheme is proposed with a Jahn-Teller distortion of the MnO 6 octahedra with two long and two short bonds lying in the a-c plane, along two perpendicular orientations within this plane, forming a d-type pattern. - Graphical abstract: Order of the Jahn-Teller distorted MnO 6 octahedra in Pb 2 Mn 2 O 5 . Two long and two short bonds lie in the a-c plane, along two perpendicular orientations within this plane, forming a d-type pattern.

Topotactic reduction as a route to new close-packed anion deficient perovskites: structure and magnetism of 4H-BaMnO(2+x).

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Hadermann, Joke; Abakumov, Artem M; Adkin, Josephine J; Hayward, Michael A

2009-08-05

The anion-deficient perovskite 4H-BaMnO(2+x) has been obtained by a topotactic reduction, with LiH, of the hexagonal perovskite 4H-BaMnO(3-x). The crystal structure of 4H-BaMnO(2+x) was solved using electron diffraction and X-ray powder diffraction and further refined using neutron powder diffraction (S.G. Pnma, a = 10.375(2) A, b = 9.466(2) A, c = 11.276(3) A, at 373 K). The orthorhombic superstructure arises from the ordering of oxygen vacancies within a 4H (chch) stacking of close packed c-type BaO(2.5) and h-type BaO(1.5) layers. The ordering of the oxygen vacancies transforms the Mn(2)O(9) units of face-sharing MnO(6) octahedra into Mn(2)O(7) (two corner-sharing tetrahedra) and Mn(2)O(6) (two edge-sharing tetrahedra) groups. The Mn(2)O(7) and Mn(2)O(6) groups are linked by corner-sharing into a three-dimensional framework. The structures of the BaO(2.5) and BaO(1.5) layers are different from those observed previously in anion-deficient perovskites providing a new type of order pattern of oxygen atoms and vacancies in close packed structures. Magnetization measurements and neutron diffraction data reveal 4H-BaMnO(2+x) adopts an antiferromagnetically ordered state below T(N) approximately 350 K.

Self-propagating high-temperature synthesis of Sr-doped LaMnO3 perovskite as oxidation catalyst

International Nuclear Information System (INIS)

Hirano, T.; Purwanto, H.; Watanabe, T.; Akiyama, T.

2007-01-01

Sr-doped LaMnO 3 perovskite oxide has been focused on as one of the alternative catalysts to precious metals such as platinum that are used for cleaning automotive emission gas. The conventional Solid-state reaction method is a popular productive process for perovskite oxide, however, it is time and energy consuming process because it requires repeated prolonged heat treatment at high temperatures. Therefore, the purposes of this work are to produce Sr-doped LaMnO 3 perovskite by using Self-propagating high-temperature synthesis (SHS) and experimentally examine the oxidation catalytic activity of the product for cleaning automotive emission gas. In the SHS, powders of La 2 O 3 , SrCO 3 , Mn and NaClO 4 were well mixed at the desired ratio and poured in a graphite crucible, where at one end it was ignited by using an electrically heated carbon foil. The wave of exothermic reaction due to oxidation of manganese propagated to the other end in a short time. The obtained products were characterized by means of XRD, FE-SEM, BET and particle size distribution analysis and then evaluated via catalytic oxidation tests by using propane in a fixed bed reactor at several temperatures. From the XRD analysis, the products had the desired composition of La 1-x Sr x MnO 3 (x = 0, 0.1, 0.2 and 0.4) perovskite, in which the replacing ratio x of La and Sr in the products was easily controlled by changing the mixing ratio of raw materials. The catalytic activity test showed that the samples exhibited good catalytic activity for propane oxidation over 200 deg. C , although the products had a relatively small surface area. SHS showed the potential for the production of a relatively inexpensive catalytic converter

Effect of A-site deficiency in LaMn{sub 0.9}Co{sub 0.1}O{sub 3} perovskites on their catalytic performance for soot combustion

Energy Technology Data Exchange (ETDEWEB)

Dinamarca, Robinson [Department of Physical Chemistry, Faculty of Chemical Sciences, University of Concepción, Concepción (Chile); Garcia, Ximena; Jimenez, Romel [Department of Chemical Engineering, Faculty of Engineering, University of Concepción, Concepción (Chile); Fierro, J.L.G. [Instituto de Catálisis y Petroleoquímica, CSIC, Cantoblanco, 28049 Madrid (Spain); Pecchi, Gina, E-mail: gpecchi@udec.cl [Department of Physical Chemistry, Faculty of Chemical Sciences, University of Concepción, Concepción (Chile)

2016-09-15

Highlights: • A-site defective perovskites increases the oxidation state of the B-cation. • Not always non-stoichiometric perovskites exhibit higher catalytic activity in soot combustion. • The highly symmetric cubic crystalline structure diminishes the redox properties of perovskites. - Abstract: The influence of lanthanum stoichiometry in Ag-doped (La{sub 1-x}Ag{sub x}Mn{sub 0.9}Co{sub 0.1}O{sub 3}) and A-site deficient (La{sub 1-x}Mn{sub 0.9}Co{sub 0.1}O{sub 3-δ}) perovskites with x equal to 10, 20 and 30 at.% has been investigated in catalysts for soot combustion. The catalysts were prepared by the amorphous citrate method and characterized by XRD, nitrogen adsorption, XPS, O{sub 2}-TPD and TPR. The formation of a rhombohedral excess-oxygen perovskite for Ag-doped and a cubic perovskite structure for an A-site deficient series is confirmed. The efficient catalytic performance of the larger Ag-doped perovskite structure is attributed to the rhombohedral crystalline structure, Ag{sub 2}O segregated phases and the redox pair Mn{sup 4+}/Mn{sup 3+}. A poor catalytic activity for soot combustion was observed with A-site deficient perovskites, despite the increase in the redox pair Mn{sup 4+}/Mn{sup 3+}, which is attributed to the cubic crystalline structure.

Structural phase transitions in the ordered double perovskite Sr2MnTeO6

International Nuclear Information System (INIS)

Ortega-San Martin, L; Chapman, J P; Hernandez-Bocanegra, E; Insausti, M; Arriortua, M I; Rojo, T

2004-01-01

The crystal structure of the ordered double perovskite Sr 2 MnTeO 6 has been refined at ambient temperature from high resolution neutron and x-ray powder diffraction data in the monoclinic space group P 12 1 /n 1 with a 5.7009(1) A, b = 5.6770(1) A, c = 8.0334(1) A and β = 90.085(1) deg. This represents a combination of in-phase (+) and out-of-phase (-) rotations of virtually undistorted MnO 6 and TeO 6 octahedra in the (-+) sense about the axes of the ideal cubic perovskite. High temperature x-ray powder diffraction shows three structural phase transitions at approximately 250, 550 and 675 deg. C, each corresponding to the disappearance of rotations about one of these axes. The first transition was analysed by differential scanning calorimetry and showed a thermal hysteresis with an enthalpy of 0.55 J g -1 . We propose the (P12 1 /n1 → I12/m1 → I4/m → Fm3barm) sequence of structural transitions which has not been previously reported for a double perovskite oxide

LaMn1-xFe xO3 and LaMn0.1-xFe0.90Mo x O3 perovskites: synthesis, characterization and catalytic activity in H2O2 reactions

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Fabiano Magalhães

2008-09-01

Full Text Available In this work two perovskites were prepared: LaMn1-xFe xO3, and LaMn0.1-x Fe0.90Mo xO3. XRD and Mössbauer spectroscopy suggest the formation of pure phase perovskite with the incorporation of Fe and Mo in the structure. The catalytic activity of these materials was studied in two reactions with H2O2: the decomposition to O2, and the oxidation of the model organic contaminant methylene blue. The perovskite composition strongly affects the catalytic activity, while Fe decreases the H2O2 decomposition Mo strongly improves dye oxidation.

Partial substitution of manganese with cerium in SrMnO_3 nano-perovskite catalyst. Effect of the modification on the catalytic combustion of dilute acetone

International Nuclear Information System (INIS)

Rezlescu, Nicolae; Rezlescu, Elena; Popa, Paul Dorin; Doroftei, Corneliu; Ignat, Maria

2016-01-01

Ultrafine SrMn_1_−_xCe_xO_3 (x = 0, 02) perovskites were prepared by self-combustion method and heat treatment at 1000 °C for 4 h. The structure and surface properties were investigated by X-ray powder diffraction, scanning electron microscopy (SEM), EDX spectroscopy, and BET analysis. The catalyst properties of the perovskite nanopowders were tested in the catalytic combustion of dilute acetone at atmospheric pressure. The results revealed that the partial substitution of Mn by Ce ions (x = 0.2) in perovskite structure of SrMnO_3 had significantly improved catalytic activity of the perovskite. The SrMn_0_._8Ce_0_,_2O_3 perovskite composition can be a good candidate for catalytic combustion of low concentration acetone (1–2‰ in air) at low temperatures. The acetone conversion over this catalyst exceeds 90% at 200 °C, whereas over SrMnO_3 it is only 50%. Compared with SrMnO_3, T_5_0 is decreased by 75 °C and T_9_0 is decreased by 70 °C. The enhancement of the catalytic activity at a Ce doping of 0.2 may be ascribed to smaller crystallite sizes, larger specific surface area and the presence of Ce and Mn cations with variable valence in the perovskite structure. - Highlights: • A non-conventional method was used to make nanostructured perovskite samples. • XRD study confirms perovskite structure and nanosize of crystallites. • EDX analyses confirm homogeneity and purity of the samples. • The catalytic testing was carried out in the flameless combustion of dilute acetone. • SrMn_0_._8Ce_0_._2O_3 perovskite can be a promising catalyst for acetone combustion at low temperature.

Tolerance factor rules for Sr1-x-yCaxBayMnO3 perovskites

International Nuclear Information System (INIS)

Dabrowski, B.; Chmaissem, O.; Mais, J.; Kolesnik, S.; Jorgensen, J.D.; Short, S.

2003-01-01

Synthesis of new perovskite Sr 1-x-y Ca x Ba y MnO 3-δ compounds is described in detail and dependence of their phase stability and structural distortions on the tolerance factor is discussed. Oxygen contents have been measured over extended temperature and composition ranges. Neutron powder diffraction was used to precisely measure the A-O and Mn-O bond lengths and derive accurate interatomic distances [Ca-O], [Sr-O], [Ba-O], and [Mn-O]. By using these parameters instead of tabulated ionic radii we have derived the functional dependence of the tolerance factor t=t(x,y,T,δ) on composition, temperature, and oxygen content. At a fixed oxygen content, the tolerance factor is an increasing function of temperature as a result of greater thermal expansion of the average bond relative to the bond. We find that the stability of the perovskite phase at high temperature is governed, as expected, by the magnitude of tolerance factor (t≤1) which can be adjusted by controlling the oxygen content 3-δ. This dependence of the tolerance factor on oxygen content and temperature can be utilized to design synthesis conditions for the controlled formation of the new, kinetically stable, perovskite phases

Carbon-Coated Perovskite BaMnO3 Porous Nanorods with Enhanced Electrocatalytic Perporites for Oxygen Reduction and Oxygen Evolution

International Nuclear Information System (INIS)

Xu, Yujiao; Tsou, Alvin; Fu, Yue; Wang, Jin; Tian, Jing-Hua; Yang, Ruizhi

2015-01-01

A thin carbon layer has been introduced to coat on the perovskite BaMnO 3 nanorods by a facile method, which exhibit significantly enhanced electrocatalytic activity for both the ORR and OER with excellent stability. - Highlights: • A non-rare-earth element based perovskite BaMnO 3 nanorods as an active electrocatalyst for the ORR and OER have been prepared and investigated for the first time. • A thin carbon-coating layer with thickness of approximately 10 nm has been successfully introduced to enhance the electrical conductivity and the electrocatalytic activities of the bare perovskite for both ORR and OER. • The stabilities of bare BaMnO 3 nanorods for both ORR and OER have also been improved dramatically with the help of carbon coating, especially for the OER process. - Abstract: Highly efficient, low-cost catalysts, especially with bifunctional electrocatalytic capabilities for both the oxygen reduction reaction (ORR) and oxygen evolution reaction (OER) are vital for the wide commercialization of fuel cells and metal-air batteries. In this study, BaMnO 3 - a non-rare-earth element based perovskite nanorods have been prepared and investigated for the first time, and a thin carbon-coating with a thickness of approximately 10 nm has been successfully introduced to enhance the electrical conductivity of the bare perovskite. Electrochemical tests reveal that bare BaMnO 3 nanorods exhibit very good catalytic activity. More interestingly, a remarkably enhanced ORR activity for the perovskite BaMnO 3 nanorods was observed after coating with a thin layer of carbon, which dominated with a direct four-electron pathway. Meanwhile, the OER process has also been enhanced extraordinarily with the carbon-coating, reaching a maximum of 14.8 mA cm −2 at 1.0 V (vs. Ag/AgCl), which is far superior to both the bare BaMnO 3 nanorods and commercial Pt/C (20 wt%) catalysts. Furthermore, the stabilities of bare BaMnO 3 nanorods for both ORR and OER have also been improved

Direct and indirect measurement of the magnetocaloric effect in a La0.6Ca0.4MnO3 ceramic perovskite

DEFF Research Database (Denmark)

Dinesen, A.R.; Linderoth, Søren; Mørup, Steen

2002-01-01

The adiabatic temperature change DeltaT(ad) due to a change of the external magnetic field (the magnetocaloric effect) for a perovskite-type La0.6Ca0.4MnO3 sample has been measured directly and indirectly (from the entropy change) and the results are compared. From the indirect method, involving...

Partial substitution of manganese with cerium in SrMnO{sub 3} nano-perovskite catalyst. Effect of the modification on the catalytic combustion of dilute acetone

Energy Technology Data Exchange (ETDEWEB)

Rezlescu, Nicolae, E-mail: nicolae.rezlescu@gmail.com [National Institute of Research and Development for Technical Physics, Iasi (Romania); Rezlescu, Elena; Popa, Paul Dorin; Doroftei, Corneliu [National Institute of Research and Development for Technical Physics, Iasi (Romania); Ignat, Maria [“Al. I. Cuza” University, Faculty of Chemistry, Iasi (Romania)

2016-10-01

Ultrafine SrMn{sub 1−x}Ce{sub x}O{sub 3} (x = 0, 02) perovskites were prepared by self-combustion method and heat treatment at 1000 °C for 4 h. The structure and surface properties were investigated by X-ray powder diffraction, scanning electron microscopy (SEM), EDX spectroscopy, and BET analysis. The catalyst properties of the perovskite nanopowders were tested in the catalytic combustion of dilute acetone at atmospheric pressure. The results revealed that the partial substitution of Mn by Ce ions (x = 0.2) in perovskite structure of SrMnO{sub 3} had significantly improved catalytic activity of the perovskite. The SrMn{sub 0.8}Ce{sub 0,2}O{sub 3} perovskite composition can be a good candidate for catalytic combustion of low concentration acetone (1–2‰ in air) at low temperatures. The acetone conversion over this catalyst exceeds 90% at 200 °C, whereas over SrMnO{sub 3} it is only 50%. Compared with SrMnO{sub 3}, T{sub 50} is decreased by 75 °C and T{sub 90} is decreased by 70 °C. The enhancement of the catalytic activity at a Ce doping of 0.2 may be ascribed to smaller crystallite sizes, larger specific surface area and the presence of Ce and Mn cations with variable valence in the perovskite structure. - Highlights: • A non-conventional method was used to make nanostructured perovskite samples. • XRD study confirms perovskite structure and nanosize of crystallites. • EDX analyses confirm homogeneity and purity of the samples. • The catalytic testing was carried out in the flameless combustion of dilute acetone. • SrMn{sub 0.8}Ce{sub 0.2}O{sub 3} perovskite can be a promising catalyst for acetone combustion at low temperature.

Crystal structure and magnetoresistance of La0.7Ca0.3MnO3 perovskite at room temperature

International Nuclear Information System (INIS)

Engkir Sukirman; Wisnu Ari Adi; Yustinus Purwamargapratala

2012-01-01

A comparative study on crystal structure and magnetoresistance (MR) of La 0.7 Ca 0.3 MnO 3 (LCMO) perovskite toward LaMnO 3 (LMO) and CaMnO 3 (CMO) parent compounds have been carried out to study the change of LCMO due to magnetic fields variations at room temperature. The LCMO, LMO and CMO were synthesized using high energy milling (HEM) method. The precursors obtained were pressed into pellet and sintered at T s = 1350°C for 6 hours. The qualitative analysis were conducted by x-rays diffraction technique using Rietveld method. The MR effect on the samples were measured using four point probe (FPP) method and the surface structure of pellets were observed by scanning electron microscope (SEM). The samples have the same crystal structure, namely orthorhombic, space group: Pnma, No. 62. The lattice parameters of LCMO were successfully confirmed until four decimal precision, namely a = 5.4851(3) Å, b = 7.7601(4) Å, c = 5.5185(2) Å. The lattice parameters for LMO and CMO successively are a = 5.4405(9) Å, b = 7.717(1) Å, c = 5.537(1) Å and a = 5.2973(6) Å, b = 7.477(1) Å, c = 5.281 (1) Å. All samples have grain diameter of around 1,000 nm with a globule like form and every grain consists of 27 crystallites. The MR for LCMO, LMO and CMO samples at room temperature are -10.1; -7.3 dan -12.3%, respectively, and comparable with the one of multilayers based GMR [Cu/NiFeCo] x10 /Ta. The LCMO perovskite bulk can be used to detect the magnetic microbeads and ferrofluid. (author)

Charge/orbital ordering structure in ordered perovskite Sm sub 1 sub / sub 2 Ba sub 1 sub / sub 2 MnO sub 3

CERN Document Server

Uchida, M; Akahoshi, D; Kumai, R; Tomioka, Y; Tokura, Y; Arima, T H

2002-01-01

In an A-site ordered perovskite manganite Sm sub 1 sub / sub 2 Ba sub 1 sub / sub 2 MnO sub 3 , a new charge/orbital ordering pattern was found at room temperature. Electron diffraction studies revealed a series of superlattice reflections with modulation vectors at q sub 2 =(1/2, 1/2, 1/2) as well as at q sub 1 =(1/4, 1/4, 0) in the tetragonal setting (a sub p x a sub p x 2a sub p , a sub p being the cubic perovskite lattice parameter). Together with the results of the resonant X-ray scattering and the charge-transport and magnetization measurements, a new model for the three-dimensional charge/orbital ordering in the ordered perovskite is proposed. (author)

Local structure in LaMnO3 and CaMnO3 perovskites: A quantitative structural refinement of Mn K-edge XANES data

International Nuclear Information System (INIS)

Monesi, C.; Meneghini, C.; Bardelli, F.; Benfatto, M.; Mobilio, S.; Manju, U.; Sarma, D.D.

2005-01-01

Hole-doped perovskites such as La 1-x Ca x MnO 3 present special magnetic and magnetotransport properties, and it is commonly accepted that the local atomic structure around Mn ions plays a crucial role in determining these peculiar features. Therefore experimental techniques directly probing the local atomic structure, like x-ray absorption spectroscopy (XAS), have been widely exploited to deeply understand the physics of these compounds. Quantitative XAS analysis usually concerns the extended region [extended x-ray absorption fine structure (EXAFS)] of the absorption spectra. The near-edge region [x-ray absorption near-edge spectroscopy (XANES)] of XAS spectra can provide detailed complementary information on the electronic structure and local atomic topology around the absorber. However, the complexity of the XANES analysis usually prevents a quantitative understanding of the data. This work exploits the recently developed MXAN code to achieve a quantitative structural refinement of the Mn K-edge XANES of LaMnO 3 and CaMnO 3 compounds; they are the end compounds of the doped manganite series La x Ca 1-x MnO 3 . The results derived from the EXAFS and XANES analyses are in good agreement, demonstrating that a quantitative picture of the local structure can be obtained from XANES in these crystalline compounds. Moreover, the quantitative XANES analysis provides topological information not directly achievable from EXAFS data analysis. This work demonstrates that combining the analysis of extended and near-edge regions of Mn K-edge XAS spectra could provide a complete and accurate description of Mn local atomic environment in these compounds

Perovskite oxides La0.4Sr0.6CoxMn1-xO3 (x = 0, 0.2, 0.4 as an effective electrocatalyst for lithium—air batteries

Directory of Open Access Journals (Sweden)

Yajun Zhao

2018-01-01

Full Text Available Co-doped perovskite oxide La0.4Sr0.6CoxMn1-xO3 (x = 0, 0.2, 0.4 composites are prepared by sol–gel method utilizing citric acid as chelating agent. These composites show good catalytic activities when tested as catalysts rechargeable lithium—air batteries. In particular, the La0.4Sr0.6Co0.4Mn0.6O3 shows a lower potential gap. When these samples are tested as catalysts for Li—air batteries at a current density of 100 mA g−1, the discharge capacities with different La0.4Sr0.6CoxMn1-xO3 (x = 0, 0.2, 0.4 catalysts are 5819, 6420, and 7227 mA h g−1, respectively. In addition, under a capacity limitation of 1000 mA h g−1, the cell using La0.4Sr0.6Co0.4Mn0.6O3 as catalyst shows good cycling stability up to 46 cycles. The good electrochemical performance suggests that suitable doping of Co in Mn site of La0.4Sr0.6MnO3 could be a promising route to improve the catalytic activity.

One-pot electrospinning and gas-sensing properties of LaMnO3 perovskite/SnO2 heterojunction nanofibers

Science.gov (United States)

Chen, Dongdong; Yi, Jianxin

2018-03-01

Using nanostructured composite materials is an effective way to obtain high-performance gas sensors. This work used p-type LaMnO3 perovskite-structured semiconductor as a novel promoter for SnO2 nanofibers and studied the gas-sensing characteristics. Nanofibers of 0-2.5-mol% LaMnO3/SnO2 were synthesized via one-pot electrospinning. Compared with pristine SnO2, LaMnO3/SnO2 composite nanofibers exhibited smaller particle size (10-30 nm) and higher BET surface area. XPS revealed that oxygen surface absorption decreased with increasing LaMnO3 content. 0.3-mol% LaMnO3/SnO2 exhibited significantly enhanced ethanol sensitivity relative to pristine SnO2. A response of 20 was obtained at the optimum temperature of 260 °C for 100-ppm ethanol. Higher LaMnO3 loading led to decrease of the ethanol response. The impact of LaMnO3 loading on the sensing behavior of SnO2 nanofibers was discussed in terms of p-n heterojunction formation and changes in the microstructure and catalytic properties.

Crystalline behaviour and electrical properties of manganese perovskites substituted on A or B sites: ErMnO₃ modified by Ca and EuMnO₃ modified by Co

Directory of Open Access Journals (Sweden)

Tartaj, J.

2010-06-01

Full Text Available The structural and electrical features of the manganites solid solutions (Er,CaMnO₃ and Eu(Co,MnO₃, have been studied by X-ray diffraction and conductivity measurements. Powders were prepared by solid-state reaction between the component oxides and Calcium carbonate. Incorporation of Co²⁺ on the lattice in the B sites or the Ca²⁺ on the A sites leads to changes in the parameters and symmetry of the perovskite compound EuMnO₃ and hexagonal ErMnO₃ respectively. The phase transition depends on the amount of substituted Jahn-Teller Mn³⁺ cations. Solid solutions based on Eu(Mn,CoO₃ perovskite compound change from O’-type to O-type orthorhombic perovskite symmetry when the Mn³⁺ cation amount decreases, because of the progressive substitution by Co. This transition occurs for an amount of Co²⁺ as low as ~10 at% Co²⁺ cation. The (Er,CaMnO₃ based solid solutions showed a different behaviour. From x=0.25 there is a change in the symmetry of the solid solution from hexagonal to orthorhombic, O’-type perovskite. Steric influence seems to play a secondary role on the lattice distortion of manganites. Sintered samples of the perovskite solid solutions were measured for establishing their electrical properties. All the samples showed semiconducting behaviour.

Las características estructurales y eléctricas de las soluciones sólidas de manganitas (Er,CaMnO₃ y Eu(Co,MnO₃, han sido estudiadas por difracción de rayos X y medidas de la conductividad en continua. Los polvos fueron preparados por reacción en estado sólido entre los óxidos componentes y carbonato de calcio. La incorporación de Co²⁺ en la red en los sitios B o de Ca²⁺ en los sitios A conduce a cambios en los parámetros y la simetría de EuMnO₃ perovskita y ErMnO₃ hexagonal, respectivamente

Anisotropic magnetic structures of the Mn R MnSbO6 high-pressure doubly ordered perovskites (R =La , Pr, and Nd)

Science.gov (United States)

Solana-Madruga, Elena; Arévalo-López, Ángel M.; Dos santos-García, Antonio J.; Ritter, Clemens; Cascales, Concepción; Sáez-Puche, Regino; Attfield, J. Paul

2018-04-01

A new type of doubly ordered perovskite (also reported as double double perovskite, DDPv) structure combining columnar and rock-salt orders of the cations at the A and B sites, respectively, was recently found at high pressure for Mn R MnSb O6 (R =La -Sm ). Here we report further magnetic structures of these compounds. M n2 + spins align into antiparallel ferromagnetic sublattices along the x axis for MnLaMnSb O6 , while the magnetic anisotropy of P r3 + magnetic moments induces their preferential order along the z direction for MnPrMnSb O6 . The magnetic structure of MnNdMnSb O6 was reported to show a spin-reorientation transition of M n2 + spins from the z axis towards the x axis driven by the ordering of N d3 + magnetic moments. The crystal-field parameters for P r3 + and N d3 + at the 4 e C2 site of their DDPv structure have been semiempirically estimated and used to derive their energy levels and associated wave functions. The results demonstrate that the spin-reorientation transition in MnNdMnSb O6 arises as a consequence of the crystal-field-induced magnetic anisotropy of N d3 + .

Residual tensile stresses and piezoelectric properties in BiFeO3-Bi(Zn1/2Ti1/2O3-PbTiO3 ternary solid solution perovskite ceramics

Directory of Open Access Journals (Sweden)

Weilin Zheng

2016-08-01

Full Text Available For low dielectric loss perovskite-structured (1-x-yBiFeO3-xBi(Zn1/2Ti1/2O3-yPbTiO3 (BF-BZT-PT (x = 0.04-0.15 and y = 0.15-0.26 ceramics in rhombohedral/tetragonal coexistent phase, structural phase transitions were studied using differential thermal analyzer combined with temperature-dependent dielectric measurement. Two lattice structural phase transitions are disclosed in various BF-BZT-PT perovskites, which is different from its membership of BiFeO3 exhibiting just one lattice structural phase transition at Curie temperature TC= 830oC. Consequently, residual internal tensile stresses were revealed experimentally through XRD measurements on ceramic pellets and counterpart powders, which are reasonably attributed to special structural phase transition sequence of BF-BZT-PT solid solution perovskites. Low piezoresponse was observed and argued extrinsically resulting from residual tensile stresses pinning ferroelectric polarization switching. Post-annealing and subsequent quenching was found effective for eliminating residual internal stresses in those BZT-less ceramics, and good piezoelectric property of d33 ≥ 28 pC/N obtained for 0.70BF-0.08BZT-0.22PT and 0.05 wt% MnO2-doped 0.70BF-0.04BZT-0.26PT ceramics with TC ≥ 640oC, while it seemed no effective for those BZT-rich BF-BZT-PT ceramics with x = 0.14 and 0.15 studied here.

Monte Carlo simulation study of magnetocaloric effect in NdMnO{sub 3} perovskite

Energy Technology Data Exchange (ETDEWEB)

Masrour, R., E-mail: rachidmasrour@hotmail.com [Laboratory of Materials, Processes, Environment and Quality, Cady Ayyed University, National School of Applied Sciences, PB 63 46000 Safi (Morocco); Laboratoire de Magnétisme et Physique des Hautes Energies L.M.P.H.E.URAC 12, Université Mohammed V, Faculté des Sciences, B.P. 1014, Rabat (Morocco); Jabar, A. [Laboratoire de Magnétisme et Physique des Hautes Energies L.M.P.H.E.URAC 12, Université Mohammed V, Faculté des Sciences, B.P. 1014, Rabat (Morocco); Benyoussef, A. [Laboratoire de Magnétisme et Physique des Hautes Energies L.M.P.H.E.URAC 12, Université Mohammed V, Faculté des Sciences, B.P. 1014, Rabat (Morocco); Institute of Nanomaterials and Nanotechnologies, MAScIR, Rabat (Morocco); Hassan II Academy of Science and Technology, Rabat (Morocco); Hamedoun, M. [Institute of Nanomaterials and Nanotechnologies, MAScIR, Rabat (Morocco); Hlil, E.K. [Institut Curie, CNRS et Université Joseph Fourier, BP 166, F-38042 Grenoble Cedex 9 (France)

2016-03-01

The magnetocaloric effect in NdMnO{sub 3} perovskite is investigated by using the Monte Carlo simulations. The Curie temperature T{sub C} of NdMnO{sub 3} compound is deduced from the variation of the magnetization vs. the temperature with different values of external magnetic field. The variation of magnetization with the external magnetic field H is given. The specific heat with the temperature is established for different external magnetic field. The thermal magnetic entropy for different external magnetic field and different exchange interactions in NdMnO{sub 3} compound is obtained. The adiabatic temperature change is obtained. The relative cooling power with different external magnetic field is established. The magnetocaloric effect has been investigated from magnetization. - Highlights: • Results obtained show that the PM–FM transition is of second order in NdMnO{sub 3}. • Critical properties of NdSi at the FM–PM transition have been analyzed. • The Curie temperature and magnetic entropy have been obtained.

Optical properties of white organic light-emitting devices fabricated utilizing a mixed CaAl12O19:Mn4+ and Y3Al5O12:Ce3+ color conversion layer.

Science.gov (United States)

Jeong, H S; Kim, S H; Lee, K S; Jeong, J M; Yoo, T W; Kwon, M S; Yoo, K H; Kim, T W

2013-06-01

White organic light-emitting devices (OLEDs) were fabricated by combining a blue OLED with a color conversion layer made of mixed Y3Al5O12:Ce3+ green and Ca2AlO19:Mn4+ red phosphors. The X-ray diffraction patterns showed that Ce3+ ions in the Y3Al5O12:Ce3+ phosphors completely substituted for the Y3+ ions and the Mn4+ ions in the CaAl12O19:Mn4+ phosphors completely substituted for the Ca2+ ions. Electroluminescence spectra at 11 V for the OLEDs fabricated utilizing a color conversion layer showed that the Commission Internationale de l'Eclairage coordinates for the Y3Al5O12:Ce3+ and CaAl12O19:Mn4+ phosphors mixed at the ratio of 1:5 and 1:10 were (0.31, 0.34) and (0.32, 0.37), respectively, indicative of a good white color.

Effects of cationic substitution on the electronic and magnetic properties of manganocuprate with a layered Eu3Ba2Mn2Cu2O12 structure

International Nuclear Information System (INIS)

Matsubara, Ichiro; Funahashi, Ryoji; Ueno, Kazuo; Ishikawa, Hiroshi; Kida, Noriaki; Ohno, Nobuhito

1998-01-01

Systematic studies on the effect of substitutions on the layered manganocuprate Eu 3 Ba 2 Mn 2 Cu 2 O 12 have been conducted. To introduce holes, the authors have made substitutions of Ca for Eu and/or Sc for Mn, (Eu 3-x Ca x )Ba 2 (Mn 2-y Sc y )Cu 2 O 12 . Single-phase compounds are obtained over a fairly wide range of x and y values for x ≤ 0.7 (y = 0), x ≤ 0.5 (y = 0.5), and x ≤ 0.1 (y = 1.0). The doped holes are received predominantly at the Mn-O site and change the charge of Mn from 3+ to 4+, and no superconductivity has been obtained for any sample. The electronic ground state of (Eu 3-x Ca x )Ba 2 (Mn 2-y Sc y )Cu 2 O 12 is discussed by comparing with that of the three-dimensional perovskite La 1-x Ca x MnO 3 and K 2 NiF 4 -type La 1-x Sr 1+x MnO 4 compounds. The substitution of Sr for Ba gives rise to a different crystal structure, the Sr 3 Ti 2 O 7 structure

Crystal and magnetic study of the disordered perovskites Ca(Mn0.5Sb0.5)O3 and Ca(Fe0.5Sb0.5)O3

International Nuclear Information System (INIS)

Retuerto, M.; Martinez-Lope, M.J.; Garcia-Hernandez, M.; Munoz, A.; Fernandez-Diaz, M.T.; Alonso, J.A.

2010-01-01

We have investigated the double perovskites Ca 2 MSbO 6 (M = Mn, Fe) that have been prepared by solid-state reaction (M = Fe) and wet chemistry procedures (M = Mn). The crystal and magnetic structures have been studied from X-ray (XRD) and neutron powder diffraction (NPD) data. Rietveld refinements show that the crystal structures are orthorhombic (space group Pbnm) with complete disorder of M and Sb cations, so the formula should be rewritten as Ca(M 0.5 Sb 0.5 )O 3 . Due to this disorder no evidences of Jahn-Teller distortion can be observed in the MnO 6 octahedra of Ca(Mn 0.5 Sb 0.5 )O 3 , in contrast with the ordered double perovskite Sr 2 MnSbO 6 . Ca(Fe 0.5 Sb 0.5 )O 3 behaves as an antiferromagnet with an ordered magnetic moment for Fe 3+ of 1.53(4)μ B and a propagation vector k = 0, as investigated by low-temperature NPD. The antiferromagnetic ordering is a result of the high degree of Fe/Sb anti-site disorder of the sample, which originates the spontaneous formation of Fe-rich islands, characterized by the presence of strong Fe-O-Fe antiferromagnetic couplings with enough long-range coherence to produce a magnetic contribution perceptible by NPD. By contrast, the magnetic structure of Ca(Mn 0.5 Sb 0.5 )O 3 cannot be observed by low-temperature NPD because the magnitude of the ordered magnetic moments is below the detection threshold for neutrons.

Role of strained nano-regions in the formation of subgrains in CaCu3Ti4O12

Science.gov (United States)

Fang, Tsang-Tse; Wang, Yong-Huei; Kuo, Jui-Chao

2011-07-01

Single-phase CaCu3Ti4O12 (CCTO) was synthesized by solid-state reaction. Electron backscatter diffraction, scanning electron microscopy, and atomic force microscopy were adopted to characterize the grain orientation, microstructure, and surface morphology of the CCTO samples with or without thermal etching. Bump strained nano-regions induced by the local compositional disorder at a nano-scale have been discovered, being the origin of the formation of subgrains in CCTO. The proposed mechanism for the formation of subgrains involves the formation of etched pits and subboundaries pertaining to the strained nano-regions rather than dislocation displacement. The dielectric response inside the grains of CCTO relevant to the strained nano-regions is also discussed.

Experimental and numerical investigation of a ceramic dielectric resonator (DRA): CaCu3Ti4O12 (CCTO)

International Nuclear Information System (INIS)

Almeida, A.F.L.; Silva, R.R.; Rocha, H.H.B.; Fechine, P.B.A.; Cavalcanti, F.S.A.; Valente, M.A.; Freire, F.N.A.; Sohn, R.S.T.M.

2008-01-01

In this study, the CaCu 3 Ti 4 O 12 (CCTO) ceramic phase was synthesized by microwave heating in a much shorter time compared to the conventional heating methods. The results indicate that microwave processing is a promising method for preparing CCTO ceramics. CCTO was prepared using a domestic microwave oven operated at 2.45 GHz with 800 W. After a few minutes of microwave irradiation the formation of CCTO was confirmed by X-ray powder diffraction. The CCTO ceramic was studied in the medium-frequency (MF) range (100 Hz-1 MHz) and in the microwave range of frequencies. The experimental and theoretical characteristics of the dielectric resonator antenna are investigated

Electronic structure and chemical bonding in La1-x Sr x MnO3 perovskite ceramics

Science.gov (United States)

Thenmozhi, N.; Sasikumar, S.; Sonai, S.; Saravanan, R.

2017-04-01

This study reports on the synthesis of La1-x Sr x MnO3 (x  =  0.3, 0.4 and 0.5) manganites by high temperature solid state reaction method using lanthanum oxide, strontium carbonate and manganese oxide as starting materials. The synthesized samples were characterized by XRD, UV-vis, SEM/EDS and VSM. Structural characterization shows that all the prepared samples have the perovskite rhombohedral structure. Influence of Sr doping on electron density distributions in the lattice structure of LaMnO3 were analyzed through maximum entropy method (MEM). Cell parameters are found to be decreasing with the addition of Sr content. The qualitative and quantitative analysis by MEM reveals that, incorporation of Sr into LaMnO3 lattice enhances the ionic nature between La and O ions and decreases the covalent nature between Mn and O ions. Optical band gap values are determined from the UV-visible absorption spectra. Particles with polygonal form are observed from the SEM micrographs. The elemental compositions of the synthesized samples are confirmed by EDS. The magnetic properties studied from the M-H plot taken at room temperature indicated that, the prepared samples are exhibited ferromagnetic behavior.

Magnetoresistance effect in perovskite-like RCu3Mn4O12 (R - rare earth ion, Th)

International Nuclear Information System (INIS)

Lobanovskij, L.S.; Troyanchuk, I.O.; Trukhanov, S.V.; Pastushonok, S.N.; Pavlov, V.I.

2003-01-01

The study on the electric properties and magnetoresistance effect in the RCu 3 Mn 4 O 12 (where R is the rare-earth ion, Th) is carried out. It is established that all the compositions of the given series demonstrate the magnetoresistive effect, the value whereof at the liquid nitrogen temperature reaches 20% in the field 0.9 T. The increase in the magnetoresistance with the temperature decrease and high sensitivity to the weak magnetic fields at low temperatures indicate that this effect is intergranular. The peak of the magnetoresistance is identified near the Curie temperature (T C ). It is supposed that the degree of the magnetoresistance near the temperature of the magnetic ordering depends on the conditions of the samples synthesis and the effect of the intergranular interlayer on the transport properties of these compositions [ru

Sodium storage capability of spinel Li4Mn5O12

International Nuclear Information System (INIS)

Zhang, Jiaolong; Wang, Wenhui; Li, Yingshun; Yu, Denis Y.W.

2015-01-01

Highlights: • Electrochemical behavior of spinel Li 4 Mn 5 O 12 is examined in Na-ion battery. • A capacity of 120.7 mAh g −1 is obtained during the first sodiation process. • Na storage performance is found to be strongly dependent on particle size. • Ion-exchange between Li ions and Na ions occurs in Li 4 Mn 5 O 12 structure upon cycling. • Loss of crystallinity with cycling, leading to capacity fading. - Abstract: Spinel Li 4 Mn 5 O 12 , a well-known 3 V Li-ion battery (LIB) material with excellent cycling stability and good rate capability, is examined as Na-ion battery (NIB) cathode for the first time. Electrochemical studies clearly show that Na ions can be reversibly inserted into and extracted from the three-dimensional spinel structure. However, unlike in LIB, the available capacity in NIB is strongly dependent on the particle size and current rate due to the sluggish Na-ion transport in solid phase. Cycle performance of Li 4 Mn 5 O 12 in NIB is also inferior to that in LIB. Ex-situ X-ray diffraction study indicates a gradual loss of crystallinity with cycling, and that the crystal lattice undergoes an irreversible expansion during the initial 20 cycles. Inductively coupled plasma spectroscopy shows a decrease of Li/Mn ratio in Li 4 Mn 5 O 12 with cycling. The results suggest that Li ions are removed from the material during the charging process. The charge-discharge mechanism is also discussed in the paper.

Preparation and characterization of the non-stoichiometric La–Mn perovskites

International Nuclear Information System (INIS)

Gao, Zhiming; Wang, Huishu; Ma, Hongwei; Li, Zhanping

2015-01-01

Six La–Mn oxide samples with La/Mn atomic ratio x = 1.03–0.56 (denoted as sample LaxMn) were prepared by the citrate method with calcination at 700 °C for 5 h, and characterized by X-ray diffraction (XRD), N 2 adsorption–desorption, temperature programmed reduction (TPR) and X-ray photoelectron spectroscopy (XPS). It is confirmed that the four samples with La/Mn atomic ratio at 1.03–0.72 are all single phase perovskites by XRD patterns. Lattice parameters of the perovskites are varying with the La/Mn atomic ratio. As the La/Mn atomic ratio further lowers to 0.63 and 0.56, Mn 3 O 4 phase is formed besides the main phase of perovskite. Lattice vacancy at the A-sites of the perovskites is present for all the six samples, and there are an appreciable number of Mn 4+ ions in the perovskite crystal according to the refinement results of the Rietveld method. XPS analyses indicate that Mn ions are enriched on the surfaces of all the samples. In addition, catalytic activity for methane oxidation is in an order of sample La 0.89 Mn > La 1.03 Mn > La 0.81 Mn > La 0.72 Mn > La 0.63 Mn > La 0.56 Mn. - Highlights: • The samples with La/Mn atomic ratio at 1.03–0.72 are single phase perovskites. • Cationic lattice vacancies are present in the perovskite crystal of the samples. • Surface of the samples is enriched by Mn ions. • The sample La 0.89 Mn is most catalytically active for methane oxidation

Microstructure and electric characteristics of AETiO3 (AE=Mg, Ca, Sr doped CaCu3Ti4O12 thin films prepared by the sol–gel method

Directory of Open Access Journals (Sweden)

Dong Xu

2015-10-01

Full Text Available This paper focuses on the effects of alkline-earth metal titante AETiO3 (AE=Mg, Ca, Sr doping on the microstructure and electric characteristics of CaCu3Ti4O12 thin films prepared by the sol–gel method. The results showed that the grain size of CCTO thin films could be increased by MgTiO3 doping. The movement of the grain boundaries was impeded by the second phases of CaTiO3 and SrTiO3 concentrating at grain boundaries in CaTiO3 and SrTiO3 doped CCTO thin films. Rapid ascent of dielectric constant could be observed in 0.1Mg TiO3 doped CCTO thin films, which was almost as three times high as pure CCTO thin film and the descent of the dielectric loss at low frequency could also be observed. In addition, the nonlinear coefficient (α, threshold voltage (VT and leakage current (IL of AETiO3 doped CCTO thin films (AE=Mg, Ca, Sr showed different variation with the increasing content of the MgTiO3, CaTiO3 and SrTiO3.

Isotropic Kink and Quasiparticle Excitations in the Three-Dimensional Perovskite Manganite La_{0.6}Sr_{0.4}MnO_{3}.

Science.gov (United States)

Horiba, Koji; Kitamura, Miho; Yoshimatsu, Kohei; Minohara, Makoto; Sakai, Enju; Kobayashi, Masaki; Fujimori, Atsushi; Kumigashira, Hiroshi

2016-02-19

In order to reveal the many-body interactions in three-dimensional perovskite manganites that show colossal magnetoresistance, we performed an in situ angle-resolved photoemission spectroscopy on La_{0.6}Sr_{0.4}MnO_{3} and investigated the behavior of quasiparticles. We observed quasiparticle peaks near the Fermi momentum in both the electron and the hole bands, and clear kinks throughout the entire hole Fermi surface in the band dispersion. This isotropic behavior of quasiparticles and kinks suggests that polaronic quasiparticles produced by the coupling of electrons with Jahn-Teller phonons play an important role in the colossal magnetoresistance properties of the ferromagnetic metallic phase of three-dimensional manganites.

Influence of interface point defect on the dielectric properties of Y doped CaCu3Ti4O12 ceramics

Directory of Open Access Journals (Sweden)

Jianming Deng

2016-03-01

Full Text Available CaCu3Ti4−xYxO12 (0≤x≤0.12 ceramics were fabricated with conventional solid-state reaction method. Phase structure and microstructure of prepared ceramics were characterized by X-ray diffraction (XRD and scanning electron microscopy (SEM, respectively. The impedance and modulus tests both suggested the existence of two different relaxation behavior, which were attributed to bulk and grain boundary response. In addition, the conductivity and dielectric permittivity showed a step-like behavior under 405K. Meanwhile, frequency independence of dc conduction became dominant when above 405K. In CCTO ceramic, rare earth element Y3+ ions as an acceptor were used to substitute Ti sites, decreasing the concentration of oxygen vacancy around grain-electrode and grain boundary. The reason to the reduction of dielectric behavior in low frequencies range was associated with the Y doping in CCTO ceramic.

A better ferrimagnetic half-metal LuCu{sub 3}Mn{sub 4}O{sub 12}: Predicted from first-principles investigation

Energy Technology Data Exchange (ETDEWEB)

Lv Shuhui; Li Hongping [State Key Laboratory of Rare Earth Resource Utilization, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, Changchun 130022 (China); Graduate School, Chinese Academy of Sciences, Beijing 100049 (China); Han Deming; Wu Zhijian [State Key Laboratory of Rare Earth Resource Utilization, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, Changchun 130022 (China); Liu Xiaojuan, E-mail: lxjuan@ciac.jl.c [State Key Laboratory of Rare Earth Resource Utilization, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, Changchun 130022 (China); Meng Jian, E-mail: jmeng@ciac.jl.c [State Key Laboratory of Rare Earth Resource Utilization, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, Changchun 130022 (China)

2011-03-15

Electronic structure calculations based on density functional theory (DFT) within the generalized gradient approximation (GGA) and GGA+U for manganite cuprate compound LuCu{sub 3}Mn{sub 4}O{sub 12} have been performed, using the full-potential linearized augmented plane wave method. The calculated results indicate that LuCu{sub 3}Mn{sub 4}O{sub 12} is ferrimagnetic and half-metallic in both GGA and GGA+U calculations. The minority-spin band gap is 0.7 eV within GGA, which is larger than that of LaCu{sub 3}Mn{sub 4}O{sub 12} (0.3 eV), indicating its better half-metallicity. Further, the minority-spin gap enlarges from 0.7 to 2.8 eV with U taken into account, and simultaneously the Fermi level being shifted to the middle of the gap, making the half-metallic energy gap to be 1.21 eV. These results demonstrate that electronic correlation effect enhances the stability of half-metallic property. These facts make this system interesting candidates for applications in spintronic devices. - Research highlights: The electronic and magnetic properties of LuCu{sub 3}Mn{sub 4}O{sub 12} are analyzed. Both GGA and GGA+U methods are reported and compared. A better half-metal LuCu{sub 3}Mn{sub 4}O{sub 12} is obtained with large half-metallic gap. The results agree very well with the experimental data.

Characterisation of Pb(Mn{sub 1/3}Nb{sub 2/3})O{sub 3} ceramics by SEM, XRD, XPS and dielectric permittivity tests

Energy Technology Data Exchange (ETDEWEB)

Molak, A. [Institute of Physics, University of Silesia, Ul. Uniwersytecka 4, PL-40-007 Katowice (Poland)]. E-mail: molak@us.edu.pl; Talik, E. [Institute of Physics, University of Silesia, Ul. Uniwersytecka 4, PL-40-007 Katowice (Poland); Kruczek, M. [Institute of Physics, University of Silesia, Ul. Uniwersytecka 4, PL-40-007 Katowice (Poland); Paluch, M. [Institute of Physics, University of Silesia, Ul. Uniwersytecka 4, PL-40-007 Katowice (Poland); Ratuszna, A. [Institute of Physics, University of Silesia, Ul. Uniwersytecka 4, PL-40-007 Katowice (Poland); Ujma, Z. [Institute of Physics, University of Silesia, Ul. Uniwersytecka 4, PL-40-007 Katowice (Poland)

2006-03-15

The Pb(Mn{sub 1/3}Nb{sub 2/3})O{sub 3} ceramics has been obtained from oxides by sintering in air, using a two-stage process with precursor columbite-like (Mn{sub 0.5}Nb)O{sub 3} phase. The PbO oxide was added in the second stage. Analysis of the X-ray diffraction pattern shows that the ceramics consist of 91% of major perovskite phase. A monoclinic distortion of the perovskite structure was found. The cell parameters are a = 12.193(3) A, b = 11.966(6) A, c 12.144(2) A, {beta} = 90{sup o}10.7'. The microanalysis made with SEM exhibited fluctuation in chemical composition of the perovskite phase. Precipitation of MnO{sub 2}, PbO and the Pb-Mn-Nb-O phase different from perovskite was found. The X-ray photoelectron spectroscopy was used to study the electronic structure of the Pb(Mn{sub 1/3}Nb{sub 2/3})O{sub 3} ceramics. The core levels of lead, manganese, niobium and oxygen were measured. The shape of valence band ridge is influenced by Mn 3d states. The real average chemical composition obtained from the XPS measurement is Pb{sub 0.99}(Mn{sub 0.42}Nb{sub 0.67})O{sub 2.92}. Broadband dielectric measurement was carried out in 10{sup -2} to 10{sup 6} Hz and within 80-700 K ranges. The dominant relaxation process exhibits characteristic times typical for ionic processes {tau} {sub 0,H} = 1 x 10{sup -11} s for the higher temperature range and, {tau} {sub 0,L} = 1 x 10{sup -9} s for lower temperatures. The activation energy of relaxation process, E {sub M,H} = 0.43 eV and E {sub M,L} = 0.34 eV corresponds to activation energy of electric conductivity. The dielectric relaxation is ascribed to dipoles created by oxygen vacancies and/or Mn-V {sub O} complexes.

Tunable thermodynamic activity of La x Sr1-x Mn y Al1-y O3-δ (0 ≤ x ≤ 1, 0 ≤ y ≤ 1) perovskites for solar thermochemical fuel synthesis.

Science.gov (United States)

Ezbiri, M; Takacs, M; Theiler, D; Michalsky, R; Steinfeld, A

2017-02-28

Nonstoichiometric metal oxides with variable valence are attractive redox materials for thermochemical and electrochemical fuel processing. To guide the design of advanced redox materials for solar-driven splitting of CO 2 and/or H 2 O to produce CO and/or H 2 (syngas), we investigate the equilibrium thermodynamics of the La x Sr 1- x Mn y Al 1- y O 3- δ perovskite family (0 ≤ x ≤ 1, 0 ≤ y ≤ 1) and La 0.6 Ca 0.4 Mn 0.8 Al 0.2 O 3- δ , and compare them to those of CeO 2 as the baseline. Oxygen nonstoichiometry measurements from 1573 to 1773 K and from 0.206 to 180 mbar O 2 show a tunable reduction extent, increasing with increasing Sr content. Maximal nonstoichiometry of 0.32 is established with La 0.2 Sr 0.8 Mn 0.8 Al 0.2 O 3- δ at 1773 K and 2.37 mbar O 2 . As a trend, we find that oxygen capacities are most sensitive to the A-cation composition. Partial molar enthalpy, entropy and Gibbs free energy changes for oxide reduction are extracted from the experimental data using defect models for Mn 4+ /Mn 3+ and Mn 3+ /Mn 2+ redox couples. We find that perovskites exhibit typically decreasing enthalpy changes with increasing nonstoichiometries. This desirable characteristic is most pronounced by La 0.6 Sr 0.4 Mn 0.4 Al 0.6 O 3- δ , rendering it attractive for CO 2 and H 2 O splitting. Generally, perovskites show lower enthalpy and entropy changes than ceria, resulting in more favorable reduction but less favorable oxidation equilibria. The energy penalties due to larger temperature swings and excess oxidants are discussed in particular. Using electronic structure theory, we conclude with a practical methodology estimating thermodynamic activity to rationally design perovskites with variable stoichiometry and valence.

Giant dielectric response in (Sr, Sb) codoped CaCu3Ti4O12 ceramics: A novel approach

Science.gov (United States)

Pradhan, M. K.; Rao, T. Lakshmana; Karna, Lipsarani; Dash, S.

2018-04-01

The CaCu3Ti4O12 (CCTO) remains as the best material for practical applications due to its high dielectric constant. To improve further the dielectric properties of CCTO to several orders in magnitude, a novel approach is adopted by codoping of Sr, Sb ions. The ceramic samples were fabricated by the conventional solid state route. The structure, morphology and detail dielectric properties were investigated systematically. All the samples crystalizes in a cubic symmetry with Im-3 space group. Sr substituted in Ca site can effectively suppress the grain growth, achieving a fine grained ceramic structure; however the grain size decreased slightly as Sb concentration increased further; whereas the dielectric permittivity of the ceramics increased drastically. The giant dielectric response was considered to be closely related with a reduction in the potential barrier height at grain boundaries (GBs) supported by the reduction in the activation energy for the conduction process.

Phase formation and dielectric properties of the perovskite-like structure CaCu3Ti4O-12

International Nuclear Information System (INIS)

Porfirio, T.C.; Muccillo, E.N.S.

2012-01-01

The perovskite-like structure compound titanate and calcium copper has attracted great scientific interest due to its giant electric permittivity, which enables its application in electronic devices such as supercapacitors and access memories volatile. In this paper, a study of phase formation, densification and dielectric properties of ceramics prepared from powders obtained by solid state reaction were made. Calcinations were performed at 900 and 950°C and sintering between 1060 and 1100°C for times from 5 to 18 hours. The characterization techniques used were X-ray diffraction, density measurement, and the electrical permittivity by impedance spectroscopy. Hydrostatic density results showed that was possible to obtain high densification (over 92% of theoretical density), with cubic phase (perovskite-like structure) and electrical permittivity around 10 4 at room temperature. (author)

Deposition of Li{sub 4}Ti{sub 5}O{sub 12} and LiMn{sub 2}O{sub 4} films on the lithium-ion conductor of Li{sub 1.3}Al{sub 0.3}Ti{sub 1.7}(PO{sub 4}){sub 3} sintered pellet

Energy Technology Data Exchange (ETDEWEB)

Wu, Xian Ming, E-mail: xianmingwu@163.com [College of Chemistry and Chemical Engineering, Jishou University, Jishou Hunan 416000 (China); Xiangxi Minerals and New Materials Research and Service Center, Jishou Hunan 416000 (China); Chen, Shang [College of Chemistry and Chemical Engineering, Jishou University, Jishou Hunan 416000 (China); Xiangxi Minerals and New Materials Research and Service Center, Jishou Hunan 416000 (China); He, Ze Qiang; Chen, Shou Bin; Li, Run Xiu [College of Chemistry and Chemical Engineering, Jishou University, Jishou Hunan 416000 (China)

2015-08-31

LiMn{sub 2}O{sub 4} and Li{sub 4}Ti{sub 5}O{sub 12} films were deposited on the lithium-ion conductor of Li{sub 1.3}Al{sub 0.3}Ti{sub 1.7}(PO{sub 4}){sub 3} sintered pellet by spray technique. The effect of annealing temperature, annealing time, Li:Ti and Li:Mn molar ratio on the phase and crystallization of the films were investigated with X-ray diffraction. The LiMn{sub 2}O{sub 4}/Li{sub 1.3}Al{sub 0.3}Ti{sub 1.7}(PO{sub 4}){sub 3}/Li{sub 4}Ti{sub 5}O{sub 12} thin-film lithium-ion battery using Li{sub 1.3}Al{sub 0.3}Ti{sub 1.7}(PO{sub 4}){sub 3} sintered pellet as both electrolyte and substrate was also studied. The results show that the effect of annealing temperature, annealing time, Li:Ti and Li:Mn molar ratio has great effect on the phase and crystallization of Li{sub 4}Ti{sub 5}O{sub 12} and LiMn{sub 2}O{sub 4} films deposited on the Li{sub 1.3}Al{sub 0.3}Ti{sub 1.7}(PO{sub 4}){sub 3} sintered pellet. The optimal Li:Ti and Li:Mn molar ratio for the deposition of Li{sub 4}Ti{sub 5}O{sub 12} and LiMn{sub 2}O{sub 4} films on Li{sub 1.3}Al{sub 0.3}Ti{sub 1.7}(PO{sub 4}){sub 3} sintered pellet are 7.2:5 and 1.05:2, respectively. The optimal annealing temperature and time for the deposition of LiMn{sub 2}O{sub 4} film on Li{sub 1.3}Al{sub 0.3}Ti{sub 1.7}(PO{sub 4}){sub 3} sintered pellet are 650 °C and 10 min. While those for Li{sub 4}Ti{sub 5}O{sub 12} film are 700 °C and 10 min. The LiMn{sub 2}O{sub 4}/Li{sub 1.3}Al{sub 0.3}Ti{sub 1.7}(PO{sub 4}){sub 3}/Li{sub 4}Ti{sub 5}O{sub 12} thin-film battery offers a working voltage about 2.25 V and can be easily cycled. - Highlights: • LiMn{sub 2}O{sub 4} and Li{sub 4}Ti{sub 5}O{sub 12} films spray deposited on Li{sub 1.3}Al{sub 0.3}Ti{sub 1.7}(PO{sub 4}){sub 3} sintered pellet • Film crystal phase depends on the spray solution composition and annealing conditions. • Prepared thin-film lithium-ion battery employs sintered pellet as electrolyte and substrate. • LiMn{sub 2}O{sub 4}/Li{sub 1.3}Al{sub 0.3}Ti{sub 1

XPS and EELS characterization of Mn{sub 2}SiO{sub 4}, MnSiO{sub 3} and MnAl{sub 2}O{sub 4}

Energy Technology Data Exchange (ETDEWEB)

Grosvenor, A.P., E-mail: andrew.grosvenor@usask.ca [Department of Chemistry, University of Saskatchewan, Saskatoon, SK S7N 5C9 (Canada); Bellhouse, E.M., E-mail: erika.bellhouse@arcelormittal.com [Global R & D—Hamilton, ArcelorMittal Dofasco, 1330 Burlington St. E, Hamilton, ON L8N 3J5 (Canada); Korinek, A., E-mail: korinek@mcmaster.ca [Canadian Centre for Electron Microscopy, Brockhouse Institute for Materials Research, McMaster University, 1280 Main St. W., Hamilton, ON L8S 4M1 (Canada); Bugnet, M., E-mail: bugnetm@mcmaster.ca [Canadian Centre for Electron Microscopy, Brockhouse Institute for Materials Research, McMaster University, 1280 Main St. W., Hamilton, ON L8S 4M1 (Canada); McDermid, J.R., E-mail: mcdermid@mcmaster.ca [Steel Research Centre, McMaster University, 1280 Main St. W., Hamilton, ON L8S 4M1 (Canada)

2016-08-30

Graphical abstract: XPS and EELS spectra were acquired from Mn2Al2O4, MnSiO3 and Mn2SiO4 standards and unique features identified that will allow unambiguous identification of these compounds when studying the selective oxidation of advanced steels. - Highlights: • Mn2Al2O4, MnSiO3 and Mn2SiO4 standards were synthesized and characterized using both XPS and EELS. • Unique features in both the XPS high resolution and EELS spectra were identified for all compounds. • The spectra can be used to identify these compounds when studying the selective oxidation of steels. - Abstract: X-ray Photoelectron Spectroscopy (XPS) and Electron Energy Loss Spectroscopy (EELS) are strong candidate techniques for characterizing steel surfaces and substrate-coating interfaces when investigating the selective oxidation and reactive wetting of advanced high strength steels (AHSS) during the continuous galvanizing process. However, unambiguous identification of ternary oxides such as Mn{sub 2}SiO{sub 4}, MnSiO{sub 3}, and MnAl{sub 2}O{sub 4} by XPS or EELS, which can play a significant role in substrate reactive wetting, is difficult due to the lack of fully characterized standards in the literature. To resolve this issue, samples of Mn{sub 2}SiO{sub 4}, MnSiO{sub 3} and MnAl{sub 2}O{sub 4} were synthesized and characterized by XPS and EELS. The unique features of the XPS and EELS spectra for the Mn{sub 2}SiO{sub 4}, MnSiO{sub 3} and MnAl{sub 2}O{sub 4} standards were successfully derived, thereby allowing investigators to fully differentiate and identify these oxides at the surface and subsurface of Mn, Si and Al alloyed AHSS using these techniques.

Sr doped BiMO{sub 3} (M = Mn, Fe, Y) perovskites: Structure correlated thermal and electrical properties

Energy Technology Data Exchange (ETDEWEB)

Thakur, Samita, E-mail: samitasthakur@gmail.com [School of Physics and Materials Science, Thapar University, Patiala 147004 (India); School of Basic Sciences, Arni University, Kathgarh (India); Singh, K.; Pandey, O.P. [School of Physics and Materials Science, Thapar University, Patiala 147004 (India)

2017-02-01

Sr{sup 2+} substituted BiMnO{sub 3−δ} (BSM), BiFeO{sub 3−δ} (BSF) and BiYO{sub 3−δ} (BSY) perovskites structured samples have been investigated for their structural, thermal and electrical properties. These samples are characterized by X-ray diffraction, X-ray photoelectron spectroscopy (XPS), iodometric titration, Raman spectroscopy, thermogravimetric analysis (TGA) and conductivity. Rietveld refinement confirms that BSY sample has cubic (Fm-3m) symmetry with limited solid solubility of Sr{sup 2+} as compared to tetragonal symmetry (p4mm) of BSM and BSF samples. X-ray photoelectron spectroscopy study confirms the presence of Mn{sup 4+} and Fe{sup 4+} content in BSM and BSF samples. The amount of Mn{sup 3+}, Fe{sup 4+} and oxygen vacancies in these systems are calculated by iodometric titration. The highest oxygen vacancies are found in BSF sample. The BSM system exhibit the highest conductivity followed by BSF and BSY samples due to the presence of Mn{sup 4+} content and moderate oxygen vacancies in this particular sample. - Highlights: • (BiSr)MO{sub 3} (M = Mn, Fe, Y) was synthesized by solid state reaction method. • The B-site cation highly affect the generation of defects in perovskites. • The structural and electrical properties strongly depend upon the B-site cation.

Low-temperature molar heat capacities and entropies of MnO2 (pyrolusite), Mn3O4 (hausmanite), and Mn2O3 (bixbyite)

Science.gov (United States)

Robie, R.A.; Hemingway, B.S.

1985-01-01

Pyrolusite (MnO2), hausmanite (Mn3O4), and bixbyite (Mn2O3), are important ore minerals of manganese and accurate values for their thermodynamic properties are desirable to understand better the {p(O2), T} conditions of their formation. To provide accurate values for the entropies of these important manganese minerals, we have measured their heat capacities between approximately 5 and 380 K using a fully automatic adiabatically-shielded calorimeter. All three minerals are paramagnetic above 100 K and become antiferromagnetic or ferrimagnetic at lower temperatures. This transition is expressed by a sharp ??-type anomaly in Cpmo for each compound with Ne??el temperatures TN of (92.2??0.2), (43.1??0.2), and (79.45??0.05) K for MnO2, Mn3O4, and Mn2O3, respectively. In addition, at T ??? 308 K, Mn2O3 undergoes a crystallographic transition, from orthorhombic (at low temperatures) to cubic. A significant thermal effect is associated with this change. Hausmanite is ferrimagnetic below TN and in addition to the normal ??-shape of the heat-capacity maxima in MnO2 and Mn2O3, it has a second rounded maximum at 40.5 K. The origin of this subsidiary bump in the heat capacity is unknown but may be related to a similar "anomalous bump" in the curve of magnetization against temperature at about 39 K observed by Dwight and Menyuk.(1) At 298.15 K the standard molar entropies of MnO2, Mn3O4, and Mn2O3, are (52.75??0.07), (164.1??0.2), and (113.7??0.2) J??K-1??mol-1, respectively. Our value for Mn3O4 is greater than that adopted in the National Bureau of Standards tables(2) by 14 per cent. ?? 1985.

Electron diffraction and microscopy study of the structure and microstructure of the hexagonal perovskite Ba3Ti2MnO9

International Nuclear Information System (INIS)

Maunders, C.

2007-01-01

This paper reports a structural and microstructural investigation of the hexagonal perovskite Ba 3 Ti 2 MnO 9 using electron microscopy and diffraction. Convergent-beam electron diffraction (CBED) revealed the structure has the noncentrosymmetric space group P6 3 mc (186) at room temperature and at ∝ 110 K. Compared with the centrosymmetric parent structure BaTiO 3 , with space group P6 3 /mmc, this represents a break in mirror symmetry normal to the c axis. This implies the Ti and Mn atoms are ordered on alternate octahedral sites along the left angle 0001 right angle direction in Ba 3 Ti 2 MnO 9 . Using high-resolution electron microscopy (HREM), we observed occasional 6H/12R interfaces on (0001) planes, however, no antiphase boundaries were observed, as were seen in Ba 3 Ti 2 RuO 9 . Using powder X-ray Rietveld refinement we have measured the lattice parameters from polycrystalline samples to be a=5.6880±0.0005, c=13.9223±0.0015 Aa at room temperature. (orig.)

Evolution of electrical properties and domain configuration of Mn modified Pb(In1/2Nb1/2)O3-PbTiO3 single crystals

Science.gov (United States)

Qiao, Huimin; He, Chao; Yuan, Feifei; Wang, Zujian; Li, Xiuzhi; Liu, Ying; Guo, Haiyan; Long, Xifa

2018-04-01

The acceptor doped relaxor-based ferroelectric materials are useful for high power applications such as probes in ultrasound-guided high intensity focused ultrasound therapy. In addition, a high Curie temperature is desired because of wider temperature usage and improved temperature stability. Previous investigations have focused on Pb(Mg1/3Nb2/3)O3-PbTiO3 and Pb(Zn1/3Nb2/3)O3-PbTiO3 systems, which have a ultrahigh piezoelectric coefficient and dielectric constant, but a relatively low Curie temperature. It is desirable to study the binary relaxor-based system with a high Curie temperature. Therefore, Pb(In1/2Nb1/2)O3-PbTiO3 (PINT) single crystals were chosen to study the Mn-doped influence on their electrical properties and domain configuration. The evolution of ferroelectric hysteresis loops for doped and virgin samples exhibit the pinning effect in Mn-doped PINT crystals. The relaxation behaviors of doped and virgin samples are studied by fit of the modified Curie-Weiss law and Volgel-Fucher relation. In addition, a short-range correlation length was fitted to study the behavior of polar nanoregions based on the domain configuration obtained by piezoresponse force microscopy. Complex domain structures and smaller short-range correlation lengths (100-150 nm for Mn-doped PINT and >400 nm for pure PINT) were obtained in the Mn-doped PINT single crystals.

Incorporation of μ3-CO3 into an MnIII/MnIV Mn12 cluster: {[(cyclam)MnIV(μ-O)2MnIII(H2O)(μ-OH)]6(μ3-CO3)2}Cl8·24H2O

Science.gov (United States)

Levaton, Ben B.; Olmstead, Marilyn M.

2010-01-01

The centrosymmetric title cluster, hexa­aquadi-μ3-carbonato-hexa­cyclamhexa-μ2-hydroxido-dodeca-μ2-oxido-hexa­mang­an­ese(IV)hexa­manganese(III) octa­chloride tetra­cosa­hydrate, [Mn12(CO3)2O12(OH)6(C10H24N4)6(H2O)6]Cl8·24H2O, has two μ3-CO3 groups that not only bridge octahedrally coordinated MnIII ions but also act as acceptors to two different kinds of hydrogen bonds. The carbonate anion is planar within experimental error and has an average C—O distance of 1.294 (4) Å. The crystal packing is stabilized by O—H⋯Cl, O—H⋯O, N—H⋯Cl and N—H⋯O hydrogen bonds. Two of the four independent chloride ions are disordered over five positions, and eight of the 12 independent water mol­ecules are disordered over 21 positions. PMID:21587382

Growth and magnetotransport properties of epitaxial films of the layered perovskite La2-2xSr1+2xMn2O7

International Nuclear Information System (INIS)

Philipp, J.B.; Alff, L.; Gross, R.; Klein, J.; Recher, C.

2002-01-01

Epitaxial thin films of the bilayered perovskite La 2-2x Sr 1+2x Mn 2 O 7 (x=0.3, 0.4) have been grown by laser molecular beam epitaxy on NdGaO 3 substrates. Magnetotransport measurements with the current in the ab-plane and along the c-axis direction showed an intrinsic c-axis tunneling magnetoresistance effect associated with nonlinear current-voltage-characteristics for the x=0.3 compound. Besides the colossal magnetoresistance effect around the Curie temperature T C , at temperatures below about 40 K an additional high-field magnetoresistance was found most likely due to a strain and disorder induced re-entrant spin glass state in both the x=0.3 and 0.4 compounds. Our experiments show that the substrate induced coherency strain in the high quality epitaxial films results in magnetotransport properties that show markedly different behavior from those of single crystals. (orig.)

Porous nanocubic Mn3O4-Co3O4 composites and their application as electrochemical supercapacitors.

Science.gov (United States)

Pang, Huan; Deng, Jiawei; Du, Jimin; Li, Sujuan; Li, Juan; Ma, Yahui; Zhang, Jiangshan; Chen, Jing

2012-09-14

A simple approach has been developed to fabricate ideal supercapacitors based on porous Mn(3)O(4)-Co(3)O(4) nanocubic composite electrodes. We can easily obtain porous corner-truncated nanocubic Mn(3)O(4)-Co(3)O(4) composite nanomaterials without any subsequent complicated workup procedure for the removal of a hard template, seed or by using a soft template. In such a composite, the porous Mn(3)O(4)-Co(3)O(4) enables a fast and reversible redox reaction to improve the specific capacitance. The porous nanocubic Mn(3)O(4)-Co(3)O(4) composite electrode can effectively transport electrolytes and shorten the ion diffusion path, which offers excellent electrochemical performance. These results suggest that such porous Mn(3)O(4)-Co(3)O(4) composite nanocubes are very promising for next generation high-performance supercapacitors.

Single Crystal Growth of Multiferroic Double Perovskites: Yb2CoMnO6 and Lu2CoMnO6

Directory of Open Access Journals (Sweden)

Hwan Young Choi

2017-02-01

Full Text Available We report on the growth of multiferroic Yb2CoMnO6 and Lu2CoMnO6 single crystals which were synthesized by the flux method with Bi2O3. Yb2CoMnO6 and Lu2CoMnO6 crystallize in a double-perovskite structure with a monoclinic P21/n space group. Bulk magnetization measurements of both specimens revealed strong magnetic anisotropy and metamagnetic transitions. We observed a dielectric anomaly perpendicular to the c axis. The strongly coupled magnetic and dielectric states resulted in the variation of both the dielectric constant and the magnetization by applying magnetic fields, offering an efficient approach to accomplish intrinsically coupled functionality in multiferroics.

Tunable magnetocaloric effect in Sr{sub 1-x}Ca{sub x}Mn{sub 0.5}Ti{sub 0.5}O{sub 3} perovskites

Energy Technology Data Exchange (ETDEWEB)

Shanmugapriya, K.; Palanivel, Balan [Pondicherry Engineering College, Department of Physics, Puducherry (India); Radheep, D.M.; Murugan, Ramaswamy [Pondicherry University, Department of Physics, Puducherry (India)

2017-07-15

Sr{sub 1-x}Ca{sub x}Mn{sub 0.5}Ti{sub 0.5}O{sub 3} (x = 0.25, 0.5 and 0.75) polycrystalline samples were synthesized by conventional solid-state reaction. Magnetic characterizations of Sr{sub 1-x}Ca{sub x}Mn{sub 0.5}Ti{sub 0.5}O{sub 3} revealed signature of antiferromagnetic ordering at temperatures (T{sub N}) ∝ 19, 25 and 29.5 K for x = 0.25, x = 0.5 and for x = 0.75, respectively. Sr{sub 1-x}Ca{sub x}Mn{sub 0.5}Ti{sub 0.5}O{sub 3} (x = 0.75) exhibits field-induced antiferromagnetic to ferromagnetic transition at ∝ 30 K with applied magnetic field of 4 and 5 T. Magnetocaloric change (ΔS{sub M}) increases from 3.5 to 19 J/kg K by increasing calcium concentration in the A-site. Those ΔS{sub M} values are relatively very high in these classes of antiferromagnetic perovskite systems and equal to the magnetisation values of the ferromagnetic perovskite manganites. This is the first report for the Sr{sub 1-x}Ca{sub x}Mn{sub 0.5}Ti{sub 0.5}O{sub 3} (x = 0.75) having large magnetic entropy changes induced by the low magnetic field. (orig.)

Synthesis, structure, and spectroscopic and magnetic characterization of [Mn12O12(O2CCH2But)16(MeOH)4]·MeOH, a Mn12 single-molecule magnet with true axial symmetry.

Science.gov (United States)

Lampropoulos, Christos; Murugesu, Muralee; Harter, Andrew G; Wernsdofer, Wolfgang; Hill, Stephen; Dalal, Naresh S; Reyes, Arneil P; Kuhns, Philip L; Abboud, Khalil A; Christou, George

2013-01-07

The synthesis and properties are reported of a rare example of a Mn(12) single-molecule magnet (SMM) in truly axial symmetry (tetragonal, I4). [Mn(12)O(12)(O(2)CCH(2)Bu(t))(16)(MeOH)(4)]·MeOH (3·MeOH) was synthesized by carboxylate substitution on [Mn(12)O(12)(O(2)CMe)(16)(H(2)O)(4)]·2MeCO(2)H·4H(2)O (1). The complex was found to possess an S = 10 ground state, as is typical for the Mn(12) family, and displayed both frequency-dependent out-of-phase AC susceptibility signals and hysteresis loops in single-crystal magnetization vs DC field sweeps. The loops also exhibited quantum tunneling of magnetization steps at periodic field values. Single-crystal, high-frequency electron paramagnetic resonance spectra on 3·MeOH using frequencies up to 360 GHz revealed perceptibly sharper signals than for 1. Moreover, careful studies as a function of the magnetic field orientation did not reveal any satellite peaks, as observed for 1, suggesting that the crystals of 3 are homogeneous and do not contain multiple Mn(12) environments. In the single-crystal (55)Mn NMR spectrum in zero applied field, three well-resolved peaks were observed, which yielded hyperfine and quadrupole splitting at three distinct sites. However, observation of a slight asymmetry in the Mn(4+) peak was detectable, suggesting a possible decrease in the local symmetry of the Mn(4+) site. Spin-lattice (T(1)) relaxation studies were performed on single crystals of 3·MeOH down to 400 mK in an effort to approach the quantum tunneling regime, and fitting of the data using multiple functions was employed. The present work and other recent studies continue to emphasize that the new generation of truly high-symmetry Mn(12) complexes are better models for thorough investigation of the physical properties of SMMs than their predecessors such as 1.

X-ray absorption measurements of charge-ordered La{sub 0.5}Sr{sub 1.5}MnO{sub 4}

Energy Technology Data Exchange (ETDEWEB)

Saitoh, T.; Villella, P.M.; Dessau, D.S. [Univ. of Colorado, Boulder, CO (United States)] [and others

1997-04-01

Perovskite and {open_quotes}layered perovskite{close_quotes}-type manganese oxides show a variety of electronic and magnetic properties such as the colossal magnetoresistance (CMR) or the charge ordering. Among them, La{sub 0.5}Sr{sub 1.5}MnO{sub 4} (K{sub 2}NiF{sub 4} structure) which has 0.5 holes per Mn site (d{sup 3.5}) shows the charge-order transition at {approximately}220 K below which Mn{sup 3+} and Mn{sup 4+} sites are believed to order in the CE-type. Although the charge ordering phenomenon has also been observed in the perovskite manganites Pr{sub 0.5}Sr{sub 1.5}MnO{sub 3} or Pr{sub 0.5}Ca{sub 1.5}MnO{sub 3}, the present system has another advantage that it has a layered structure. This enables the authors to address the issue of the orbital symmetry which should be directly related to the charge ordering. In this report, they present the results of x-ray absorption spectroscopy (XAS) on La{sub 0.5}Sr{sub 1.5}MnO{sub 4}, for two polarization angles and two (above and below the transition temperature T{sub CO}) temperatures.

CaMn(1-x)Nb(x)O3 (x < or = 0.08) perovskite-type phases as promising new high-temperature n-type thermoelectric materials.

Science.gov (United States)

Bocher, L; Aguirre, M H; Logvinovich, D; Shkabko, A; Robert, R; Trottmann, M; Weidenkaff, A

2008-09-15

Perovskite-type CaMn(1-x)Nb(x)O(3+/-delta) (x = 0.02, 0.05, and 0.08) compounds were synthesized by applying both a "chimie douce" (SC) synthesis and a classical solid state reaction (SSR) method. The crystallographic parameters of the resulting phases were determined from X-ray, electron, and neutron diffraction data. The manganese oxidations states (Mn(4+)/Mn(3+)) were investigated by X-ray photoemission spectroscopy. The orthorhombic CaMn(1-x)Nb(x)O(3+/-delta) (x = 0.02, 0.05, and 0.08) phases were studied in terms of their high-temperature thermoelectric properties (Seebeck coefficient, electrical resistivity, and thermal conductivity). Differences in electrical transport and thermal properties can be correlated with different microstructures obtained by the two synthesis methods. In the high-temperature range, the electron-doped manganate phases exhibit large absolute Seebeck coefficient and low electrical resistivity values, resulting in a high power factor, PF (e.g., for x = 0.05, S(1000K) = -180 microV K(-1), rho(1000K) = 16.8 mohms cm, and PF > 1.90 x 10(-4) W m(-1) K(-2) for 450 K 0.3) make these phases the best perovskitic candidates as n-type polycrystalline thermoelectric materials operating in air at high temperatures.

Structural and magnetic properties of layered perovskite manganite LaCaBiMn2O7

Directory of Open Access Journals (Sweden)

Oubla M.

2013-09-01

Full Text Available The layered perovskite oxide, LaCaBiMn2O7, has been prepared by the conventional aqueous solution precipitation method. The powder X-ray diffraction studies suggest that the phase crystallizes with tetragonal unit cell in the space group I4/mmm. The magnetic properties suggest that the ferromagnetic interactions are dominant and manganese ion in the phase is present in mixed valence states Mn3+and Mn4+. The thermomagnetization curve is found to obey the Bloch law. Spin wave stiffness constant D and the approximate value for JMnMnexchange interaction were estimated from the experimental results.

Monodispersed MnO nanoparticles with epitaxial Mn{sub 3}O{sub 4} shells

Energy Technology Data Exchange (ETDEWEB)

Berkowitz, A E; Rodriguez, G F [Department of Physics, University of California, San Diego La Jolla, CA 92093 (United States); Hong, J I; Fullerton, E E [Center for Magnetic Recording Research, University of California-San Diego La Jolla, CA 92093 (United States); An, K; Hyeon, T [National Creative Research Initiative Center for Oxide Nanocrystalline Materials, Seoul National University, Seoul 151-744 (Korea, Republic of); Agarwal, N; Smith, D J [School of Materials and Department of Physics, Arizona State University, Tempe, AZ 85287 (United States)

2008-07-07

We report the microstructural and magnetic properties of monodispersed nanoparticles (NPs) of antiferromagnetic MnO (T{sub N} = 118 K), with epitaxial ferrimagnetic Mn{sub 3}O{sub 4} (T{sub C} = 43 K) shells. Above T{sub C}, an unusually large magnetization is present, produced by the uncompensated spins (UCSs) on the surface of the MnO particles. These spins impart a net anisotropy to the MnO particles that is approximately three orders of magnitude larger than the bulk value. As a result, an anomalously high blocking temperature is exhibited by the MnO particles, and finite coercivity and exchange bias are present above T{sub C}. When field cooled below T{sub C}, a strong exchange bias was established in the Mn{sub 3}O{sub 4} shells as a result of high net anisotropy of the MnO particles. A large coercivity was also observed. Models of several aspects of the behaviour of this unusual system emphasized the essential role of the UCSs on the surfaces of the MnO NPs.

Crystal and magnetic study of the disordered perovskites Ca(Mn{sub 0.5}Sb{sub 0.5})O{sub 3} and Ca(Fe{sub 0.5}Sb{sub 0.5})O{sub 3}

Energy Technology Data Exchange (ETDEWEB)

Retuerto, M., E-mail: mretuerto@icmm.csic.es [Instituto de Ciencia de Materiales de Madrid, CSIC, Energia, Medio Ambiente y Tecnologias Sostenibles, Sor Juana Ines de la Cruz 3, Cantoblanco, E-28049 Madrid (Spain); Martinez-Lope, M.J.; Garcia-Hernandez, M. [Instituto de Ciencia de Materiales de Madrid, CSIC, Energia, Medio Ambiente y Tecnologias Sostenibles, Sor Juana Ines de la Cruz 3, Cantoblanco, E-28049 Madrid (Spain); Munoz, A. [Departamento de Fisica Aplicada, EPS, Universidad Carlos III, Avda. Universidad 30, E-28911 Leganes-Madrid (Spain); Fernandez-Diaz, M.T. [Institut Max Von Laue Paul Langevin, F-38042 Grenoble (France); Alonso, J.A. [Instituto de Ciencia de Materiales de Madrid, CSIC, Energia, Medio Ambiente y Tecnologias Sostenibles, Sor Juana Ines de la Cruz 3, Cantoblanco, E-28049 Madrid (Spain)

2010-10-15

We have investigated the double perovskites Ca{sub 2}MSbO{sub 6} (M = Mn, Fe) that have been prepared by solid-state reaction (M = Fe) and wet chemistry procedures (M = Mn). The crystal and magnetic structures have been studied from X-ray (XRD) and neutron powder diffraction (NPD) data. Rietveld refinements show that the crystal structures are orthorhombic (space group Pbnm) with complete disorder of M and Sb cations, so the formula should be rewritten as Ca(M{sub 0.5}Sb{sub 0.5})O{sub 3}. Due to this disorder no evidences of Jahn-Teller distortion can be observed in the MnO{sub 6} octahedra of Ca(Mn{sub 0.5}Sb{sub 0.5})O{sub 3}, in contrast with the ordered double perovskite Sr{sub 2}MnSbO{sub 6}. Ca(Fe{sub 0.5}Sb{sub 0.5})O{sub 3} behaves as an antiferromagnet with an ordered magnetic moment for Fe{sup 3+} of 1.53(4){mu}{sub B} and a propagation vector k = 0, as investigated by low-temperature NPD. The antiferromagnetic ordering is a result of the high degree of Fe/Sb anti-site disorder of the sample, which originates the spontaneous formation of Fe-rich islands, characterized by the presence of strong Fe-O-Fe antiferromagnetic couplings with enough long-range coherence to produce a magnetic contribution perceptible by NPD. By contrast, the magnetic structure of Ca(Mn{sub 0.5}Sb{sub 0.5})O{sub 3} cannot be observed by low-temperature NPD because the magnitude of the ordered magnetic moments is below the detection threshold for neutrons.

Preparation of submicrocrystal LiMn2O4 used Mn3O4 as precursor and its electrochemical performance for lithium ion battery

International Nuclear Information System (INIS)

Liu, Bao-Sheng; Wang, Zhen-Bo; Zhang, Yin; Yu, Fu-Da; Xue, Yuan; Ke, Ke; Li, Fang-Fei

2015-01-01

Graphical abstract: Spinal LiMn 2 O 4 particles synthesized at 800 °C for 12 h has the best crystallinity with a submicron size and smallest cation disorder, resulting in a superior capacity retention ratio of 90.4% after 200 cycles at 1 °C at room temperature, which possesses an initial capacity of 106.8 mA h/g. - Highlights: • High purity spinel LiMn 2 O 4 was synthesized from industrial grade raw materials. • LiMn 2 O 4 prepared by optimal conditions has the smallest cation mixing. • Optimized LiMn 2 O 4 has the highest initial capacity with 112.9 mA h/g. • Capacity retention of optimized LiMn 2 O 4 is 90.4% after 200 cycles at 1 °C. - Abstract: Spinel LiMn 2 O 4 has been synthesized by solid state reaction with industrial grade Mn 3 O 4 and Li 2 CO 3 as precursors without purification, and its electrochemical performance for lithium ion battery has been investigated by CR2025 coin cell. The results of X-ray diffraction (XRD) patterns and scanning electron microscope (SEM) images show that the size of LiMn 2 O 4 particles grow up with increasing temperature of calcination, and the sample synthesized at 800 °C for 12 h has the best crystallinity with a submicron size. It can deliver initial capacity of 112.9 mA h/g with capacity retention ratio of 89.1% after 200 cycles at charge/discharge rate of 1 C. The results of cyclic voltammetry (CV) and electrochemical impedance spectroscopy (EIS) also show that it has the highest electrochemical activity and lowest charge transfer impedance

Enhancement of Low-field Magnetoresistance in Self-Assembled Epitaxial La0.67Ca0.33MnO3:NiO and La0.67Ca0.33MnO3:Co3O4 Composite Films via Polymer-Assisted Deposition.

Science.gov (United States)

Zhou, Meng; Li, Yuling; Jeon, Il; Yi, Qinghua; Zhu, Xuebin; Tang, Xianwu; Wang, Haiyan; Fei, Ling; Sun, Yuping; Deng, Shuguang; Matsuo, Yutaka; Luo, Hongmei; Zou, Guifu

2016-07-06

Polymer-assisted deposition method has been used to fabricate self-assembled epitaxial La0.67Ca0.33MnO3:NiO and La0.67Ca0.33MnO3:Co3O4 films on LaAlO3 substrates. Compared to pulsed-laser deposition method, polymer-assisted deposition provides a simpler and lower-cost approach to self-assembled composite films with enhanced low-field magnetoresistance effect. After the addition of NiO or Co3O4, triangular NiO and tetrahedral Co3O4 nanoparticles remain on the surface of La0.67Ca0.33MnO3 films. This results in a dramatic increase in resistivity of the films from 0.0061 Ω•cm to 0.59 Ω•cm and 1.07 Ω•cm, and a decrease in metal-insulator transition temperature from 270 K to 180 K and 172 K by the addition of 10%-NiO and 10%-Co3O4, respectively. Accordingly, the maximum absolute magnetoresistance value is improved from -44.6% to -59.1% and -52.7% by the addition of 10%-NiO and 10%-Co3O4, respectively. The enhanced low-field magnetoresistance property is ascribed to the introduced insulating phase at the grain boundaries. The magnetism is found to be more suppressed for the La0.67Ca0.33MnO3:Co3O4 composite films than the La0.67Ca0.33MnO3:NiO films, which can be attributed to the antiferromagnetic properties of the Co3O4 phase. The solution-processed composite films show enhanced low-field magnetoresistance effect which are crucial in practical applications. We expect our polymer-assisted deposited films paving the pathway in the field of hole-doped perovskites with their intrinsic colossal magnetoresistance.

Post-perovskite transitions in CaB4+O3 at high pressure

International Nuclear Information System (INIS)

Akaogi, M; Shirako, Y; Kojitani, H; Takamori, S; Yamaura, K; Takayama-Muromachi, E

2010-01-01

High-pressure phase transitions in CaRhO 3 were examined using a multianvil apparatus up to 27 GPa and 1930 o C. CaRhO 3 perovskite transforms to post-perovskite via a monoclinic intermediate phase with increasing pressure. Volume changes for the transitions of perovskite - intermediate phase and of intermediate phase - post-perovskite are -1.1 and -0.7 %, respectively. CaRhO 3 post-perovskite is the fourth quenchable post-perovskite oxide found so far. By high-temperature calorimetric experiments, enthalpy of the perovskite - post-perovskite transition in CaRuO 3 was measured as 15.2±3.3 kJ/mol. Combining the datum with those of CaIrO 3 , it is shown that CaIrO 3 perovskite is energetically less stable than CaRuO 3 perovskite. This is consistent with the fact that orthorhombic distortion of CaIrO 3 perovskite is larger than CaRuO 3 , as indicated with the tilt-angle of octahedral framework of perovskite structure. The transition pressure from perovskite to post-perovskite in CaBO 3 (B = Ru, Rh, Ir) increases almost linearly with decreasing the tilt-angle, suggesting that the perovskite - post-perovskite transition may result from instability of the perovskite structure with pressure.

Pressure-induced suppression of ferromagnetic phase and conduction in CaMn1-xRuxO3

International Nuclear Information System (INIS)

Markovich, V.; Fita, I.; Puzniak, R.; Rozenberg, E.; Martin, C.; Wisniewski, A.; Maignan, A.; Raveau, B.; Yuzhelevskii, Y.; Gorodetsky, G.

2005-01-01

Magnetic and transport properties of polycrystalline CaMn 1-x Ru x O 3 (x=0-0.4) perovskites were investigated under pressures up to 12kbar. It was found that an applied pressure suppresses ferromagnetism and increases resistivity. The results are discussed in the context of phase separation and valence effects

Neutron spectroscopy of the crystalline-electric-field in Nd{sub 1-x}Sr{sub x}MnO{sub 3} (x=0, 0.3) and PrMnO{sub 3}

Energy Technology Data Exchange (ETDEWEB)

Podelsnyak, A.; Mirmelstein, A. [Inst. for Metal Physics, Ekaterinburg (Russian Federation); Zolliker, M.; Furrer, A. [Paul Scherrer Inst. (PSI), Villigen (Switzerland)

1997-09-01

Ln{sub 1-x}A{sub {sub x}}MnO{sub 3} manganese perovskite are of interest because of their magnetic and transport properties. Inelastic neutron scattering has been employed to search for crystalline-electric-field (CEF) transitions in Nd{sub 1-x}Sr{sub x}MnO{sub 3} (x=0, 0.3) and PrMnO{sub 3} compounds. (author) 1 fig., 3 refs.

Nature of potential barrier in (Ca 1/4,Cu 3/4)TiO 3 polycrystalline perovskite

Science.gov (United States)

Marques, V. P. B.; Bueno, P. R.; Simões, A. Z.; Cilense, M.; Varela, J. A.; Longo, E.; Leite, E. R.

2006-04-01

The nonohmic electrical features of (Ca 1/4,Cu 3/4)TiO 3 perovskite ceramics, which have very strong gigantic dielectric is believed originate from potential barriers at the grain boundaries. In the present study, we used the admittance and impedance spectroscopy technique to investigate (Ca 1/4,Cu 3/4)TiO 3 perovskite ceramics with low nonohmic electrical properties. The study was conducted under two different conditions: on as-sintered ceramics and on ceramics thermally treated in an oxygen-rich atmosphere. The results confirm that thermal treatment in oxygen-rich atmospheres influence the nonohmic properties. Annealing at oxygen-rich atmospheres improve the nonohmic behavior and annealing at oxygen-poor atmospheres decrease the nonohmic properties, a behavior already reported for common metal oxide nonohmic devices and here firstly evidenced for the (Ca 1/4,Cu 3/4)TiO 3 perovskite related materials. The results show that oxygen also influences the capacitance values at low frequencies, a behavior that is indicative of the Schottky-type nature of the potential barrier.

Oxidative and antibacterial activity of Mn3O4

International Nuclear Information System (INIS)

Chowdhury, Al-Nakib; Azam, Md. Shafiul; Aktaruzzaman, Md.; Rahim, Abdur

2009-01-01

Mn 3 O 4 nanoparticles with diameter ca. 10 nm were synthesized by the forced hydrolysis of Mn(II) acetate at 80 deg. C. The X-ray diffraction (XRD), Fourier transform infra red (FT-IR) spectroscopy, scanning electron microscopy (SEM) and energy dispersive X-ray (EDX) techniques were employed to study structural features and chemical composition of the nanoparticles. The unique oxidative activity of the Mn 3 O 4 nanoparticles was demonstrated in the polymerization and dye degradation reactions. On adding Mn 3 O 4 suspension to an acidic solution of aniline, yielded immediately green sediment of polyaniline (PANI). The organic dyes, viz., methylene blue (MB) and procion red (PR) were found to be completely decolorized from their aqueous solution on treating the dyes with Mn 3 O 4 suspension in acidic media. The Mn 3 O 4 nanoparticles also showed a clear antibacterial activity against the Vibrio cholerae, Shigella sp., Salmonella sp., and Escherichi coli bacteria that cause cholera, dysentery, typhoid, and diarrhea diseases, respectively.

Coating effect of LiFePO4 and Al2O3 on Li1.2Mn0.54Ni0.13Co0.13O2 cathode surface for lithium ion batteries

Science.gov (United States)

Seteni, Bonani; Rapulenyane, Nomasonto; Ngila, Jane Catherine; Mpelane, Siyasanga; Luo, Hongze

2017-06-01

Lithium-manganese-rich cathode material Li1.2Mn0.54Ni0.13Co0.13O2 is prepared by combustion method, and then coated with nano-sized LiFePO4 and nano-sized Al2O3 particles via a wet chemical process. The as-prepared Li1.2Mn0.54Ni0.13Co0.13O2, LiFePO4-coated Li1.2Mn0.54Ni0.13Co0.13O2 and Al2O3-coated Li1.2Mn0.54Ni0.13Co0.13O2 are characterized by X-ray diffraction, scanning electron microscopy and transmission electron microscopy. The scanning electron microscopy shows the agglomeration of the materials and their nanoparticle size ∼100 nm. The transmission electron microscopy confirms that LiFePO4 forms a rough mat-like surface and Al2O3 remain as islandic particles on the surface of the Li1.2Mn0.54Ni0.13Co0.13O2 material. The Li1.2Mn0.54Ni0.13Co0.13O2 coated with LiFePO4 and Li1.2Mn0.54Ni0.13Co0.13O2 coated with Al2O3 exhibits improved electrochemical performance. The initial discharge capacity is enhanced to 267 mAhg-1 after the LiFePO4 coating and 285 mAhg-1 after the Al2O3 coating compared to the as-prepared Li1.2Mn0.54Ni0.13Co0.13O2 material that has an initial discharge capacity of 243 mAhg-1. Galvanostatic charge-discharge tests at C/10 display longer activation of Li2MnO3 phase and higher capacity retention of 88% after 20 cycles for Li1.2Mn0.54Ni0.13Co0.13O2-LiFePO4 compared to Li1.2Mn0.54Ni0.13Co0.13O2-Al2O3 of 80% after 20 cycles and LMNC of 80% after 20 cycles. Meanwhile Li1.2Mn0.54Ni0.13Co0.13O2-LiFePO4 also shows higher rate capability compared to Li1.2Mn0.54Ni0.13Co0.13O2-Al2O3.

Formation of Mn3O4(001) on MnO(001): Surface and interface structural stability

International Nuclear Information System (INIS)

Bayer, Veronika; Podloucky, Raimund; Franchini, Cesare; Allegretti, Francesco; Xu, Bo; Parteder, Georg; Ramsey, Michael G.; Surnev, Svetlozar; Netzer, Falko P.

2007-01-01

X-ray absorption and photoemission spectroscopies, high-resolution electron energy loss spectroscopy, spot profile analysis low energy electron diffraction, and density functional theory calculations are employed to study the growth of (001) oriented Mn 3 O 4 surfaces on a Pd(100)-supported MnO(001) substrate, with the Hausmannite planar lattice constants aligned along the [110] direction of the underlying MnO(001) support. We show that despite the rather large lattice mismatch, abrupt interfaces may exist between rocksalt MnO and Hausmannite. We argue that this process is facilitated by the relatively low computed strain energy and we propose realistic models for the interface. An atop site registry between the Mn(O) atoms of the oxygen rich Mn 3 O 4 termination and the MnO(001) O(Mn) atoms underneath is found to be the energetically most favorable configuration. The significant planar expansion is accompanied by a large compression of the Mn 3 O 4 vertical lattice constant, yielding structural distortion of the O-Mn-O octahedral axis. Spot profile analysis low energy electron diffraction experiments show that the conversion reaction proceeds easily in both directions, thus indicating the reversible redox character of the transition

Influence of iridium on the reactivity of LaFeO3 base perovskites

DEFF Research Database (Denmark)

Kindermann, L.; Das, D.; Bahadur, D.

1998-01-01

The influence of iridium on the reactivity of powder mixtures made of perovskites and 8 mol% yttria stabilized zirconia (8 YSZ) is reported. Iridium is added to the perovskites of the composition (La0.6M0.4)(z)Fe0.8TM0.2O3-delta (M = Sr, Ca; TM = Mn, Co; z = 0.90, 1.00) via the gaseous phase....... Iridium is present in the perovskite lattice as Ir4+ replacing iron as is evident from XRD and TEM/EDX results. Compatibility studies carried out at 1000 degrees C demonstrate that iridium has considerable influence on the reactivity. The results are discussed with respect to the stability...... of the perovskites, thermodynamic activities, Ir(IV)-O bonding, tolerance factor and oxygen migration....

Anisotropic O vacancy formation and diffusion in LaMnO3

KAUST Repository

Gan, Liyong; Salawu, Omotayo Akande; Schwingenschlö gl, Udo

2014-01-01

Anisotropy effects in solid oxide fuel cells are typically not considered because of high operating temperatures. Focusing on the prototypical perovskite LaMnO3, we apply first-principles calculations to demonstrate that this approximation is no longer valid when the operating temperature is reduced and discuss the consequences for the material properties. In addition, we show that strain and Sr doping can be used to further increase the anisotropy. Tensile strain promotes both the O vacancy formation and diffusion in pristine and Sr doped LaMnO3, while Sr doping enhances the O vacancy formation. Both in LaMnO3 and La0.75Sr0.25MnO3 the O diffusion is found to be favorable in the [011] and [011] directions.

Synthesis and Electrochemistry of Li3MnO4: Mn in the +5 OxidationState

Energy Technology Data Exchange (ETDEWEB)

Saint, Juliette.A.; Doeff, Marca M.; Reed, John

2007-06-19

Computational and experimental work directed at exploringthe electrochemical properties of tetrahedrally coordinated Mn in the +5oxidation state is presented. Specific capacities of nearly 700 mAh/g arepredicted for the redox processes of LixMnO4 complexes based on twotwo-phase reactions. One is topotactic extractionof Li from Li3MnO4 toform LiMnO4 and the second is topotactic insertion of Li into Li3MnO4 toform Li5MnO4. In experiments, it is found that the redox behavior ofLi3MnO4 is complicated by disproportionation of Mn5+ in solution to formMn4+ and Mn7+ and byother irreversible processes; although an initialcapacity of about 275 mAh/g in lithiumcells was achieved. Strategiesbased on structural considerations to improve the electrochemicalproperties of MnO4n- complexes are given.

Mechanism of formation of perovskite phase and dielectric properties of Pb(Zn,Mg)1/3Nb2/3O3 ceramics prepared by columbite precursor routes

International Nuclear Information System (INIS)

Jang, H.M.; Cho, S.R.; Lee, K.M.

1995-01-01

The mechanism of formation of the perovskite phase and the dielectric properties of Pb(Zn,Mg) 1/3 Nb 2/3 O 3 (PZMN) ceramics were examined using two different types of columbite precursors, (Mg,Zn)Nb 2 O 6 (MZN) and MgNb 2 O 6 + ZnNb 2 O 6 (MN + ZN). The formation of perovskite phase in the PbO + MN + ZN system is characterized by an initial rapid formation of Mg-rich perovskite phase, followed by a sluggish formation of Zn-rich perovskite phase. On the other hand, due to the formation of pyrochlore phase of mixed divalent cations Pb 2-x (Zn,Mg) y Nb 2-y O 7-x-3y/2 , the pyrochlore/perovskite transformation in the PbO + MZN system proceeded uniformly with a spatial homogeneity. Further analysis suggested that the formation of perovskite phase is a diffusion-controlled process. The degree of diffuseness of the rhombohedral/cubic phase transition (DPT) is higher in the PbO + MN + ZN system than in the PbO + MZN specimen for T > T max (temperature of the dielectric permittivity maximum), indicating a broadened compositional distribution of the B-site cations in the PbO + MN + ZN system

Correlation between microstructure and electrical properties of Cu{sub 1.3}Mn{sub 1.7}O{sub 4}/La{sub 2}O{sub 3} composite-coated ferritic stainless steel interconnects

Energy Technology Data Exchange (ETDEWEB)

Hosseini, N., E-mail: nazaneen_hosseini@ma.iut.ac.ir [Department of Materials Engineering, Isfahan University of Technology, Isfahan 84156-83111 (Iran, Islamic Republic of); Karimzadeh, F.; Abbasi, M.H. [Department of Materials Engineering, Isfahan University of Technology, Isfahan 84156-83111 (Iran, Islamic Republic of); Choi, G.M. [Fuel Cell Research Center and Department of Materials Science and Engineering, Pohang University of Science and Technology, Pohang 790-784 (Korea, Republic of)

2016-07-15

The goal of this study was to investigate the effect of screen-printed Cu{sub 1.3}Mn{sub 1.7}O{sub 4}/La{sub 2}O{sub 3} composite coating on chromia scale growth and electrical behavior of AISI430 stainless steel interconnects. The coated samples were characterized by X-ray diffraction (XRD), field emission scanning electron microscopy equipped with energy dispersive spectroscopy (FESEM-EDS) and 4-probe area specific resistance (ASR) tests. The results showed that LaCrO{sub 3} conductive perovskite is formed due to the interdiffusion between Cr{sub 2}O{sub 3} and/or CrO{sub 3} and La{sub 2}O{sub 3}. The presence of LaCrO{sub 3} through the composite coating and Cr{sub 2}O{sub 3} sub-scale accompanied by the effective role of spinel phase, acted as a barrier to mitigate the sub-scale growth preventing chromium diffusion through the coating and the cathode. Besides, LaCrO{sub 3} particles within the sub-scale provided suitable conductive paths decreasing ASR from 19.3 mΩ cm{sup 2} for spinel coated sample to 15 mΩ cm{sup 2} for composite coated sample at the end of 500 h oxidation at 750° C. - Highlights: • Cu{sub 1.3}Mn{sub 1.7}O{sub 4}/La{sub 2}O{sub 3} coating was deposited on AISI 430 by screen-printing method. • LaCrO{sub 3} perovskite was formed due to the interdiffusion between Cr species and La{sub 2}O{sub 3}. • LaCrO{sub 3} particles within the chromia provided conductive paths causing ASR reduction. • The co-existence of LaCrO{sub 3} and Cu{sub 1.3}Mn{sub 1.7}O{sub 4} noticeably retarded the chromia growth.

Comment on 'Pressure-induced changes in transport properties of layered La1.2Ca1.8Mn2O7'

International Nuclear Information System (INIS)

Ganguly, R.; Siruguri, V.; Gopalakrishnan, I.K.; Yakhmi, J.V.

2000-01-01

We show that the compound La 1.2 Ca 1.8 Mn 2 O 7 does not form with layered Sr 3 Ti 2 O 7 -type structure as reported by Kamenev et al. [Phys. Rev. B 56, R12 688 (1997)]. Detailed analysis of the powder x-ray diffraction pattern of this compound (synthesized by using the solid-state method) by Rietveld method shows that it forms a multiphase mixture comprising hole-doped perovskite manganates (La 1-x Ca x MnO 3 ) as the majority phases and CaO as the minority phase

Large magnetization and frustration switching of magnetoresistance in the double-perovskite ferrimagnet Mn2FeReO6.

Science.gov (United States)

Arévalo-López, Angel M; McNally, Graham M; Attfield, J Paul

2015-10-05

Ferrimagnetic A2 BB'O6 double perovskites, such as Sr2 FeMoO6 , are important spin-polarized conductors. Introducing transition metals at the A-sites offers new possibilities to increase magnetization and tune magnetoresistance. Herein we report a ferrimagnetic double perovskite, Mn2 FeReO6 , synthesized at high pressure which has a high Curie temperature of 520 K and magnetizations of up to 5.0 μB which greatly exceed those for other double perovskite ferrimagnets. A novel switching transition is discovered at 75 K where magnetoresistance changes from conventional negative tunneling behavior to large positive values, up to 265 % at 7 T and 20 K. Neutron diffraction shows that the switch is driven by magnetic frustration from antiferromagnetic Mn(2+) spin ordering which cants Fe(3+) and Re(5+) spins and reduces spin-polarization. Ferrimagnetic double perovskites based on A-site Mn(2+) thus offer new opportunities to enhance magnetization and control magnetoresistance in spintronic materials. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

(La1-xSrx)0.98MnO3 perovskite with A-site deficiencies toward oxygen reduction reaction in aluminum-air batteries

Science.gov (United States)

Xue, Yejian; Miao, He; Sun, Shanshan; Wang, Qin; Li, Shihua; Liu, Zhaoping

2017-02-01

The strontium doped Mn-based perovskites have been proposed as one of the best oxygen reduction reaction catalysts (ORRCs) to substitute the noble metal. However, few studies have investigated the catalytic activities of LSM with the A-site deficiencies. Here, the (La1-xSrx)0.98MnO3 (LSM) perovskites with A-site deficiencies are prepared by a modified solid-liquid method. The structure, morphology, valence state and oxygen adsorption behaviors of these LSM samples are characterized, and their catalytic activities toward ORR are studied by the rotating ring-disk electrode (RRDE) and aluminum-air battery technologies. The results show that the appropriate doping with Sr and introducing A-site stoichiometry can effectively tailor the Mn valence and increase the oxygen adsorption capacity of LSM. Among all the LSM samples in this work, the (La0.7Sr0.3)0.98MnO3 perovskite composited with 50% carbon (50%LSM30) exhibits the best ORR catalytic activity due to the excellent oxygen adsorption capacity. Also, this catalyst has much higher durability than that of commercial 20%Pt/C. Moreover, the maximum power density of the aluminum-air battery using 50%LSM30 as the ORRC can reach 191.3 mW cm-2. Our work indicates that the LSM/C composite catalysts with A-site deficiencies can be used as a promising ORRC in the metal-air batteries.

Magnetic and structural behavior of Sr2ZrMnO6 double perovskite

International Nuclear Information System (INIS)

Llamosa, D.P.; Landinez Tellez, D.A.; Roa-Rojas, J.

2009-01-01

We report synthesis and characterization of new Sr 2 ZrMnO 6 manganite-like material. Samples were produced by the solid state reaction method with sinterization temperatures up to 1400 deg. C. X-ray diffraction experiments reveal that structure belongs to the perovskite system, space group Fm3-barm(no. 225). Lattice parameter a=7.86A was obtained by means of Rietveld-type refinement, through the GSAS code. Magnetic properties were studied by using an MPMS Quantum Design SQUID. From measurements of magnetization as a function of temperature, we determine the occurrence of a paramagnetic-antiferromagnetic transition with Neel temperature 50 K. Curie-Weiss fitting permitted to obtain the magnetic characteristic parameters. At temperature regimes below the Neel temperature, strong evidences of frustration and an irreversibility temperature between zero field cooling (ZFC) and field cooling (FC) measurements were observed. Curves of magnetization as a function of applied field were performed at T=4K. Results show a hysteretic feature for Sr 2 ZrMnO 6 magnetic material. This response is attributed to formation of magnetic clusters as a consequence of cationic (magnetic and no magnetic) disorder along the double perovskite structure.

Liquid flow deposited spinel (Ni,Mn){sub 3}O{sub 4} thin films for microbolometer applications

Energy Technology Data Exchange (ETDEWEB)

Le, Duc Thang, E-mail: ducthang36@skku.edu [Intelligent Electronic Component Team, Electronic Materials Convergence Division, Korea Institute of Ceramic Engineering and Technology, Seoul 153-801 (Korea, Republic of); School of Advanced Materials Science & Engineering, Sungkyunkwan University, Suwon 440-746 (Korea, Republic of); Jeon, Chang Jun; Lee, Kui Woong; Jeong, Young Hun; Yun, Ji Sun [Intelligent Electronic Component Team, Electronic Materials Convergence Division, Korea Institute of Ceramic Engineering and Technology, Seoul 153-801 (Korea, Republic of); Yoon, Dae Ho, E-mail: dhyoon@skku.edu [School of Advanced Materials Science & Engineering, Sungkyunkwan University, Suwon 440-746 (Korea, Republic of); Cho, Jeong Ho, E-mail: goedc@kicet.re.kr [Intelligent Electronic Component Team, Electronic Materials Convergence Division, Korea Institute of Ceramic Engineering and Technology, Seoul 153-801 (Korea, Republic of)

2015-03-01

Highlights: • Highly quality (Ni,Mn){sub 3}O{sub 4} thin films were grown using liquid flow deposited (LFD) technique. • It is possible to deposit multi–component manganite–oxide thin films by LFD at low temperatures. • Nickel–manganite films showed a good negative temperature coefficient (NTC) characteristic. • Liquid flow deposited (Ni,Mn){sub 3}O{sub 4} thin films are very potential for microbolometer applications. - Abstract: A liquid flow deposition (LFD) technique was initially used for the fabrication of single-component Mn{sub 3}O{sub 4} thin films onto Si wafer substrates at a range of substrate temperatures of 30–80 °C, with the introduction of an oxidizing reagent (H{sub 2}O{sub 2}). As a result, solid thin films were well formed from an aqueous solution. An X-ray diffraction (XRD) analysis showed typical characteristics of hausmannite Mn{sub 3}O{sub 4} with a spinel tetragonal phase. Field-emission scanning electron microscopy (FE-SEM) observations revealed nano-sized grains arranged uniformly on a dense and smooth surface for all of the as-deposited films. On the other hand, the LFD method was then extended to prepare two-component nickel–manganite films according to the binary chemical composition of Ni{sub x}Mn{sub 3−x}O{sub 4} with x = 0.02–0.2. The as-grown nickel–manganite films showed a surface with a good quality with a spherical bead-like architecture when x ≤ 0.10, while a conversion from spherical grains into highly porous nanowalls in the microstructure was noted in films when x ≥ 0.12. These results signify that it is possible to fabricate various multi-component manganite-oxide thin films at a low temperature. In addition, the dependences of the room-temperature electrical resistivity (ρ) and the temperature coefficient of resistance (TCR) on the Ni substitution level (x) were investigated on films annealed at 400 °C.

Colossal magnetoresistance of bulk Ag-doped Nd{sub 0.7}Sr{sub 0.3}MnO{sub 3} two-phase composites

Energy Technology Data Exchange (ETDEWEB)

Cui Xugao [National Laboratory of Solid State Microstructures, Department of Physics, Nanjing University, Nanjing 210093 (China); Hu Xiukun [National Laboratory of Solid State Microstructures, Department of Physics, Nanjing University, Nanjing 210093 (China); Xia Hongxu [National Laboratory of Solid State Microstructures, Department of Physics, Nanjing University, Nanjing 210093 (China); Yu Jiangying [National Laboratory of Solid State Microstructures, Department of Physics, Nanjing University, Nanjing 210093 (China); Zhang Shiyuan [National Laboratory of Solid State Microstructures, Department of Physics, Nanjing University, Nanjing 210093 (China)]. E-mail: zsy@netra.nju.edu.cn

2005-05-17

We have prepared a series of bulk polycrystalline manganites with the nominal compositions, Nd{sub 0.7}Sr{sub 0.3}MnO{sub 3}-Ag {sub x} (x is the molar fraction) with x = 0.1, 0.2, 0.3, 0.4, 0.5 by conventional solid-state reaction. The X-ray diffraction patterns show that the sample Nd{sub 0.7}Sr{sub 0.3}MnO{sub 3} (x = 0) is a single-phase compound with the pseudocubic perovskite structure, while the Ag-doped samples are two-phase composites consisting of a ferromagnetic perovskite phase and a nonmagnetic Ag metal phase. For all the samples, the Curie temperature, T {sub C}, remains nearly the same (228 {+-} 2 K), but the maximum magnetoresistance in a magnetic field of 1 T at 222 K is enhanced strongly due to the addition of Ag, namely, from 45% for the Nd{sub 0.7}Sr{sub 0.3}MnO{sub 3} sample to 188, 277, 142, 158 and 151% for the Nd{sub 0.7}Sr{sub 0.3}MnO{sub 3}-Ag {sub x} samples with x = 0.1, 0.2, 0.3, 0.4, and 0.5, respectively. This magnetoresistance-enhancement phenomenon can be attributed to the spin-dependent scattering of the spin-polarized electrons at the interfaces between the perovskite grains and the Ag granules.

Oxygen evolution from BF3/MnO4-.

Science.gov (United States)

Yiu, Shek-Man; Man, Wai-Lun; Wang, Xin; Lam, William W Y; Ng, Siu-Mui; Kwong, Hoi-Ki; Lau, Kai-Chung; Lau, Tai-Chu

2011-04-14

MnO(4)(-) is activated by BF(3) to undergo intramolecular coupling of two oxo ligands to generate O(2). DFT calculations suggest that there should be a spin intercrossing between the singlet and triplet potential energy surfaces on going from the active intermediate [MnO(2)(OBF(3))(2)](-) to the O···O coupling transition state.

Prediction of possible CaMnO3 modifications using an ab initio minimization data-mining approach.

Science.gov (United States)

Zagorac, Jelena; Zagorac, Dejan; Zarubica, Aleksandra; Schön, J Christian; Djuris, Katarina; Matovic, Branko

2014-10-01

We have performed a crystal structure prediction study of CaMnO3 focusing on structures generated by octahedral tilting according to group-subgroup relations from the ideal perovskite type (Pm\\overline 3 m), which is the aristotype of the experimentally known CaMnO3 compound in the Pnma space group. Furthermore, additional structure candidates have been obtained using data mining. For each of the structure candidates, a local optimization on the ab initio level using density-functional theory (LDA, hybrid B3LYP) and the Hartree--Fock (HF) method was performed, and we find that several of the modifications may be experimentally accessible. In the high-pressure regime, we identify a post-perovskite phase in the CaIrO3 type, not previously observed in CaMnO3. Similarly, calculations at effective negative pressure predict a phase transition from the orthorhombic perovskite to an ilmenite-type (FeTiO3) modification of CaMnO3.

A -Site Ordered Double Perovskite CaMnTi ₂ O ₆ as a Multifunctional Piezoelectric and Ferroelectric–Photovoltaic Material

Energy Technology Data Exchange (ETDEWEB)

Gou, Gaoyang [Frontier Institute; Charles, Nenian [Department of Materials Science and Engineering, Drexel University, Philadelphia, Pennsylvania 19104, United States; Shi, Jing [MOE Key Laboratory; Rondinelli, James M. [Department; Materials Science Division, Argonne National Laboratory, Argonne, Illinois 60439, United States

2017-09-11

The double perovskite CaMnTi2O6, is a rare A site ordered perovskite oxide that exhibits a sizable ferroelectric polarization and relatively high Curie temperature. Using first-principles calculations combined with detailed symmetry analyses, we identify the origin of the ferroelectricity in CaMnTi2O6. We further explore the material properties of CaMnTi2O6, including its ferroelectric polarization, dielectric and piezoelectric responses, magnetic order, electronic structure, and optical absorption coefficient. It is found that CaMnTi2O6 exhibits room-temperature-stable ferroelectricity and moderate piezoelectric responses. Moreover, CaMnTi2O6 is predicted to have a semiconducting energy band gap similar to that of BiFeO3, and its band gap can further be tuned-via distortions of the planar Mn-O bond lengths. CaMnTi2O6 exemplifies a new class of single-phase semiconducting ferroelectric perovskites for potential applications in ferroelectric photovoltaic solar cells.

Facile fabrication of composited Mn_3O_4/Fe_3O_4 nanoflowers with high electrochemical performance as anode material for lithium ion batteries

International Nuclear Information System (INIS)

Zhao, Dianyun; Hao, Qin; Xu, Caixia

2015-01-01

Graphical abstract: Mn_3O_4/Fe_3O_4 nanoflowers are successfully prepared through one step dealloying of Mn_5Fe_5Al_9_0 alloy at room temperature. This hierarchical flower-like structure with consists of a packed array of uniform regular hexagon-like nanoslices. Combined with the specific hierarchical flower-like architecture and the synergistic effect exerted by Mn_3O_4 and Fe_3O_4, the nanocomposite exhibits enhanced performance as anode material for lithium ion batteries than pure Mn_3O_4 and Fe_3O_4 anode. - Highlights: • Mn_3O_4/Fe_3O_4 nanoflowers are easily prepared by one step dealloying method. • The nanoflowers consist of packed regular nanoslices with interconnected voids. • Mn_3O_4/Fe_3O_4 nanoflowers deliver higher discharge capacity than Mn_3O_4 and Fe_3O_4. • Mn_3O_4/Fe_3O_4 nanoflowers show lower initial irreversible loss than Mn_3O_4 anode. - Abstract: Mn_3O_4/Fe_3O_4 nanoflowers with controllable components are simply fabricated through one step etching of the Mn_5Fe_5Al_9_0 ternary alloy. The as-made hierarchical flower-like structure with interconnected voids consists of a packed array of uniform regular hexagon-like nanoslices. Based on the simple dealloying strategy the target metals are directly converted to uniform nanocomposite composed of Mn_3O_4 and Fe_3O_4 species. With the unique hierarchical flower-like structure and the synergistic effects between Mn_3O_4 and Fe_3O_4, the nanocomposite exhibits higher performance as anode material for lithium ion batteries than that of pure Mn_3O_4 and Fe_3O_4 anodes. The Mn_3O_4/Fe_3O_4 nanocomposite deliver much higher discharge capacity and lower initial irreversible loss than Mn_3O_4 anode. The Mn_3O_4/Fe_3O_4 anode material also shows an excellent cycling stability at the high rate of 1500 mA g"−"1 with outstanding rate capability. With the advantages of simple preparation and excellent electrochemical performance, Mn_3O_4/Fe_3O_4 nanoflowers manifest great application potential as

Growth of multiferroic Gd1-xYxMnO3 single crystals by optical floating zone technique

International Nuclear Information System (INIS)

Sarguna, R.M.; Ganesamoorthy, S.; Sridharan, V.; Subramanian, N.

2014-01-01

Rare earth manganites RMnO 3 with distorted perovskite structure are excellent multiferroic materials. The discovery of magnetic spin driven ferroelectricity in orthorhombic manganites (TbMnO 3 ) has sparked a surge in research into understanding the fundamental mechanism of multiferroic behavior. These systems fall under the category of type-2 multiferroics, the change of spatially modulated magnetic moment from sinusoidal to cycloidal gives rise to electric polarization. The magnetic structure depends upon the Mn-O-Mn bond angle. GdMnO 3 shows multiferroic properties only in the presence of applied magnetic field. When a magnetic field is applied along the b-axis, GdMnO 3 enters a ferroelectric state with an electric polarisation along the c-axis. By altering the Mn-O-Mn angle it is expected that GdMnO 3 will show multiferroic property even in the absence of magnetic field like TbMnO 3 . To alter the Mn-O-Mn bond angle GdMnO 3 was substituted with Y having lower ionic radius at Gd site. The effect of Y doping at the rare-earth site in GdMnO 3 investigated on polycrystalline samples of Gd 1-x Y x MnO 3 demonstrated a magneto-electric coupling in x=0.1-0.4. Single crystals are expected to give much amplified signal in respect of ferroelectric and magnetic properties. In this work we have grown Y substituted Gd 1-x Y x MnO 3 (x = 0.2, 0.3 and 0.4) by optical floating zone technique under different gas atmosphere. Growth rate of 1-2 mm/h yielded crack free crystals. Quality of the crystals was checked using Laue diffraction. Effect of growth rate and atmosphere pressure will be presented in this talk. (author)

Improved Charge Transfer in a Mn2O3@Co1.2Ni1.8O4 Hybrid for Highly Stable Alkaline Direct Methanol Fuel Cells with Good Methanol Tolerance.

Science.gov (United States)

Liu, Yan; Chen, Yuanzhen; Li, Sai; Shu, Chenyong; Fang, Yuan; Song, Bo

2018-03-21

A three-dimensional Mn 2 O 3 @Co 1.2 Ni 1.8 O 4 hybrid was synthesized via facile two-step processes and employed as a cathode catalyst in direct methanol fuel cells (DMFCs) for the first time. Because of the unique architecture with ultrathin and porous nanosheets of the Co 1.2 Ni 1.8 O 4 shell, this composite exhibits better electrochemical performance than the pristine Mn 2 O 3 . Remarkably, it shows excellent methanol tolerance, even in a high concentration solution. The DMFC was assembled with Mn 2 O 3 @Co 1.2 Ni 1.8 O 4 , polymer fiber membranes, and PtRu/C as the cathode, membrane, and anode, respectively. The power densities of 57.5 and 70.5 mW cm -2 were recorded at 18 and 28 °C, respectively, especially the former is the best result reported in the literature at such a low temperature. The stability of the Mn 2 O 3 @Co 1.2 Ni 1.8 O 4 catalyzed cathode was evaluated, and the results show that this compound possesses excellent stability in a high methanol concentration. The improved electrochemical activity could be attributed to the narrow band gap of the hybrid, which accelerates the electrons jumping from the valence band to the conduction band. Therefore, Mn III could be oxidized into Mn IV more easily, simultaneously providing an electron to the absorbed oxygen.

Formation enthalpies of LaLn'O{sub 3} (Ln'=Ho, Er, Tm and Yb) interlanthanide perovskites

Energy Technology Data Exchange (ETDEWEB)

Qi, Jianqi [Peter A. Rock Thermochemistry Laboratory and NEAT ORU, University of California, Davis, CA 95616 (United States); College of Physical Science and Technology, Sichuan University, Chengdu 610064 (China); Key Laboratory of Radiation Physics and Technology of Ministry of Education, Sichuan University, Chengdu 610064 (China); Key Laboratory of High Energy Density Physics of Ministry of Education, Sichuan University, Chengdu 610064 (China); Guo, Xiaofeng [Peter A. Rock Thermochemistry Laboratory and NEAT ORU, University of California, Davis, CA 95616 (United States); Mielewczyk-Gryn, Aleksandra [Peter A. Rock Thermochemistry Laboratory and NEAT ORU, University of California, Davis, CA 95616 (United States); Faculty of Applied Physics and Mathematics, Department of Solid State Physics, Gdansk University of Technology, Narutowicza 11/12, 80-233 Gdansk (Poland); Navrotsky, Alexandra, E-mail: anavrotsky@ucdavis.edu [Peter A. Rock Thermochemistry Laboratory and NEAT ORU, University of California, Davis, CA 95616 (United States)

2015-07-15

High-temperature oxide melt solution calorimetry using 3Na{sub 2}O·MoO{sub 3} at 802 °C was performed for interlanthanide perovskites LaLn'O{sub 3} (Ln'=Ho, Er, Tm and Yb) and lanthanide oxides (La{sub 2}O{sub 3}, Ho{sub 2}O{sub 3}, Er{sub 2}O{sub 3}, Tm{sub 2}O{sub 3} and Yb{sub 2}O{sub 3}). The enthalpies of formation of these interlanthanide perovskites from binary lanthanide oxides at room temperature (25 °C) were determined to be −8.3±3.4 kJ/mol for LaHoO{sub 3}, −9.9±3.0 kJ/mol for LaErO{sub 3}, −10.8±2.7 kJ/mol for LaTmO{sub 3} and −12.3±2.9 kJ/mol for LaYbO{sub 3}. There is a roughly linear relationships between these enthalpy values and the tolerance factor for these and for other LaM{sup 3+}O{sub 3} (M=In, Sc, Ga, Al, Fe and Cr) perovskites, confirming that the distortion of the perovskites as results from ionic radius difference of A-site and B-site cations, is the main factor determining the stability of these compounds. - Graphical abstract: A linear relationship between the enthalpy of formation and the tolerance factor for interlanthanide LaLn'O{sub 3} (Ln'=Ho, Er, Tm, and Yb) and other LaM{sup 3+}O{sub 3} (M=In, Sc, Ga, Al, Fe and Cr) perovskites. - Highlights: • Interlanthanide perovskites were synthesized by solid state reactions. • Their enthalpies of formation were measured by oxide melt solution calorimetry. • ΔH{sub f,ox} shows a linear relationship with tolerance factor.

One-pot synthesis of a Ni–Mn3O4 nanocomposite for supercapacitors

International Nuclear Information System (INIS)

Xu, Guo-rong; Shi, Jin-jin; Dong, Wen-hao; Wen, Ya; Min, Xiang-ping; Tang, An-ping

2015-01-01

Highlights: • Ni–Mn 3 O 4 nanocomposites have been synthesized simply. • Mn 3 O 4 particles were deposited on surface of Ni particles with OH functional groups. • Ni–Mn 3 O 4 composites could be quickly conditioned to birnessite-type MnO 2 . • A specific capacitance of 230 F g −1 was obtained for Ni (17.3%)–Mn 3 O 4 nanocomposite. - Abstract: Ni–Mn 3 O 4 nanocomposite has been prepared successfully by chemical oxidation in an alkaline solution of Mn 2+ on the surface of Ni nanoparticles with OH functional groups using one-pot method. The obtained Ni–Mn 3 O 4 nanocomposite was characterized using a scanning electron microscope (SEM), a transmission electron microscope (TEM), X-ray diffraction (XRD) analysis and various electrochemical techniques, such as cyclic voltammetry (CV), galvanostatic charge/discharge (GC/D) and electrochemical impedance spectroscopy (EIS). The average crystal sizes of Mn 3 O 4 were found to decrease linearly with increasing Ni content in the Ni–Mn 3 O 4 composite. The Ni–Mn 3 O 4 nanocomposite could be easily conditioned and inverted to birnessite-type MnO 2 . A specific capacitance of 230 F g −1 (based on pure Mn 3 O 4 ) was obtained for the Ni (17.3%)–Mn 3 O 4 nanocomposite at a current rate of 0.25 A g −1 , and 94% of the initial capacitance was retained after 1000 GC/D cycles at a current rate of 1 A g −1 . It is concluded that the Ni–Mn 3 O 4 nanocomposite is a promising electrode materials for supercapacitors

Novel detached system to MnCO3 nanowires: A self-sacrificing template for homomorphous Mn3O4 and α-Mn2O3 nanostructures

International Nuclear Information System (INIS)

Lei Shuijin; Peng Xiaomin; Li Xiuping; Liang Zhihong; Yang Yi; Cheng Baochang; Xiao Yanhe; Zhou Lang

2011-01-01

Research highlights: → A novel detached system along with solvothermal treatment was developed. → Radially aggregated MnCO 3 nanowires were successfully fabricated. → The detached system, solvent, surfactant and reaction time were important. → MnCO 3 nanowires could act as the self-sacrificing template for Mn 3 O 4 and α-Mn 2 O 3 . - Abstract: MnCO 3 , an important raw material, exhibits attractive properties and significant industrial applications. However, few concerns have been raised on the fabrication of its 1D nanostructures. In this paper, a novel detached system was successfully employed for the preparation of MnCO 3 nanowires by a surfactant-assisted solvothermal treatment using N,N-dimethylformamide as the solvent and cetyltrimethylammonium bromide as the surfactant. X-ray powder diffraction, scanning electron microscopy and transmission electron microscopy were employed to study the crystal structure and morphologies of the products. Experiments showed that the detached system, solvent, surfactant and reaction time were critical for the formation of the MnCO 3 nanowires. The thermal characterization was studied by differential scanning calorimetric analysis and thermogravimetric analysis measurements. The experimental results demonstrated that the as-prepared MnCO 3 nanocrystals can act as an efficient precursor for production of homomorphous Mn 3 O 4 and α-Mn 2 O 3 nanostructures by calcination at 400 deg. C under the atmosphere of argon and air, respectively. A possible growth mechanism for the MnCO 3 nanowires was also proposed.

Rechargable xLi{sub 2}MnO{sub 3}·(1 − x)Li{sub 4/3}Mn{sub 5/3}O{sub 4} electrode nanocomposite material as a modification product of chemical manganese dioxide by lithium additives

Energy Technology Data Exchange (ETDEWEB)

Sokolsky, Georgii V., E-mail: gvsokol@rambler.ru [National University of Food Technologies, Volodymyrska st., 70, 01033 Kyiv (Ukraine); National Aviation University, Cosmonaut Komarov Avenue 1, 04058 Kiev 58 (Ukraine); Ivanov, Sergiy V. [National University of Food Technologies, Volodymyrska st., 70, 01033 Kyiv (Ukraine); Boldyrev, Eudgene I.; Ivanova, Natalya D. [Institute of General and Inorganic Chemistry of Ukrainian National Academy of Science, Palladin Avenue 32-34, 252680 Kiev 142 (Ukraine); Kiporenko, Oksana Ya. [The Ukrainian Physics and Mathematics Lyceum, Akademika Glushkova Avenue 6, 03680, Kyiv (Ukraine)

2015-12-15

Highlights: • Li-ion battery cathode preparation procedure included MnO{sub 2} modification by Li-salts with subsequent heat treatment. • Li{sub 4}Mn{sub 5}O{sub 12}, Li{sub 2}MnO{sub 3,} and Li-rich phases form active nanocomposite cathode. • Heat treatment mode is of crucial importance for rechargeability. • Cathode material capacity is 150 mA h g{sup −1} within 2.5–4.5 V. - Abstract: Relatively simple preparation procedure of rechargeable Li-ion battery cathode material via manganese dioxide treatment with Li-containing additive and subsequent calcination has been demonstrated. X-ray diffraction, infrared spectroscopy, thermogravimetric analysis, and atomic force microscopy study were characterisation methods of modification products. Pyrolusite, Li{sub 0.3}MnO{sub 2}, layered Li{sub 2}MnO{sub 3}, and spinel Li{sub 4}Mn{sub 5}O{sub 12} phases were revealed as products of initial ramsdellite phase transformations at temperatures of heat treatment ranging from 360 °C to 600 °C. Optimal temperature of final heat treatment from the point of view of rechargeability and discharge characteristics was 450 °C. Samples heat-treated at 450 °C are characterized by the unique combination of Li{sub 4/3}Mn{sub 5/3}O{sub 4} and Li{sub 2}MnO{sub 3} phase components due to their structural integration, a significant degree of disordering, and sizes of nanocrystallites with Li diffusion path, which is the most favourable for reversibility. The prepared nanocomposite cathode material delivers a capacity of 150 mA h g{sup −1} within 2.5–4.5 V at 0.1 mA discharge.

Determination of the electronic, dielectric, and optical properties of sillenite Bi12TiO20 and perovskite-like Bi4Ti3O12 materials from hybrid first-principle calculations

KAUST Repository

Lardhi, Sheikha F.; Noureldine, Dalal; Harb, Moussab; Ziani, Ahmed; Cavallo, Luigi; Takanabe, Kazuhiro

2016-01-01

Density functional theory calculation was conducted to determine the optoelectronic properties of bismuthtitanate sillenite (Bi12TiO20) and perovskite-like (Bi4Ti3O12) structures. The lattice parameters were experimentally obtained from Rietveld analysis. The density functional perturbation theory approach was used with the standard Perdew–Burke–Ernzerhof functional and screened Coulomb hybrid Heyd–Scuseria–Ernzerhof functional to investigate the electronic structure and absorption coefficient. Both compounds have good carrier transport properties, low effective hole and electron masses, high dielectric constant, and low exciton binding energy.

Determination of the electronic, dielectric, and optical properties of sillenite Bi12TiO20 and perovskite-like Bi4Ti3O12 materials from hybrid first-principle calculations

KAUST Repository

Lardhi, Sheikha F.

2016-04-05

Density functional theory calculation was conducted to determine the optoelectronic properties of bismuthtitanate sillenite (Bi12TiO20) and perovskite-like (Bi4Ti3O12) structures. The lattice parameters were experimentally obtained from Rietveld analysis. The density functional perturbation theory approach was used with the standard Perdew–Burke–Ernzerhof functional and screened Coulomb hybrid Heyd–Scuseria–Ernzerhof functional to investigate the electronic structure and absorption coefficient. Both compounds have good carrier transport properties, low effective hole and electron masses, high dielectric constant, and low exciton binding energy.

Molecular dynamics simulations of spinels: LiMn2O4 and Li4Mn5O12 at high temperatures

International Nuclear Information System (INIS)

Ledwaba, R S; Matshaba, M G; Ngoepe, P E

2015-01-01

Energy storage technologies are critical in addressing the global challenge of clean sustainable energy. Spinel lithium manganates have attracted attention due to their electrochemical properties and also as promising cathode materials for lithium-ion batteries. The current study focused on the effects of high temperatures on the materials, in order to understand the sustainability in cases where the battery heats up to high temperature and analysis of lithium diffusion aids in terms of intercalation host compatibility. It is also essential to understand the high temperature behaviour and lithium ion host capability of these materials in order to perform the armorphization and recrystalization of spinel nano-architectures. Molecular dynamics simulations carried out to predict high temperature behaviour of the spinel systems. The NVE ensemble was employed, in the range 300 - 3000K. The melting temperature, lithium-ion diffusion and structural behaviour were monitored in both supercell systems. LiMn 2 O 4 indicated a diffusion rate that increased rapidly above 1500K, just before melting (∼1700K) and reached its maximum diffusion at 2.756 × 10 -7 cm 2 s -1 before it decreased. Li 4 Mn 5 O 12 indicated an exponential increase above 700K reaching 8.303 × 10 −7 cm 2 s −1 at 2000K and allowing lithium intercalation even above its melting point of around 1300K. This indicated better structural stability of Li 4 Mn 5 O 12 and capability to host lithium ions at very high temperatures (up to 3000 K) compared to LiMn 2 O 4 . (paper)

Twinning microstructure and charge ordering in the colossal magnetoresistive manganite Nd1/2Sr1/2MnO3

International Nuclear Information System (INIS)

Luo, Z.P.; Miller, D.J.; Mitchell, J.F.

2000-01-01

Charge ordering (C.O.) in the colossal magnetoresistive (CMR) manganites gives rise to an insulating, high-resistance state. This charge ordered state can be melted into a low-resistance metallic-like state by the application of magnetic field. Thus, the potential to attain high values of magnetoresistance with the application of small magnetic fields may be aided by a better understanding of the charge-ordering phenomenon. This study focused on microstructural characterization in Nd 1/2 Sr 1/2 MnO 3 . In Nd 1/2 Sr 1/2 MnO 3 , the nominal valence of Mn is 3.5+. On cooling, charge can localize and lead to a charge ordering between Mn 3+ and Mn 4+. The ordering of charge results in a superlattice structure and a reduction in symmetry. Thin foil specimens were prepared from bulk samples by conventional thinning and ion milling (at LiqN 2 temperature) methods. The room temperature TEM observation of Nd 1/2 Sr 1/2 MnO 3 reveals that it contains a highly twinned microstructure, together with a small number of stacking faults (SFS). A figure shows the same area of the specimen at different zone axes obtained by tilting around two perpendicular directions as indicated. Three grains A, B and C are labeled for each of the zone axes. The room temperature EDPs from the matrix and twins shows an approximate 90degree rotation suggesting a 90degree twin orientation. These results are further confirmed by C.O. at low temperatures. The twinning planes can be determined by tilting with large angles

Hexagonal perovskites with cationic vacancies. 13. Rhombohedral 12 L-stacking polytypes Ba/sub 4/M/sub 2/sup(V)WvacantO/sub 12/ with Msup(V) = Nb, Ta

Energy Technology Data Exchange (ETDEWEB)

Kemmler-Sack, S [Tuebingen Univ. (Germany, F.R.)

1979-10-01

The white quaternary oxides Ba/sub 4/Nb/sub 2/WvacantO/sub 12/ and Ba/sub 4/Ta/sub 2/WvacantO/sub 12/ belong to the group of hexagonal perovskites with cationic vacancies. They crystallize in the rhombohedral 12 L-type: Sequence (3)(1) = (hhcc)/sub 3/; space group R/sup -/3m (Ba/sub 4/Nb/sub 2/WvacantO/sub 12/: a = 5.77/sub 6/ A; c = 28.0/sub 55/ A; Ba/sub 4/Ta/sub 2/WvacantO/sub 12/: a = 5.77/sub 3/ A; c = 28.0/sub 75/ A; Z = 3).

Synthesis and magnetic characterization of LaMnO{sub 3} nanoparticles

Energy Technology Data Exchange (ETDEWEB)

Hernandez, E.; Sagredo, V. [Universidad de Los Andes, Facultad de Ciencias, Laboratorio de Magnetismo, 5101 Merida (Venezuela, Bolivarian Republic of); Delgado, G. E. [Universidad de Los Andes, Facultad de Ciencias, Laboratorio de Cristalografia, 5101 Merida (Venezuela, Bolivarian Republic of)

2015-07-01

LaMnO{sub 3} nanoparticles system were prepared by the sol-gel auto-combustion method, in order to analyze the structure and magnetic behavior presented by the compound prepared following a new alternative route of synthesis. Structural characterization, morphology and crystallite size was performed by X-ray diffraction (XRD), infrared spectroscopy (IR) and electron microscopy. The XRD study together with a Rietveld analysis showed that the LaMnO{sub 3} compound crystallized in a perovskite hexagonal structure. The IR spectra showed that the compound has tensile energy bands in the Mn-O-Mn bonds related with the octahedron MnO{sub 6}; which are attributed to a characteristic vibration of the ABO{sub 3} perovskite. An estimated size and morphological analysis was carried out by applying the Scherrer formula and using transmission electron microscopy, revealing non-spherical shape and particle sizes between 13 nm and 18 nm. The magnetic measurements M(T) were performed by using zero field-cooled and field-cooled protocols which revealed a positive Weiss temperature indicating the presence of ferromagnetic interactions with a Curie temperature, T{sub C} = 150 K. (Author)

Role of grain size on magnetic properties of La0.7Sr0.3MnO3

International Nuclear Information System (INIS)

Yadav, Priyanka A.; Adhi, K.P.; Patil, S.I.; Deshmukh, Alka V.

2012-01-01

The perovskite compound has the form ABO 3 , where A site is rare earth element and B site is occupied by Mn ions. Undoped perovskite Manganites like LaMnO 3 is antiferromagnetic insulator. While divalent doped Manganites of the form R (1-x) A x MnO 3 (where R: Trivalent rare earth ion, A: divalent alkali ion) exhibit properties like insulator to metal and paramagnetic to ferromagnetic transitions, colossal magnetoresistance, charge ordered behaviour, phase separation etc. Divalent doping (e.g. Ca, Sr, Ba) causes Mn 3+ to change in Mn 4+ state far charge compensation, depending on the doping concentration. During last decade, lot of work has been carried out on single crystal and polycrystalline perovskite Manganites. But very few reports have been found on nanoparticles of hole doped Manganites. Hence to study the effect of particle size on the properties of perovskite Manganites, we have synthesized the nanosized powder of La 0.7 Sr 0.3 MnO 3 (LSMO) by using citrate-gel method. The samples are sintered from 600-1200 ° C by the step of 50° C for four hours. The size of particles was determined using X-ray diffraction and Field Emission Scanning Electron Microscopy technique. The average particle size is in the range 17-20 nm for sample prepared at 600° C. It was found that size of nanoparticles increased with increasing sintering temperature. Magnetization measurements of the sample were carried out with the help of Vibrating Sample Magnetometer (VSM) at room temperature. Saturation magnetization was found to be increased with increasing particle size giving evidence of formation of dead magnetic layer on the surface. The coercivity of nanoparticles follows the same trend as explained by Cullity. A.C. susceptibility measurements for these samples show systematic increase in magnetic transition temperature and approach the bulk value with increase in the particle size. (author)

Chemical vapor deposition and electric characterization of perovskite oxides LaMO3 (M=Co, Fe, Cr and Mn) thin films

International Nuclear Information System (INIS)

Ngamou, Patrick Herve Tchoua; Bahlawane, Naoufal

2009-01-01

Oxides with a perovskite structure are important functional materials often used for the development of modern devices. In view of extending their applicability, it is necessary to efficiently control their growth as thin films using technologically relevant synthesis methods. Pulsed spray evaporation CVD was used to grow several perovskite-type oxides on planar silicon substrates at temperatures ranging from 500 to 700 deg. C. The optimization of the process control parameters allows the attainment of the perovskite structure as a single phase. The electrical characterization using the temperature-dependent conductivity and thermopower indicates the p-type conduction of the grown films and shows a decreasing concentration of the charge carrier, mobility and band gap energy in the sequence LaCoO 3 >LaMnO 3 >LaCrO 3 >LaFeO 3 . The investigation of the electric properties of the obtained perovskite thin films shows the versatility of CVD as a method for the development of innovative devices. - Graphical abstract: We report a single step deposition of perovskite thin films LaMO 3 (M: Co, Mn, Cr, Fe) using pulsed spray evaporation chemical vapor deposition. Electrical and thermopower properties, similar to these of bulk materials, could promote the development of modern thermoelectric devices based on thin films technology.

Magnetic and electrical transport properties of perovskite manganites Pr0.6Sr0.4MxMn1-xO3 (M = Fe, Co, Ni

Directory of Open Access Journals (Sweden)

X. S. Ge

2017-12-01

Full Text Available Powder samples of ABO3 perovskite manganites with the composition Pr0.6Sr0.4MxMn1-xO3 (M=Fe, Co, or Ni, 0.00≤x≤0.25 were synthesized using the sol-gel method. X-ray diffraction analyses showed that all three sets of samples had a single phase with an orthorhombic structure. The magnetic moment, μobs, of the samples at 10 K, decreased slowly for x≤0.10, whereas μobs decreased rapidly for x≥0.10. The dependences of μobs on the doping level x for the three series of samples were fitted successfully. In the fitting process, Mn, Fe, Co, and Ni cations were assumed to be trivalent, and the magnetic moment directions of Fe3+, Co3+, and Ni3+ cations were assumed to be canted antiferromagnetically coupled with Mn3+ cations. The cant angle ϕ decreased with the increase in x for x≤0.10 for Fe- and Ni-doped (x≤0.15 for Co-doped samples and increased rapidly when x≥0.10 (x≥0.15 for Co-doped samples. These properties are discussed using an oxygen 2p itinerant electron model, which is very similar to the oxygen 2p hole model proposed by Alexandrov et al. [Phys. Rev. Lett. 96, 117003 (2006].

Selective deintercalation of apex over face-shared oxide ions in the topotactic reduction of Sr7Mn4O15 to Sr7Mn4O12.

Science.gov (United States)

Hayward, M A

2004-01-21

Sodium hydride selectively deintercalates the apex rather than face-shared oxide ions within the structure of Sr(7)Mn(4)O(15) leading to the formation of the structurally related reduced phase Sr(7)Mn(4)O(12).

Synthesis and electrochemical properties of LiNi0.4Mn1.5Cr0.1O4 and Li4Ti5O12

CSIR Research Space (South Africa)

Liu, GQ

2011-08-01

Full Text Available Spinel compound LiNi0.4Mn1.5Cr0.1O4 (LNMCO) and Li4Ti5O12 (LTO) were synthesized by the sol-gel method and the solid-state method, respectively. The particle sizes of the products LiNi0.4Mn1.5Cr0.1O4 and Li4Ti5O12 were 0.5 to 2 um and 0.5 to 0.8 um...

Microstructural, Magnetic, and Optical Properties of Pr-Doped Perovskite Manganite La0.67Ca0.33MnO3 Nanoparticles Synthesized via Sol-Gel Process

Science.gov (United States)

Xia, Weiren; Wu, Heng; Xue, Piaojie; Zhu, Xinhua

2018-05-01

We report on microstructural, magnetic, and optical properties of Pr-doped perovskite manganite (La1 - xPrx)0.67Ca0.33MnO3 (LPCMO, x = 0.0-0.5) nanoparticles synthesized via sol-gel process. Structural characterizations (X-ray and electron diffraction patterns, (high resolution) TEM images) provide information regarding the phase formation and the single-crystalline nature of the LPCMO systems. X-ray and electron diffraction patterns reveal that all the LPCMO samples crystallize in perovskite crystallography with an orthorhombic structure ( Pnma space group), where the MnO6 octahedron is elongated along the b axis due to the Jahn-Teller effect. That is confirmed by Raman spectra. Crystallite sizes and grain sizes were calculated from XRD and TEM respectively, and the lattice fringes resolved in the high-resolution TEM images of individual LPCMO nanoparticle confirmed its single-crystalline nature. FTIR spectra identify the characteristic Mn-O bond stretching vibration mode near 600 cm- 1, which shifts towards high wavenumbers with increasing post-annealing temperature or Pr-doping concentration, resulting in further distortion of the MnO6 octahedron. XPS revealed dual oxidation states of Mn3+ and Mn4+ in the LPCMO nanoparticles. UV-vis absorption spectra confirm the semiconducting nature of the LPCMO nanoparticles with optical bandgaps of 2.55-2.71 eV. Magnetic measurements as a function of temperature and magnetic field at field cooling and zero-field cooling modes, provided a Curie temperature around 230 K, saturation magnetization of about 81 emu/g, and coercive field of 390 Oe at 10 K. Such magnetic properties and the semiconducting nature of the LPCMO nanoparticles will make them as suitable candidate for magnetic semiconductor spintronics.

Superconductivity at 108 K in the simplest non-toxic double-layer cuprate of Ba2CaCu2O4(O,F)2

International Nuclear Information System (INIS)

Shirage, P M; Shivagan, D D; Crisan, A; Tanaka, Y; Kodama, Y; Kito, H; Iyo, A

2008-01-01

We report the superconductivity in apical fluorine system of Ba 2 CaCu 2 O 6-y F y : the second member of Ba 2 Ca n-1 Cu n O 2n (O,F) 2 homologous series. The polycrystalline samples of Ba 2 CaCu 2 O 6-y F y (F-0212) were synthesized under high pressure as a parameter of nominal fluorine content (y). Samples with y = 2.0 ∼ 1.2 elucidating the very sharp superconducting transitions in temperature dependence of susceptibility from under doping state to slightly over doping state via optimal doping state. A remarkable highest T c of 108 K has been achieved for the sample synthesized from a nominal composition of Ba 2 CaCu 2 O 4.4 F 1.6 . This T c is highest among the double CuO 2 layered system except for that including toxic elements such as Hg and T1. The T c has been systematically controlled from 57 K to 108 K by controlling the doping state, by designing the starting composition of fluorine and oxygen. The strong dependence of the 'a' and 'c' lattice constants were found on the nominal F content. We propose the Ba 2 CaCu 2 O 4 (O,F) 2 as a promising material for practical use due to its high T c and non-toxicity with a simple crystal structure

Shell model for BaTiO3-Bi(Zn1/2Ti1/2)O3 perovskite solid solutions

Science.gov (United States)

Vielma, J.; Jackson, D.; Roundy, D.; Schneider, G.

2010-03-01

Even though the composition of BaTiO3-Bi(Zn1/2Ti1/2)O3 perovskite solid solutions is similar to other ferroelectric compounds, the dielectric response is unusual. Results of permittivity measurements as a function of temperature show a diffuse phase transition indicative of a weakly coupled relaxor behavior.footnotetextC. C. Huang and D. P. Cann, J. Appl. Phys. 104, 024117 (2008) To investigate the weakly coupled relaxor behavior in these materials at intermediate length scales we are developing a newly calibrated shell model based on first-principles supercell calculations of both the solid solution and its compositional endpoints. Initial results for its phase diagram will presented.

A facile route to synthesize multiporous MnCo2O4 and CoMn2O4 spinel quasi-hollow spheres with improved lithium storage properties

Science.gov (United States)

Li, Jingfa; Xiong, Shenglin; Li, Xiaowei; Qian, Yitai

2013-02-01

A facile and general way for the synthesis of porous and hollow complex oxides is highly desirable owing to their significant applications for energy storage and other fields. In this contribution, uniform Mn0.33Co0.67CO3 and Co0.33Mn0.67CO3 microspheres are firstly fabricated solvothermally just by tuning the molar ratio of Mn and Co. Subsequently, the growth of multiporous MnCo2O4 and CoMn2O4 quasi-hollow microspheres by topotactic chemical transformation from the corresponding precursors are realized through a non-equilibrium heat treatment process. Topotactic conversion further demonstrated that the much larger CoMn2O4 pores than those of MnCo2O4 are possibly due to the longer transfer distance of ions. When evaluated as anode materials for LIBs (lithium ion batteries), after 25 cycles at a current density of 200 mA g-1, the resultant MnCo2O4 and CoMn2O4 quasi-hollow microspheres possessed reversible capacities of 755 and 706 mA h g-1, respectively. In particular, the MnCo2O4 samples could deliver a reversible capacity as high as 610 mA h g-1 even at a higher current density of 400 mA g-1 with excellent electrochemical stability after 100 cycles of testing, indicating its potential application in LIBs. We believe that such good performance results from the appropriate pore size and quasi-hollow nature of MnCo2O4 microspheres, which can effectively buffer the large volume variation of anodes based on the conversion reaction during Li+ insertion/extraction. The present strategy is simple but very effective, and due to its versatility, it can be extended to other binary, even ternary complex metal oxides with high-performance in LIBs.A facile and general way for the synthesis of porous and hollow complex oxides is highly desirable owing to their significant applications for energy storage and other fields. In this contribution, uniform Mn0.33Co0.67CO3 and Co0.33Mn0.67CO3 microspheres are firstly fabricated solvothermally just by tuning the molar ratio of Mn and Co

Electrodeposited Mn3O4-NiO-Co3O4 as a composite electrode material for electrochemical capacitor

International Nuclear Information System (INIS)

Rusi; Majid, S.R.

2015-01-01

Highlights: • Composite electrodes were synthesized by in situ electrodeposition method. • The highest specific capacitance of composite electrode is 7404 F g −1 . • The power density of composite electrode is 99 kW kg −1 at current density of 20 A g −1 . • The addition of K 3 Fe(CN) 6 in KOH electrolyte has improved the electrochemical performance. - Abstract: A simple and easy galvanostatic electrodeposition method is used to synthesise a composite electrode consisting of manganese oxide (Mn 3 O 4 ), nickel oxide (NiO) and cobalt oxide (Co 3 O 4 ). The influence of Co 3 O 4 on the morphology of fixed Mn 3 O 4 -NiO particles is investigated with a field emission scanning electron microscope (FESEM) and transmission electron microscope (TEM). The nature and elemental of the composite are examined by means of X-ray diffraction (XRD) and energy dispersive X-ray spectroscopy (EDX). The electrochemical performances of an Mn 3 O 4 -NiO-Co 3 O 4 nanostructure/SS composite electrode are studied by cyclic voltammetry (CV) and galvanostatic charge-discharge (CD) in various electrolytes, i.e. 0.5 M Na 2 SO 4 , 0.5 M KOH, 0.5 M Na 2 SO 4 /0.04 M K 3 Fe(CN) 6 and 0.5 M KOH/0.04 M K 3 Fe(CN) 6 electrolytes. The composite electrode prepared from 0.15 M Co deposition solution exhibits the optimum specific capacitance of 7404 F g −1 with high energy and power density of 1028 Wh kg −1 and 99 kW kg −1 at 20 A g −1 in mix KOH/0.04 M K 3 Fe(CN) 6 electrolyte, respectively. The results show that the incorporation of K 3 Fe(CN) 6 in KOH electrolyte influences the capacitance of Mn 3 O 4 -NiO-Co 3 O 4 composite electrodes

Oxidative and antibacterial activity of Mn{sub 3}O{sub 4}

Energy Technology Data Exchange (ETDEWEB)

Chowdhury, Al-Nakib, E-mail: nakib@chem.buet.ac.bd [Department of Chemistry, Bangladesh University of Engineering and Technology, Dhaka-1000 (Bangladesh); Azam, Md. Shafiul, E-mail: azam@ualberta.ca [Department of Chemistry, Bangladesh University of Engineering and Technology, Dhaka-1000 (Bangladesh); Aktaruzzaman, Md.; Rahim, Abdur [Department of Chemistry, Bangladesh University of Engineering and Technology, Dhaka-1000 (Bangladesh)

2009-12-30

Mn{sub 3}O{sub 4} nanoparticles with diameter ca. 10 nm were synthesized by the forced hydrolysis of Mn(II) acetate at 80 deg. C. The X-ray diffraction (XRD), Fourier transform infra red (FT-IR) spectroscopy, scanning electron microscopy (SEM) and energy dispersive X-ray (EDX) techniques were employed to study structural features and chemical composition of the nanoparticles. The unique oxidative activity of the Mn{sub 3}O{sub 4} nanoparticles was demonstrated in the polymerization and dye degradation reactions. On adding Mn{sub 3}O{sub 4} suspension to an acidic solution of aniline, yielded immediately green sediment of polyaniline (PANI). The organic dyes, viz., methylene blue (MB) and procion red (PR) were found to be completely decolorized from their aqueous solution on treating the dyes with Mn{sub 3}O{sub 4} suspension in acidic media. The Mn{sub 3}O{sub 4} nanoparticles also showed a clear antibacterial activity against the Vibrio cholerae, Shigella sp., Salmonella sp., and Escherichi coli bacteria that cause cholera, dysentery, typhoid, and diarrhea diseases, respectively.

Spin glass properties of Y0.7Ca0.3MnO3 and Th0.35Ba0.37Ca0.28MnO3

Science.gov (United States)

Sedmidubský, D.; Hejtmánek, J.; Maryško, M.; Jirák, Z.; Hardy, V.; Martin, C.

2002-05-01

Two perovskite manganites with the same nominal concentration of Mn4+ have been studied by the magnetic susceptibility and specific heat measurements: the Y0.7Ca0.3MnO3 single crystal (YCa) with low tolerance factor and negligible ionic radii variance and the Th0.35Ba0.37Ca0.28MnO3 (ThBaCa) ceramics with favorable tolerance factor but huge substitution induced disorder. Both systems were found to possess an insulating ground state with activated conductivity. The ac susceptibility data exhibit a frequency dependent peak at Tsg=32 K for YCa and Tsg=43 K for ThBaCa. The Cole-Cole analysis revealed a sharper than exponential increase of the relaxation time for the former sample while almost linear slowly growing characteristics below Tsg were observed for the latter one. Using the heat capacity curves, the magnetic contribution was separated and magnetic peaks with typical linear on-set tails were obtained. This observation and the abovementioned characteristics are all indicative of spin or cluster glass character. The necessary magnetic frustration is here induced by a considerable tilting of MnO6 octahedra and deformation of Mn-O bonds which occur in a cooperative manner for YCa and locally for ThBaCa.

Thermally activated demagnetization in (La0.97 Ca0.03)0.96Mn0.96 O3-δ

International Nuclear Information System (INIS)

Alonso, J.M.; Arroyo, A.; Cortes-Gil, R.; Garcia, M.A.; Gonzalez-Calbet, J.M.; Gonzalez, J.M.; Hernando, A.; Rojo, J.M.; Vallet-Regi, M.

2005-01-01

We report on the temperature dependence of the relaxation properties of a Mn perovskite with overall composition (La 0.97 Ca 0.03 ) 0.96 (Mn 4+ 0.07 Mn 3+ 0.93 ) 0.96 O 2.90 .Our data are correlated with the simultaneous occurrence in the sample of metallic double-exchange magnetically coupled, Mn 4+ clusters and of insulating superexchange coupled regions.

Ag doped (Bi1.6Pb0.4Sr2CaCu2O8+δ textured rods

Directory of Open Access Journals (Sweden)

Díez, J. C.

2008-06-01

Full Text Available In this work, superconducting samples of (Bi1.6Pb0.4Sr2CaCu2O8+δ with Ag additions have been studied. (Bi1.6Pb0.4Sr2CaCu2O8+δ + x wt.% Ag (with x = 0, 1 and 3 powders were synthesized using a sol-gel method. The obtained powders were used as precursors to fabricate long textured cylindrical bars through a floating zone melting method. A drastic change on the microstructure has been found when comparing with undoped Bi2Sr2CaCu2O8+δ samples. The results showed that electrical resistivity at room temperature, critical current as well as flexural strength are improved when Ag is added to these Pb doped samples, while critical temperature does not change. On the other hand, it has been found that samples with composition (Bi1.6Pb0.4Sr2CaCu2O8+δ + Ag shown E-I curves with very high sharpness values on the zone of the superconducting to normal transition, reaching n-values (E∼In as high as 45 at 65K.Se han preparado polvos cerámicos de composición (Bi1.6Pb0.4Sr2CaCu2O8+δ + x % Ag en peso (con x = 0, 1 y 3 mediante un proceso sol-gel. Estos polvos se han utilizado para fabricar precursores que se texturaron por medio del método de fusión zonal flotante. Se ha encontrado un gran cambio en la microestructura cuando se compara con muestras de composición pura Bi2Sr2CaCu2O8+δ. Tanto la resistividad eléctrica a temperatura ambiente, como la corriente crítica, así como la resistencia a flexión se mejoran cuando la Ag se adiciona a estas muestras dopadas con Pb, mientras que no se observa cambio en la temperatura crítica. Por otra parte, se ha encontrado que las muestras de composición (Bi1.6Pb0.4Sr2CaCu2O8+δ + Ag presentan una gran pendiente de la curva E-I en la zona de transición entre el estado superconductor y el estado normal. Con estas composiciones, se han encontrado valores de n (E∼In de hasta 45 a 65K.

Synthesis and structural studies on cerium substituted La0.4Ca0.6MnO3 as solid oxide fuel cell electrode material

Science.gov (United States)

Singh, Monika; Kumar, Dinesh; Singh, Akhilesh Kumar

2018-04-01

For solid oxide fuel cell electrode material, calcium doped lanthanum manganite La0.4Ca0.6MnO3 (LCMO) and cerium-incorporated on Ca-site with composition La0.40Ca0.55Ce0.05MnO3 (LCCMO) were synthesized using most feasible and efficient glycine-nitrate method. The formation of crystalline single phase was confirmed by x-ray diffraction (XRD). The Rietveld analysis reveals that both systems crystallize into orthorhombic crystal structure with Pnma space group. Additionally, 8 mole % Y2O3 stabilized ZrO2 (8YSZ) solid electrolyte was also synthesized using high energy ball mill to check the reaction with electrode materials. It was found that the substitution of Ce+4 cations in LCMO perovskite suppressed formation of undesired insulating CaZrO3 phase.

Thermal decomposition study of Mn doped Fe3O4 nanoparticles

Science.gov (United States)

Malek, Tasmira J.; Chaki, S. H.; Tailor, J. P.; Deshpande, M. P.

2016-05-01

Fe3O4 is an excellent magnetic material among iron oxides. It has a cubic inverse spinel structure exhibiting distinguished electric and magnetic properties. In this paper the authors report the synthesis of Mn doped Fe3O4 nanoparticles by wet chemical reduction technique at ambient temperature and its thermal characterization. Ferric chloride hexa-hydrate (FeCl3•6H2O), manganese chloride tetra-hydrate (MnCl2•4H2O) and sodium boro-hydrate (NaBH4) were used for synthesis of Fe3O4 nanoparticles at ambient temperature. The elemental composition of the as-synthesized Mn doped Fe3O4 nanoparticles were determined by energy dispersive analysis of X-rays (EDAX) technique. Thermogravimetric (TG) and differential thermal analysis (DTA) were carried out on the Mn doped Fe3O4 nanoparticles in the temperature range of ambient to 1124 K. The thermo-curves revealed that the particles decompose by four steps. The kinetic parameters were evaluated using non-mechanistic equations for the thermal decomposition.

Hexagonal perovskites with cationic vacancies. 29. Structure of Ba/sub 4/ScReWvacantO/sub 12/ - on the function of octahedral cationic vacancies in perovskite stacking polytypes

Energy Technology Data Exchange (ETDEWEB)

Kemmler-Sack, S; Herrmann, M [Tuebingen Univ. (Germany, F.R.). Lehrstuhl fuer Anorganische Chemie 2

1981-09-01

The hexagonal perovskite stacking polytype Ba/sub 4/ScReWvacantO/sub 12/ crystallizes in a rhombohedral 12 L structure (space group R-3m; sequence (hhcc)/sub 3/). The refined, intensity related R' value is 6.6%. The octahedral net consists of blocks of three face connected octahedra with a central vacancy, in the two outer positions the rhenium and tungsten atoms are located; these units are linked via common corners by single octahedra, occupied with scandium. The construction principles of hexagonal oxygen perovskites with octahedral, cationic vacancies are reported.

Stress relaxation of La1/2Sr1/2MnO3 and La2/3Ca1/3MnO3 at solid oxide fuel cell interfaces

International Nuclear Information System (INIS)

Lussier, A.; Dvorak, J.; Stadler, S.; Holroyd, J.; Liberati, M.; Arenholz, E.; Ogale, S.B.; Wu, T.; Venkatesan, T.; Idzerda, Y.U.

2008-01-01

Interfacial stress is thought to have significant effects on electrical and oxygen transport properties in thin films of importance in solid oxide fuel cell applications. We investigate how in-plane biaxial stress modifies the electronic structure of La 2/3 Ca 1/3 MnO 3 and La 1/2 Sr 1/2 MnO 3 thin films prepared by pulsed laser deposition on three different substrates to vary the in-plane stress from tensile to compressive. The electronic structure was probed by X-ray absorption spectroscopy of the Mn L 2,3 -edge to characterize the interfacial disruption in this region in an element-specific, site-specific manner. The compressive or tensile interfacial strain modifies the relative concentrations of La and Sr in the interfacial region in order to achieve a better lattice match to the contact material. This atomic migration generates an interfacial region dominated by a compound with a single valency for the transition metal ion, resulting in a severe barrier to oxygen and electron transport through this region

Ca-site substitution induced a metal-insulator transition in manganite CaMnO3

International Nuclear Information System (INIS)

Sousa, D.; Nunes, M.R.; Silveira, C.; Matos, I.; Lopes, A.B.; Melo Jorge, M.E.

2008-01-01

A systematic study of the A-site doping in Mn(IV)-rich perovskite manganites Ca 1-x Ho x MnO 3 , over a large homogeneity range (0.1 ≤ x ≤ 0.4), has been performed. A significant increase in the lattice parameters indicated the presence of mixed valence state of Mn: Mn 3+ and Mn 4+ . The substitution of calcium by holmium also induces strong changes in the electrical properties. We found that small Ho concentration produces an important decrease in the electrical resistivity and induces an electrical transition, the temperature corresponding to the metal-insulator transition (T MI ) shifts with the holmium content. This electrical behavior is attributed to the Mn 3+ ions content and a charge order effect

Highly atom-economic synthesis of graphene/Mn3O4 hybrid composites for electrochemical supercapacitors

Science.gov (United States)

Jiangying, Qu; Feng, Gao; Quan, Zhou; Zhiyu, Wang; Han, Hu; Beibei, Li; Wubo, Wan; Xuzhen, Wang; Jieshan, Qiu

2013-03-01

A highly atom-economic procedure for the preparation of reduced graphene oxide/Mn3O4 (rGO/Mn3O4) composites is reported. Pristine graphene oxide/manganese sulfate (GO/MnSO4) suspension produced by modified Hummers method is utilized with high efficiency, which has been in situ converted into GO/Mn3O4 hybrid composite by air oxidation, then into rGO/Mn3O4 composite by means of dielectric barrier discharge (DBD) plasma-assisted deoxygenation. The Mn3O4 content of the rGO/Mn3O4 composites can be readily tailored. It is observed that Mn3O4 nanoparticles of 15-24 nm are well-dispersed on graphene sheets with Mn3O4 loading as high as 90%. The specific capacitance of the as-prepared rGO/Mn3O4 hybrids with 90% Mn3O4 reaches 193 F g-1 when employed as the electrode material in neutral Na2SO4 electrolyte solutions (76 F g-1 for pristine graphene and 95 F g-1 for pure Mn3O4), which indicates the positive synergetic effects from both graphene and attached Mn3O4. The method developed in this study should offer a new technique for the large scale and highly atom-economic production of graphene/MnOx composites for many applications.

Band Structure Analysis of La0.7Sr0.3MnO3 Perovskite Manganite Using a Synchrotron

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Hong-Sub Lee

2015-01-01

Full Text Available Oxide semiconductors and their application in next-generation devices have received a great deal of attention due to their various optical, electric, and magnetic properties. For various applications, an understanding of these properties and their mechanisms is also very important. Various characteristics of these oxides originate from the band structure. In this study, we introduce a band structure analysis technique using a soft X-ray energy source to study a La0.7Sr0.3MnO3 (LSMO oxide semiconductor. The band structure is formed by a valence band, conduction band, band gap, work function, and electron affinity. These can be determined from secondary electron cut-off, valence band spectrum, O 1s core electron, and O K-edge measurements using synchrotron radiation. A detailed analysis of the band structure of the LSMO perovskite manganite oxide semiconductor thin film was established using these techniques.

Binding of higher alcohols onto Mn(12) single-molecule magnets (SMMs): access to the highest barrier Mn(12) SMM.

Science.gov (United States)

Lampropoulos, Christos; Redler, Gage; Data, Saiti; Abboud, Khalil A; Hill, Stephen; Christou, George

2010-02-15

Two new members of the Mn(12) family of single-molecule magnets (SMMs), [Mn(12)O(12)(O(2)CCH(2)Bu(t))(16)(Bu(t)OH)(H(2)O)(3)].2Bu(t)OH (3.2Bu(t)OH) and [Mn(12)O(12)(O(2)CCH(2)Bu(t))(16)(C(5)H(11)OH)(4)] (4) (C(5)H(11)OH is 1-pentanol), are reported. They were synthesized from [Mn(12)O(12)(O(2)CMe)(16)(H(2)O)(4)].2MeCO(2)H.4H(2)O (1) by carboxylate substitution and crystallization from the appropriate alcohol-containing solvent. Complexes 3 and 4 are new members of the recently established [Mn(12)O(12)(O(2)CCH(2)Bu(t))(16)(solv)(4)] (solv = H(2)O, alcohols) family of SMMs. Only one bulky Bu(t)OH can be accommodated into 3, and even this causes significant distortion of the [Mn(12)O(12)] core. Variable-temperature, solid-state alternating current (AC) magnetization studies were carried out on complexes 3 and 4, and they established that both possess an S = 10 ground state spin and are SMMs. However, the magnetic behavior of the two compounds was found to be significantly different, with 4 showing out-of-phase AC peaks at higher temperatures than 3. High-frequency electron paramagnetic resonance (HFEPR) studies were carried out on single crystals of 3.2Bu(t)OH and 4, and these revealed that the axial zero-field splitting constant, D, is very different for the two compounds. Furthermore, it was established that 4 is the Mn(12) SMM with the highest kinetic barrier (U(eff)) to date. The results reveal alcohol substitution as an additional and convenient means to affect the magnetization relaxation barrier of the Mn(12) SMMs without major change to the ligation or oxidation state.

Moessbauer study of supertransferred hyperfine field of /sup 119/Sn (Sn/sup 4 +/) in Casub(1-x)Srsub(x)MnO/sub 3/

Energy Technology Data Exchange (ETDEWEB)

Takano, M [Konan Univ., Kobe (Japan). Faculty of Science; Takeda, Y; Shimada, M; Matsuzawa, T; Shinjo, T

1975-09-01

Casub(1-x)Srsub(x)Mnsub(0.99)Snsub(0.01)O/sub 3/(0<=x<=1) with (nearly) cubic perovskite structures were prepared and the magnetic hyperfine fields of /sup 119/Sn (Sn/sup 4 +/) were measured by the Moessbauer effect. The hyperfine fields arise from unpaired s electron spin densities transferred from Mn/sup 4 +/ ions (supertransferred hyperfine interaction). The hyperfine field for a tin ion was found to depend linearly upon the numbers of Ca/sup 2 +/ and Sr/sup 2 +/ ions in the neighboring divalent cation sites, with proportional coefficients having opposite signs. To explain experimental results two kinds of spin transfer processes contributing to the hyperfine field oppositely to each other have been considered, and spin transfer via a divalent cation is emphasized particularly. The hyperfine field at 0 K for Sn/sup 4 +/ in CaMnO/sub 3/ is -75 kOe, while +20 kOe for Sn/sup 4 +/ in SrMnO/sub 3/.

High-pressure synthesis and magnetic behavior of A-site columnar-ordered double perovskites, LnMn(Ga{sub 0.5}Ti{sub 0.5}){sub 2}O{sub 6} (Ln = Sm, Gd)

Energy Technology Data Exchange (ETDEWEB)

Shimura, Gen; Niwa, Ken; Shirako, Yuichi; Hasegawa, Masashi [Department of Crystalline Materials Science, Nagoya University, 464-8601, Nagoya (Japan)

2017-01-26

A-site columnar-ordered double perovskites, LnMn(Ga{sub 0.5}Ti{sub 0.5}){sub 2}O{sub 6} (Ln = Sm, Gd), were successfully synthesized under high pressure and high temperature (6 GPa, 1375 K). From the synchrotron powder X-ray diffraction patterns, all of the diffraction peaks can be indexed by the P4{sub 2}/nmc space group with lattice parameters a, c ∼ 2a{sub p} (a{sub p}: primitive cubic perovskite lattice) and no ordering of the B-site cations. Rietveld analysis of the synchrotron powder X-ray diffraction patterns and Curie-Weiss fitting of their magnetizations reveal that the ionic formulae of these perovskites are Ln{sup 3+}Mn{sup 2+}(Ga{sup 3+}{sub 0.5}Ti{sup 4+}{sub 0.5}){sub 2}O{sup 2-}{sub 6}. SmMn(Ga{sub 0.5}Ti{sub 0.5}){sub 2}O{sub 6} shows canted-antiferromagnetic behavior, whereas GdMn(Ga{sub 0.5}Ti{sub 0.5}){sub 2}O{sub 6} exhibits two different magnetic states at low temperature depending on the applied magnetic field and shows an unusual magnetization curve. These magnetic behaviors originate by decreasing the antiferromagnetic interaction by substituting Ga{sup 3+}(d{sup 10}) for Ti{sup 4+}(d{sup 0}) and by decreasing the ferromagnetic interaction between columnar-ordered Ln{sup 3+} and Mn{sup 2+}. (copyright 2017 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

Ab-initio calculations of the Ruddlesden-Popper phases CaMnO3, CaO(CaMnO3) and CaO(CaMnO3)2

International Nuclear Information System (INIS)

Cardoso, C; Borges, R P; Gasche, T; Godinho, M

2008-01-01

The present work reports ab-initio density functional theory calculations for the Ruddlesden-Popper phase CaO(CaMnO 3 ) n compounds. In order to study the evolution of the properties with the number of perovskite layers, a detailed analysis of the densities of states calculated for each compound and for several magnetic configurations was performed. The effect of distortions of the crystal structure on the magnetic ground state is also analysed and the exchange constants and transition temperatures are calculated for the three compounds using a mean field model. The calculated magnetic ground state structures and magnetic moments are in good agreement with experimental results and previous calculations

Crystalline structure of the manganites solid solution RE(Me,MnO₃, (RE=Gd,Er; Me=Ni,Co

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Peña, O.

2009-08-01

Full Text Available The structural properties of the manganites solid solution RE(Me,MnO₃, RE=Er,Gd, have been studied by X-ray diffraction and electric measurements. Powders were prepared by solid state reaction between the component oxides. Incorporation of Ni²⁺ or Co²⁺ on the lattice in the Mn sites leads to changes in the parameters and symmetry of the perovskite or hexagonal compounds GdMnO₃ and ErMnO₃ respectively. The phase transitions depend on the amount of substituted Jahn-Teller Mn³⁺ cations, and, therefore, of the cooperative Jahn-Teller interaction weakness. Solid solutions based on GdMnO₃ perovskite compound change from O’-type to O-type orthorhombic perovskite symmetry when the Mn³⁺ cation amount decreases, because of the progressive substitution for Ni, Co. This transition occurs for lower amount of Ni²⁺ than for Co²⁺ cation. The Er-based solid solutions showed a different behaviour. For Ni²⁺ and Co²⁺ incorporation there are changes from hexagonal ErMnO₃-type lattice to perovskite-type symmetry, for 20 at% and 30 at% respectively of substituting cations. The resultant perovskites crystallised directly in the O-type orthorhombic perovskite structure. The steric influence seems to play a secondary role, such as it can be deduced of the small variation of the Goldschmidt tolerance factor, t, for perovskite structure.

Las propiedades estructurales de las soluciones sólidas RE(Me,MnO₃, RE=Gd,Er, Me=Ni,Co, han sido estudiadas por difracción de rayos X, (DRX y medidas eléctricas. Las fases se sintetizaron por reacción en estado sólido entre los óxidos componentes. La incorporación de los cationes Ni²⁺ y Co^2+,3+ en la red en lugar de Mn lleva a cambios en los parámetros de red y en la simetría de la perovskita, GdMnO₃ o del compuesto hexagonal ErMnO

Structure and properties of Mn4Cl9: An antiferromagnetic binary hyperhalogen

Science.gov (United States)

Li, Yawei; Zhang, Shunhong; Wang, Qian; Jena, Puru

2013-02-01

Calculations based on density functional theory show that the structure of Mn4Cl9 anion is that of a Mn atom at the core surrounded by three MnCl3 moieties. Since Mn is predominantly divalent and MnCl3 is known to be a superhalogen with a vertical detachment energy (VDE) of 5.27 eV, Mn4Cl9 can be viewed as a hyperhalogen with the formula unit Mn(MnCl3)3. Indeed, the calculated VDE of Mn4Cl9 anion, namely 6.76 eV, is larger than that of MnCl3 anion. More importantly, unlike previously discovered hyperhalogens, Mn4Cl9 is the first such hyperhalogen species composed of only two constituent atoms. We further show that Mn4Cl9 can be used as a ligand to design molecules with even higher VDEs. For example, Li[Mn(MnCl3)3]2 anion has a VDE of 7.26 eV. These negatively charged clusters are antiferromagnetic with most of the magnetic moments localized at the Mn sites. Our studies show new pathways for creating binary hyperhalogens.

One-pot synthesis of a Ni–Mn{sub 3}O{sub 4} nanocomposite for supercapacitors

Energy Technology Data Exchange (ETDEWEB)

Xu, Guo-rong, E-mail: grxu@hnust.edu.cn; Shi, Jin-jin; Dong, Wen-hao; Wen, Ya; Min, Xiang-ping; Tang, An-ping

2015-05-05

Highlights: • Ni–Mn{sub 3}O{sub 4} nanocomposites have been synthesized simply. • Mn{sub 3}O{sub 4} particles were deposited on surface of Ni particles with OH functional groups. • Ni–Mn{sub 3}O{sub 4} composites could be quickly conditioned to birnessite-type MnO{sub 2}. • A specific capacitance of 230 F g{sup −1} was obtained for Ni (17.3%)–Mn{sub 3}O{sub 4} nanocomposite. - Abstract: Ni–Mn{sub 3}O{sub 4} nanocomposite has been prepared successfully by chemical oxidation in an alkaline solution of Mn{sup 2+} on the surface of Ni nanoparticles with OH functional groups using one-pot method. The obtained Ni–Mn{sub 3}O{sub 4} nanocomposite was characterized using a scanning electron microscope (SEM), a transmission electron microscope (TEM), X-ray diffraction (XRD) analysis and various electrochemical techniques, such as cyclic voltammetry (CV), galvanostatic charge/discharge (GC/D) and electrochemical impedance spectroscopy (EIS). The average crystal sizes of Mn{sub 3}O{sub 4} were found to decrease linearly with increasing Ni content in the Ni–Mn{sub 3}O{sub 4} composite. The Ni–Mn{sub 3}O{sub 4} nanocomposite could be easily conditioned and inverted to birnessite-type MnO{sub 2}. A specific capacitance of 230 F g{sup −1} (based on pure Mn{sub 3}O{sub 4}) was obtained for the Ni (17.3%)–Mn{sub 3}O{sub 4} nanocomposite at a current rate of 0.25 A g{sup −1}, and 94% of the initial capacitance was retained after 1000 GC/D cycles at a current rate of 1 A g{sup −1}. It is concluded that the Ni–Mn{sub 3}O{sub 4} nanocomposite is a promising electrode materials for supercapacitors.

Formation of perovskite-type compounds La0.5Ca0.5Mn1-xTixO3 (0≤x≤0.5)

International Nuclear Information System (INIS)

Wang, K.-Y.; Arcas, J.; Chen, D.-X.; Hernando, A.

1997-01-01

A series of perovskite-type compounds La 0.5 Ca 0.5 Mn 1-x Ti x O 3 is prepared by solid-state reaction. It is found that a single-phase tetragonal structure can be obtained for x≤0.5; the lattice parameters increase and magnetization at μ 0 H=0.2. T decreases with increasing x. (orig.)

A hierarchical nanostructure consisting of amorphous MnO{sub 2}, Mn{sub 3}O{sub 4} nanocrystallites, and single-crystalline MnOOH nanowires for supercapacitors

Energy Technology Data Exchange (ETDEWEB)

Hu, Chi-Chang; Hung, Ching-Yun [Department of Chemical Engineering, National Tsing Hua University, Hsin-Chu 30013 (China); Chang, Kuo-Hsin [Department of Chemical Engineering, National Tsing Hua University, Hsin-Chu 30013 (China); Department of Chemical Engineering, National Chung Cheng University, Chia-Yi 621 (China); Yang, Yi-Lin [Department of Chemical Engineering, National Chung Cheng University, Chia-Yi 621 (China)

2011-01-15

In this communication, a porous hierarchical nanostructure consisting of amorphous MnO{sub 2} (a-MnO{sub 2}), Mn{sub 3}O{sub 4} nanocrystals, and single-crystalline MnOOH nanowires is designed for the supercapacitor application, which is prepared by a simple two-step electrochemical deposition process. Because of the gradual co-transformation of Mn{sub 3}O{sub 4} nanocrystals and a-MnO{sub 2} nanorods into an amorphous manganese oxide, the cycle stability of a-MnO{sub 2} is obviously enhanced by adding Mn{sub 3}O{sub 4}. This unique ternary oxide nanocomposite with 100-cycle CV activation exhibits excellent capacitive performances, i.e., excellent reversibility, high specific capacitances (470 F g{sup -1} in CaCl{sub 2}), high power property, and outstanding cycle stability. The highly porous microstructures of this composite before and after the 10,000-cycle CV test are examined by means of scanning electron microscopy (SEM) and transmission electron microscopy (TEM). (author)

Spin reversal in Gd(Me,MnO3 (Me = Co, Ni

Directory of Open Access Journals (Sweden)

Gutiérrez, D.

2004-06-01

Full Text Available Partial substitution of the rare-earth by calcium at the cationic site of the ABO3 perovskites may show extraordinary effects of spin reversal due to a negative polarization between the rare-earth and the manganese networks, as it occurs in the solid solution Gd1‑xCaxMnO3. We present herein similar effects in gadolinium perovskites of the Gd(Me,MnO3 type, in which the manganese sublattice has been partially substituted by transition metal elements Me, leaving the gadolinium network intact. The spin reversal phenomena is observed at a critical concentration of x(Me = 1/3, which implies an optimum number of pairs Mn3+-Mn4+. Néel temperatures of 48 and 67 K are obtained for Me = Co and Ni, respectively, at the optimum concentration of substituent. A comparison between these different solid solutions allows us to generalize the interpretation of two interacting magnetic sublattices : a Mn-based ferromagnetic one and a negatively-aligned gadolinium network.La sustitución parcial del lantánido por el elemento calcio en el sitio catiónico (sitio A de la perovskita ABO3 puede dar lugar a efectos importantes ligados a una inversión del espín. Dicha inversión se debe a una interacción negativa entre la tierra rara y la subred de manganeso, tal como ocurre en la solución solida Gd1-xCaxMnO3. Se presentan en este trabajo efectos similares que ocurren en las perovskitas de gadolinio de fórmula Gd(Me,MnO3, en las cuales la subred de manganeso (sitio B ha sido reemplazada parcialmente por otros metales de transición Me, dejando intacta la subred de gadolinio. Se observa el fenómeno de inversión de espín para una concentración crítica x(Me = 1/3, para la cual se logra una cantidad óptima de pares Mn3+‑Mn4+. Para esta concentración crítica se observan temperaturas de Néel antiferromagnéticas del orden de 48 y 67 K, respectivamente para Me = Co y Ni. Un análisis comparativo entre estos diferentes sistemas permite generalizar la

Single crystal growth, magnetic and thermal properties of perovskite YFe{sub 0.6}Mn{sub 0.4}O{sub 3} single crystal

Energy Technology Data Exchange (ETDEWEB)

Xie, Tao [School of Materials Science and Engineering, Shanghai Institute of Technology, Shanghai 201418 (China); Synthetio Single Crystal Research Center, Shanghai Institute of Ceramic, Chinese Academy of Sciences, Shanghai 200050 (China); Key Laboratory of Transparent and Opto-functional Inorganic Materials, Shanghai Institute of Ceramics, Chinese Academy of Sciences, Shanghai 200050 (China); Shen, Hui, E-mail: hshen@sit.edu.cn [School of Materials Science and Engineering, Shanghai Institute of Technology, Shanghai 201418 (China); Zhao, Xiangyang; Man, Peiwen [Synthetio Single Crystal Research Center, Shanghai Institute of Ceramic, Chinese Academy of Sciences, Shanghai 200050 (China); Key Laboratory of Transparent and Opto-functional Inorganic Materials, Shanghai Institute of Ceramics, Chinese Academy of Sciences, Shanghai 200050 (China); Wu, Anhua, E-mail: wuanhua@mail.sic.ac.cn [Synthetio Single Crystal Research Center, Shanghai Institute of Ceramic, Chinese Academy of Sciences, Shanghai 200050 (China); Key Laboratory of Transparent and Opto-functional Inorganic Materials, Shanghai Institute of Ceramics, Chinese Academy of Sciences, Shanghai 200050 (China); Su, Liangbi [Synthetio Single Crystal Research Center, Shanghai Institute of Ceramic, Chinese Academy of Sciences, Shanghai 200050 (China); Key Laboratory of Transparent and Opto-functional Inorganic Materials, Shanghai Institute of Ceramics, Chinese Academy of Sciences, Shanghai 200050 (China); Xu, Jiayue, E-mail: xujiayue@sit.edu.cn [School of Materials Science and Engineering, Shanghai Institute of Technology, Shanghai 201418 (China)

2016-11-01

High quality YFe{sub 0.6}Mn{sub 0.4}O{sub 3} single crystal was grown by floating zone technique using a four-mirror-image-furnace under flowing air. Powder X-ray diffraction gives well evidence that the specimen has an orthorhombic structure, with space group Pbnm. Temperature dependence of the magnetizations of YFe{sub 0.6}Mn{sub 0.4}O{sub 3} single crystal were studied under ZFC and FC modes in the temperature range from 5 K to 400 K. A clear spin reorientation transition behavior (Γ{sub 4}→Γ{sub 1}) is observed in the temperature range of 322–316 K, due to the substitution of Mn at the Fe site of YFeO{sub 3}. Its Néel temperature is around 385 K. Moreover, the spin reorientation is verified by the change of magnetic hysteresis loops of the sample along [001] axis in the temperature range of 50–385 K. The thermal properties of the sample were measured by the differential scanning calorimeter (DSC) from 300 K to 500 K, which also clearly appear anomaly in the spin reorientation region. - Highlights: • High quality YFe{sub 0.6}Mn{sub 0.4}O{sub 3} single crystal was grown by floating zone technique. • The thermal properties appear anomaly in the spin reorientation region. • A clear spin reorientation transition behavior (Γ{sub 4}→Γ{sub 1}) is observed in the temperature range of 322–316 K, due to the substitution of Mn at the Fe site of YFeO{sub 3}.

Dielectric behavior of CaCu3Ti4O12: Poly Vinyl Chloride ceramic polymer composites at different temperature and frequencies

Directory of Open Access Journals (Sweden)

Ajay Pratap Singh

2016-12-01

Full Text Available In this study, the efforts have been made to obtain relatively high dielectric constant polymer-ceramic composite by incorporating the giant dielectric constant material, calcium copper titanate (CCTO in a PVC polymer matrix. We have prepared composites of CaCu3Ti4O12 (CCTO ceramic and Poly Vinyl Chloride (PVC polymer in various ratios (by volume in addition to pure CCTO. For this, CCTO was prepared by the conventional oxide route (solid-state reaction method. The structural, the microstructural and the dielectric properties of the composites were studied using X-ray diffraction, Scanning Electron Microscope, and impedance analyzer respectively. The study of dielectric constant and dielectric loss of the pure CCTO and the composites reveal that there is good range of dielectric constants and dielectric losses for the studied composites. The pure sample of CCTO exhibits giant dielectric constant at low frequency within the studied temperature range. As frequency increases, dielectric constant drastically decreases and approaching a constant value at 1 MHz. Above the intermediate temperature, the dielectric constant and dielectric loss for pure CCTO is more frequency dependent than its composites.

High magnetic ordering temperature in the perovskites Sr{sub 4-x}La{sub x}Fe{sub 3}ReO{sub 12} (x=0.0, 1.0, 2.0)

Energy Technology Data Exchange (ETDEWEB)

Retuerto, M.; Li, M.-R.; Go, Y.B. [Department of Chemistry and Chemical Biology, Rutgers, The State University of New Jersey, 610 Taylor Road, Piscataway, NJ 08854 (United States); Ignatov, A.; Croft, M. [Department of Physics and Astronomy, Rutgers, The State University of New Jersey, 136 Frelinghuysen Road, Piscataway, NJ 08854 (United States); Ramanujachary, K.V. [Department of Chemistry and Physics, Rowan University, 210 Mullica Hill Road, Glassboro, NJ 08028 (United States); Herber, R.H.; Nowik, I. [Racah Institute of Physics, Hebrew University, Jerusalem, 91904 Israel (Israel); Hodges, J.P. [Spallation Neutron Source, Oak Ridge National Laboratory, Oak Ridge, TN 37831 (United States); Dachraoui, W.; Hadermann, J. [EMAT, University of Antwerp, Groenenborgerlaan 171, 2020 Antwerp (Belgium); Greenblatt, M., E-mail: martha@rutchem.rutgers.edu [Department of Chemistry and Chemical Biology, Rutgers, The State University of New Jersey, 610 Taylor Road, Piscataway, NJ 08854 (United States)

2012-10-15

A series of perovskites Sr{sub 4-x}La{sub x}Fe{sub 3}ReO{sub 12} (x=0.0, 1.0, 2.0) has been prepared by wet chemistry methods. The structure analyses by powder X-ray and neutron diffraction and electron microscopy show that these compounds adopt simple perovskite structures without cation ordering over the B sites: tetragonal (I4/mcm) for x=0.0 and 1.0 and orthorhombic (Pbmn) for x=2.0. The oxidation states of the cations in the compound with x=0.0 appear to be Fe{sup 3+/4+} and Re{sup 7+} and decrease for both with La substitution as evidenced by X-ray absorption spectroscopy. All the compounds are antiferromagnetically ordered above room temperature, as demonstrated by Moessbauer spectroscopy and the magnetic structures, which were determined by powder neutron diffraction. The substitution of Sr by La strongly affects the magnetic properties with an increase of T{sub N} up to {approx}750 K. - Graphical abstract: High resolution transmission electron microscopy image of Sr{sub 4-x}La{sub x}Fe{sub 3}ReO{sub 12} (x=2.0), showing twin domains. Fourier transforms are given of the areas indicated by the circles. Highlights: Black-Right-Pointing-Pointer Sr{sub 4-x}La{sub x}Fe{sub 3}ReO{sub 12} (x=0.0, 1.0, 2.0) perovskites prepared by wet chemistry. Black-Right-Pointing-Pointer PXD, PND, ED, indicate no cation ordering, I4/mcm) for x=0.0, 1.0, Pbmn for x=2. Black-Right-Pointing-Pointer XAS show oxidation states Fe{sup 3+/4+} and Re{sup 7+}; both decrease with increasing x. Black-Right-Pointing-Pointer All order antiferromagnetically above RT, with highest T{sub N} {approx}750 K.

Interfacial reactions of Ba 2YCu 3O 6+z with coated conductor buffer layer, LaMnO 3

Science.gov (United States)

Liu, G.; Wong-Ng, W.; Kaduk, J. A.; Cook, L. P.

2010-03-01

Chemical interactions between the Ba 2YCu 3O 6+x superconductor and the LaMnO 3 buffer layers employed in coated conductors have been investigated experimentally by determining the phases formed in the Ba 2YCu 3O 6+x-LaMnO 3 system. The Ba 2YCu 3O 6+x-LaMnO 3 join within the BaO-(Y 2O 3-La 2O 3)-MnO 2-CuO x multi-component system is non-binary. At 810 °C ( pO2 = 100 Pa) and at 950 °C in purified air, four phases are consistently present along the join, namely, Ba 2-x(La 1+x-yY y)Cu 3O 6+z, Ba(Y 2-xLa x)CuO 5, (La 1-xY x)MnO 3, (La,Y)Mn 2O 5. The crystal chemistry and crystallography of Ba(Y 2-xLa x)CuO 5 and (La 1-xY x)Mn 2O 5 were studied using the X-ray Rietveld refinement technique. The Y-rich and La-rich solid solution limits for Ba(Y 2-xLa x)CuO 5 are Ba(Y 1.8La 0.2)CuO 5 and Ba(Y 0.1La 1.9)CuO 5, respectively. The structure of Ba(Y 1.8La 0.2)CuO 5 is Pnma (No. 62), a = 12.2161(5) Å, b = 5.6690(2) Å, c = 7.1468(3) Å, V = 494.94(4) Å 3, and D x = 6.29 g cm -3. YMn 2O 5 and LaMn 2O 5 do not form solid solution at 810 °C ( pO2 = 100 Pa) or at 950 °C (in air). The structure of YMn 2O 5 was confirmed to be Pbam (No. 55), a = 7.27832(14) Å, b = 8.46707(14) Å, c = 5.66495(10) Å, and V = 349.108(14) Å 3. A reference X-ray pattern was prepared for YMn 2O 5.

Effects of time on the magnetic properties of terbium-doped LaMnO3

International Nuclear Information System (INIS)

Liu Weibin; Zhang Yingtang; Guan Wen; Kinsman, William; Yuan Xinqiang; Chen Ziyu

2012-01-01

The magnetic properties of the perovskite form of LaMnO 3 have been shown strong interest in recent years due to its high potential for use in magnetic devices. In this paper, the magnetic properties of a 30% terbium-doped LaMnO 3 (LMTO) perovskite manganite synthesized by a conventional solid-state reaction were investigated. Data on these properties was recorded periodically via SQUID and VSM to reveal it to be best described magnetically as a spin glass system. Thus, the time effect must be taken into consideration in instantaneously determining this material’s spin glass state as well as the overall magnetic properties in the absence of a magnetic field. The results of this paper point to a more in-depth understanding of the change in magnetic properties associated with doped LaMnO 3 .

Tilt engineering of exchange coupling at G-type SrMnO3/(La,Sr)MnO3 interfaces

Science.gov (United States)

Li, F.; Song, C.; Wang, Y. Y.; Cui, B.; Mao, H. J.; Peng, J. J.; Li, S. N.; Wang, G. Y.; Pan, F.

2015-11-01

With the recent realization of hybrid improper ferroelectricity and room-temperature multiferroic by tilt engineering, “functional” octahedral tilting has become a novel concept in multifunctional perovskite oxides, showing great potential for property manipulation and device design. However, the control of magnetism by octahedral tilting has remained a challenging issue. Here a qualitative and quantitative tilt engineering of exchange coupling, one of the magnetic properties, is demonstrated at compensated G-type antiferromagnetic/ferromagnetic (SrMnO3/La2/3Sr1/3MnO3) interfaces. According to interfacial Hamiltonian, exchange bias (EB) in this system originates from an in-plane antiphase rotation (a-) in G-type antiferromagnetic layer. Based on first-principles calculation, tilt patterns in SrMnO3 are artificially designed in experiment with different epitaxial strain and a much stronger EB is attained in the tensile heterostructure than the compressive counterpart. By controlling the magnitude of octahedral tilting, the manipulation of exchange coupling is even performed in a quantitative manner, as expected in the theoretical estimation. This work realized the combination of tilt engineering and exchange coupling, which might be significant for the development of multifunctional materials and antiferromagnetic spintronics.

Controlled reduction of LaFe xMn yMo zO3/Al2O3 composites to produce highly dispersed and stable Fe0 catalysts: a Mössbauer investigation

Directory of Open Access Journals (Sweden)

Juliana Cristina Tristão

2008-06-01

Full Text Available In this work, controlled reduction of perovskites supported on Al2O3 was used to prepare thermally stable nanodispersed iron catalysts based on Fe0/La2O3/Al2O3. The perovskites composites LaFe0.90Mn0.08Mo0.02O3(25, 33 and 50 wt (% /Al2O3 and LaFe0.90Mn0.1O3(25 wt (% /Al2O3 were prepared and characterized by XRD, BET, TPR, SEM and Mössbauer spectroscopy. XRD for unsupported perovskite showed the formation of a single phase perovskite structure. The Mössbauer spectra of the perovskites were fitted with hyperfine field distribution model for the perovskite. Supported perovskites on Al2O3 showed a decrease of the hyperfine field in respect to unsupported perovskite, due to decrease of particle size and dispersion of the Fe3+ specimens on the support. Also showed broaden lines and relaxation effects due to the small particle size. To produce the Fe0 catalyst, the composite perovskite(25%/Al2O3 was reduced with H2 at 900, 1000 and 1100 °C for 1 hour. XRD data indicated the formation of Fe0 catalyst with particles sizes of ca. 35 nm. The Mössbauer spectrum showed the formation of metallic iron and doublets corresponding to species of octahedric Fe2+ and Fe3+ sites dispersed on Al2O3. These catalysts showed improved stability towards sintering even upon treatment at 1000 and 1100 °C under H2.

Nano-sized Mn3O4 and β-MnOOH from the decomposition of β-cyclodextrin-Mn: 2. The water-oxidizing activities.

Science.gov (United States)

Najafpour, Mohammad Mahdi; Mostafalu, Ramin; Hołyńska, Małgorzata; Ebrahimi, Foad; Kaboudin, Babak

2015-11-01

Nano-sized Mn oxides contain Mn3O4, β-MnOOH and Mn2O3 have been prepared by a previously reported method using thermal decomposition of β-cyclodextrin-Mn complexes. In the next step, the water-oxidizing activities of these Mn oxides using cerium(IV) ammonium nitrate as a chemical oxidant are studied. The turnover frequencies for β-MnO(OH) and Mn3O4 are 0.24 and 0.01-0.17 (mmol O2/mol Mns), respectively. Subsequently, water-oxidizing activities of these compounds are compared to the other previously reported Mn oxides. Important factors affecting water oxidation by these Mn oxides are also discussed. Copyright © 2015 Elsevier B.V. All rights reserved.

Magnetic resonances spectroscopy of nanosize particles La0.7Sr0.3MnO3

International Nuclear Information System (INIS)

Krivoruchko, Vladimir; Konstantinova, Tat'yana; Mazur, Anton; Prokhorov, Andrey; Varyukhin, Victor

2006-01-01

Using a co-precipitation method, perovskite-type manganese oxide La 0.7 Sr 0.3 MnO 3 nanoparticles (NPs) with particle size 12 nm were prepared. Detailed studies of both 55 Mn nuclear magnetic resonance and superparamagnetic resonance spectrum, completed by magnetic measurements, have been performed to obtain microscopic information on the local magnetic structure of the NP. Our results on nuclear dynamics provide direct evidence of formation of a magnetically dead layer, of the thickness ∼2 nm, at the particle surface. Temperature dependences of the magnetic resonance spectra have been measured to obtain information about complex magnetic properties of La 0.7 Sr 0.3 MnO 3 fine-particle ensembles. In particular, electron paramagnetic resonance spectrum at 300 K shows a relatively narrow sharp line, but as the temperature decreases to 5 K, the apparent resonance field decreases and the line width considerably increases. The low-temperature blocking of the NPs magnetic moments has been clearly observed in the electron paramagnetic resonances. The blocking temperature depends on the measuring frequency and for the ensemble of 12 nm NPs at 9.244 GHz has been evaluated as 110 K

Multireversible redox processes in pentanuclear bis(triple-helical) manganese complexes featuring an oxo-centered triangular {Mn(II)2Mn(III)(μ3-O)}5+ or {Mn(II)Mn(III)2(μ3-O)}6+ core wrapped by two {Mn(II)2(bpp)3}-.

Science.gov (United States)

Romain, Sophie; Rich, Jordi; Sens, Cristina; Stoll, Thibaut; Benet-Buchholz, Jordi; Llobet, Antoni; Rodriguez, Montserrat; Romero, Isabel; Clérac, Rodolphe; Mathonière, Corine; Duboc, Carole; Deronzier, Alain; Collomb, Marie-Noëlle

2011-09-05

A new pentanuclear bis(triple-helical) manganese complex has been isolated and characterized by X-ray diffraction in two oxidation states: [{Mn(II)(μ-bpp)(3)}(2)Mn(II)(2)Mn(III)(μ-O)](3+) (1(3+)) and [{Mn(II)(μ-bpp)(3)}(2)Mn(II)Mn(III)(2)(μ-O)](4+) (1(4+)). The structure consists of a central {Mn(3)(μ(3)-O)} core of Mn(II)(2)Mn(III) (1(3+)) or Mn(II)Mn(III)(2) ions (1(4+)) which is connected to two apical Mn(II) ions through six bpp(-) ligands. Both cations have a triple-stranded helicate configuration, and a pair of enantiomers is present in each crystal. The redox properties of 1(3+) have been investigated in CH(3)CN. A series of five distinct and reversible one-electron waves is observed in the -1.0 and +1.50 V potential range, assigned to the Mn(II)(4)Mn(III)/Mn(II)(5), Mn(II)(3)Mn(III)(2)/Mn(II)(4)Mn(III), Mn(II)(2)Mn(III)(3)/Mn(II)(3)Mn(III)(2), Mn(II)Mn(III)(4)/Mn(II)(2)Mn(III)(3), and Mn(III)(5)/Mn(II)Mn(III)(4) redox couples. The two first oxidation processes leading to Mn(II)(3)Mn(III)(2) (1(4+)) and Mn(II)(2)Mn(III)(3) (1(5+)) are related to the oxidation of the Mn(II) ions of the central core and the two higher oxidation waves, close in potential, are thus assigned to the oxidation of the two apical Mn(II) ions. The 1(4+) and 1(5+) oxidized species and the reduced Mn(4)(II) (1(2+)) species are quantitatively generated by bulk electrolyses demonstrating the high stability of the pentanuclear structure in four oxidation states (1(2+) to 1(5+)). The spectroscopic characteristics (X-band electron paramagnetic resonance, EPR, and UV-visible) of these species are also described as well as the magnetic properties of 1(3+) and 1(4+) in solid state. The powder X- and Q-band EPR signature of 1(3+) corresponds to an S = 5/2 spin state characterized by a small zero-field splitting parameter (|D| = 0.071 cm(-1)) attributed to the two apical Mn(II) ions. At 40 K, the magnetic behavior is consistent for 1(3+) with two apical S = 5/2 {Mn(II)(bpp)(3)}(-) and one S

Thermodynamic modeling of La2O3-SrO-Mn2O3-Cr2O3 for solid oxide fuel cell applications

DEFF Research Database (Denmark)

Povoden-Karadeniz, E.; Chen, Ming; Ivas, Toni

2012-01-01

The thermodynamic La–Sr–Mn–Cr–O oxide database is obtained as an extension of thermodynamic descriptions of oxide subsystems using the calculation of phase diagrams approach. Concepts of the thermodynamic modeling of solid oxide phases are discussed. Gibbs energy functions of SrCrO4, Sr2.67Cr2O8......, Sr2CrO4, and SrCr2O4 are presented, and thermodynamic model parameters of La–Sr–Mn–Chromite perovskite are given. Experimental solid solubilities and nonstoichiometries in La1xSrxCrO3d and LaMn1xCrxO3d are reproduced by the model. The presented oxide database can be used for applied computational...... thermodynamics of traditional lanthanum manganite cathode with Cr-impurities. It represents the fundament for extensions to higher orders, aiming on thermodynamic calculations in noble symmetric solid oxide fuel cells...

Correlation between atomic structure and magnetic properties of La0.7Ca0.3MnO3 thin films grown on SrTiO3 (1 0 0)

International Nuclear Information System (INIS)

Rubio-Zuazo, J.; Andres, A. de; Taboada, S.; Prieto, C.; Martinez, J.L.; Castro, G.R.

2005-01-01

The crystallographic structure of La 0.7 Ca 0.3 MnO 3 (LCMO) ultra-thin films grown on SrTiO 3 (0 0 1) has been investigated by surface X-ray diffraction (SXD) and the correlation between their transport and magnetic properties and crystallographic structure is discussed. LCMO thin films in a thickness range between 2.4 and 27 nm were grown by DC-sputtering on SrTiO 3 (0 0 1). We distinguish two different crystallographic structures associated to the 2.4 and 27 nm thin films, respectively. The 27 nm film structure corresponds to a tetragonal perovskite (space group Pbnm), as has been reported for bulk LCMO. For the 2.4 nm film the La/Ca ions are located at the regular position of an ideal perovskite and the MnO 6 octahedrons are aligned along the c-axis. The MnO 2 stacking layer (basal plane) is distorted and coplanar to the a-b crystallographic axis with an anti-correlation between octahedron layers. This observed distortion is not compatible with the Pbnm space group. The new phase, which cannot be excluded to coexist at the interface of thicker films, can be described, as an example, through an I4/mcm or Pbcn space group. Based on the observed structure, plausible models to explain their transport and magnetic behaviour are proposed. For the 2.4 nm film, an octahedron in-plane (basal plane) distortion induced by the substrate is observed. Thicker films behave structurally and magnetically as bulk-like materials

Hierarchically Structured Co3O4@Pt@MnO2 Nanowire Arrays for High-Performance Supercapacitors

Science.gov (United States)

Xia, Hui; Zhu, Dongdong; Luo, Zhentao; Yu, Yue; Shi, Xiaoqin; Yuan, Guoliang; Xie, Jianping

2013-10-01

Here we proposed a novel architectural design of a ternary MnO2-based electrode - a hierarchical Co3O4@Pt@MnO2 core-shell-shell structure, where the complemental features of the three key components (a well-defined Co3O4 nanowire array on the conductive Ti substrate, an ultrathin layer of small Pt nanoparticles, and a thin layer of MnO2 nanoflakes) are strategically combined into a single entity to synergize and construct a high-performance electrode for supercapacitors. Owing to the high conductivity of the well-defined Co3O4 nanowire arrays, in which the conductivity was further enhanced by a thin metal (Pt) coating layer, in combination with the large surface area provided by the small MnO2 nanoflakes, the as-fabricated Co3O4@Pt@MnO2 nanowire arrays have exhibited high specific capacitances, good rate capability, and excellent cycling stability. The architectural design demonstrated in this study provides a new approach to fabricate high-performance MnO2-based nanowire arrays for constructing next-generation supercapacitors.

Competition between heavy fermion and Kondo interaction in isoelectronic A-site-ordered perovskites

Energy Technology Data Exchange (ETDEWEB)

Meyers, D.; Middey, S.; Cheng, J. -G.; Mukherjee, Swarnakamal; Gray, B. A.; Cao, Yanwei; Zhou, J. -S.; Goodenough, J. B.; Choi, Yongseong; Haskel, D.; Freeland, J. W.; Saha-Dasgupta, T.; Chakhalian, J.

2014-12-17

With current research efforts shifting towards the 4d and 5d transition metal oxides, understanding the evolution of the electronic and magnetic structure as one moves away from 3d materials is of critical importance. Here we perform X-ray spectroscopy and electronic structure calculations on A-site-ordered perovskites with Cu in the A-site and the B-sites descending along the ninth group of the periodic table to elucidate the emerging properties as d-orbitals change from partially filled 3d to 4d to 5d. The results show that when descending from Co to Ir, the charge transfers from the cuprate-like Zhang-Rice state on Cu to the t2g orbital of the B site. As the Cu d-orbital occupation approaches the Cu2þ limit, a mixed valence state in CaCu3Rh4O12 and heavy fermion state in CaCu3Ir4O12 are obtained. The investigated d-electron compounds are mapped onto the Doniach phase diagram of the competing RKKY and Kondo interactions developed for the f-electron systems.

Crystallographic and electronic structure of the Ca2TiMnO6 double perovskite

International Nuclear Information System (INIS)

López, J.P. Garzón; Cardona, R.; Santos, A. Sarmiento; Téllez, D.A. Landínez; Roa-Rojas, J.

2014-01-01

In this work, we report synthesis and crystalline structure study of the Ca 2 TiMnO 6 complex perovskite, by X-ray diffraction experiments and through the application of the Rietveld refinement using the GSAS code. Results revealed the crystallization of the system in a tetragonal perovskite with the characteristic structure given by I4/m (#87) space group and lattice parameters a=5.339(4) Å and c=7.736(6) Å. Ab initio calculations of density of states (DOS) and electronic structure were carried out for this perovskite-like system, by the Density Functional Theory (DFT) and using the Full-potential Linearized Augmented Plane Waves (FP-LAPW) method. The exchange-correlation potential was treated using the Generalized Gradient Approximation (GGA). All calculations were carried-out using spin polarization. For the up spin orientation the compound has a semiconducting behavior and for down spin polarization it behaves like a conductor. The calculated effective magnetic moment in cell was 4.02 μ B , which is close to the expected value calculated from Hund's rules

Effect of processing routes on microstructure, electrical and dielectric behavior of Mg-doped CaCu3Ti4O12 electro-ceramic

Science.gov (United States)

Singh, Laxman; Rai, U. S.; Mandal, K. D.; Rai, Alok Kumar

2013-09-01

In the present communication, data on magnesium-doped calcium copper titanate CaCu2.90Mg0.10Ti4O12 (CCMTO) electro-ceramic, synthesized by the semi-wet route (SWR), ball-milled route (BMR) and solid-state route (SSR), is characterized by TG-DTA, XRD, SEM, EDX and TEM techniques. XRD confirmed the formation of single phase in CCMTO ceramic. The CuO phase present at grain boundaries in SWR ceramic was shown by the SEM micrograph, which was verified by EDX. The TEM image of SWR ceramic shows nanocrystalline particles in the range 80±20 nm. The value of the dielectric constant of SWR ( ɛ r ˜20091) ceramic is higher than those of BMR and SSR ( ɛ r ˜1247) ceramics at 1 kHz at 450 K. A dielectric relaxation has been observed in the frequency range 100 Hz-100 kHz. The high-temperature dielectric dispersion shows one large low-frequency response and two Debye-type relaxations. The impedance and modulus studies show the highest grain-boundary resistance for BMR ceramic.

Coating effect of LiFePO4 and Al2O3 on Li1.2Mn0.54Ni0.13Co0.13O2 cathode surface for lithium ion batteries

CSIR Research Space (South Africa)

Seteni, Bonani

2017-06-01

Full Text Available Lithium-manganese-rich cathode material Li1.2Mn0.54Ni0.13Co0.13O2 is prepared by combustion method, and then coated with nano-sized LiFePO4 and nano-sized Al2O3 particles via a wet chemical process. The as-prepared Li1.2Mn0.54Ni0.13Co0.13O2, LiFePO4...

Spin-reorientation magnetic transitions in Mn-doped SmFeO3

Directory of Open Access Journals (Sweden)

Jian Kang

2017-09-01

Full Text Available Spin reorientation is a magnetic phase transition in which rotation of the magnetization vector with respect to the crystallographic axes occurs upon a change in the temperature or magnetic field. For example, SmFeO3 shows a magnetization rotation from the c axis above 480 K to the a axis below 450 K, known as the Γ4 → Γ2 transition. This work reports the successful synthesis of the new single-crystal perovskite SmFe0.75Mn0.25O3 and finds interesting spin reorientations above and below room temperature. In addition to the spin reorientation of the Γ4 → Γ2 magnetic phase transition observed at around TSR2 = 382 K, a new spin reorientation, Γ2 → Γ1, was seen at around TSR1 = 212 K due to Mn doping, which could not be observed in the parent rare earth perovskite compound. This unexpected spin configuration has complete antiferromagnetic order without any canting-induced weak ferromagnetic moment, resulting in zero magnetization in the low-temperature regime. M–T and M–H measurements have been made to study the temperature and magnetic-field dependence of the observed spin reorientation transitions.

Determination of {sup 55}Mn(n,γ){sup 56}Mn reaction cross-section at the neutron energies of 1.12, 2.12, 3.12 and 4.12 MeV

Energy Technology Data Exchange (ETDEWEB)

Vansola, Vibha; Mukherjee, Surjit [M.S. University of Baroda, Vadodara (India). Dept. of Physics; Naik, Haladhara [Bhabha Atomic Research Center, Mumbai (India). Radiochemistry Div.; Suryanarayana, Saraswatula Venkata [Bhabha Atomic Research Center, Mumbai (India). Nuclear Physics Div.; Ghosh, Reetuparna; Badwar, Sylvia; Lawriniang, Bioletty Mary [North Eastern Hill Univ., Meghalaya (India). Dept. of Physics; Sheela, Yerraguntla Santhi [Manipal Univ. (India). Dept. of Statistics

2016-07-01

The {sup 55}Mn(n,γ){sup 56}Mn reaction cross-sections at the neutron energies of 1.12, 2.12, 3.12 and 4.12 MeV were determined by using activation and off-line γ-ray spectrometric technique. The neutron energies of 1.12 and 2.12 MeV were generated from the {sup 7}Li(p,n) reaction by using the proton energies of 3 and 4 MeV from the folded tandem ion beam accelerator (FOTIA) at BARC. For the neutron energies of 3.12 and 4.12 MeV, the proton energies used were 5 and 6 MeV from the Pelletron facility at TIFR, Mumbai. The {sup 115}In(n,γ){sup 116m}In reaction cross-section was used as the neutron flux monitor. The {sup 55}Mn(n,γ){sup 56}Mn reaction cross-section at the neutron energies of 4.12 MeV are reported for the first time, whereas at 1.12, 2.12 and 3.12 MeV, they are in between the literature data. The {sup 55}Mn(n,γ){sup 56}Mn reaction cross-section was also calculated theoretically by using the computer code TALYS 1.6 and EMPIRE 3.2.2. The experimental data of present work are found to be in between the theoretical values of TALYS and EMPIRE.

Mn3O4 precipitates in Ag and Cu studied with HRTEM : orientation relations and tetragonal twinning

NARCIS (Netherlands)

Kooi, B.J.; de Hosson, J.T.M.; Sarton, LAJ; Zeedijk, HB

1997-01-01

Internal oxidation of Ag-3at.%Mn resulted in Mn3O4 precipitates and of Cu-1at.%Mn gave rise to MnO and a minor amount of Mn3O4 precipitates. In Cu Mn3O4 transformed out of MnO, whereas in Ag Mn3O4 developed directly. Predominantly, precipitates with parallel topotaxy and an octahedron shape due to 8

Effects of time on the magnetic properties of terbium-doped LaMnO{sub 3}

Energy Technology Data Exchange (ETDEWEB)

Liu Weibin [Department of Physics, Beijing University of Aeronautics and Astronautics, Beijing 100191 (China); Zhang Yingtang, E-mail: zhangyingtang76@mail.xjtu.edu.cn [School of Material Science and Engineering, Institute of Functional Material, Shaanxi University of Technology, Hanzhong 723003 (China); State Key Laboratory of Electrical Insulation and Power Equipment and MOE Key Laboratory for Nonequilibrium Synthesis and Modulation of Condensed Matter, Xi' an Jiaotong University, Xi' an 710049 (China); Guan Wen [State Key Laboratory of Electrical Insulation and Power Equipment and MOE Key Laboratory for Nonequilibrium Synthesis and Modulation of Condensed Matter, Xi' an Jiaotong University, Xi' an 710049 (China); Kinsman, William [Department of Materials Science and Engineering, Pennsylvania State University, University Park, PA 16802 (United States); Yuan Xinqiang [School of Material Science and Engineering, Institute of Functional Material, Shaanxi University of Technology, Hanzhong 723003 (China); Chen Ziyu [Department of Physics, Beijing University of Aeronautics and Astronautics, Beijing 100191 (China)

2012-09-01

The magnetic properties of the perovskite form of LaMnO{sub 3} have been shown strong interest in recent years due to its high potential for use in magnetic devices. In this paper, the magnetic properties of a 30% terbium-doped LaMnO{sub 3} (LMTO) perovskite manganite synthesized by a conventional solid-state reaction were investigated. Data on these properties was recorded periodically via SQUID and VSM to reveal it to be best described magnetically as a spin glass system. Thus, the time effect must be taken into consideration in instantaneously determining this material's spin glass state as well as the overall magnetic properties in the absence of a magnetic field. The results of this paper point to a more in-depth understanding of the change in magnetic properties associated with doped LaMnO{sub 3}.

On the energy scale involved in the metal to insulator transition of quadruple perovskite EuCu3Fe4O12: infrared spectroscopy and ab-initio calculations.

Science.gov (United States)

Brière, B; Kalinko, A; Yamada, I; Roy, P; Brubach, J B; Sopracase, R; Zaghrioui, M; Phuoc, V Ta

2016-06-27

Optical measurements were carried out by infrared spectroscopy on AA'3B4O12 A-site ordered quadruple perovskite EuCu3Fe4O12 (microscopic sample) as function of temperature. At 240 K (=TMI), EuCu3Fe4O12 undergoes a very abrupt metal to insulator transition, a paramagnetic to antiferromagnetic transition and an isostructural transformation with an abrupt large volume expansion. Above TMI, optical conductivity reveals a bad metal behavior and below TMI, an insulating phase with an optical gap of 125 meV is observed. As temperature is decreased, a large and abrupt spectral weight transfer toward an energy scale larger than 1 eV is detected. Concurrently, electronic structure calculations for both high and low temperature phases were compared to the optical conductivity results giving a precise pattern of the transition. Density of states and computed optical conductivity analysis identified Cu3dxy, Fe3d and O2p orbitals as principal actors of the spectral weight transfer. The present work constitutes a first step to shed light on EuCu3Fe4O12 electronic properties with optical measurements and ab-initio calculations.

Studies on electrical conduction behavior of La1-3xCaxBaxSrxMnO3 synthesized by chemical route

International Nuclear Information System (INIS)

Rai, A.K.; Parkash, O.; Mandal, K.D.

2008-01-01

In the manganite La 1-x M x MnO 3 (M=Ca,Ba,Sr) the doping concentration introduces a mixed valency (Mn 3+ , Mn 4+ ) which governs the magnetic and electrical properties of the compound. The perovskite oxides La 1-3x Ca x Ba x Sr x MnO 3 (x=0.00,0.05,0.10) were prepared by chemical method. Single-phase formation is confirmed by XRD studies. The electrical behavior of compositions with x=0.00, 0.05 and 0.10 in the system La 1-3x Ca x Ba x Sr x MnO 3 was studied in the temperature range 300-420 K. It is observed that conductivity decreases with increasing temperature as well as dopants concentration. Metallic behavior of these compositions decreases with increasing dopants concentration (x). The microstructures of these samples have been characterized using scanning electron microscopy (SEM). (copyright 2007 WILEY -VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

Evolution of the structural and multiferroic properties of PbFe{sub 2/3}W{sub 1/3}O{sub 3} ceramics upon Mn-doping

Energy Technology Data Exchange (ETDEWEB)

Ivanov, S.A. [Center of Materials Science, Karpov' Institute of Physical Chemistry, Vorontsovo Pole 10, Moscow, 105064 (Russian Federation); Department of Engineering Sciences, Uppsala University, Box 534, 751 21, Uppsala (Sweden); Bush, A.A. [Moscow State University of Information Technologies, RadioEngineering and Electronics, pr.Vernadskogo 78, Moscow, 119454 (Russian Federation); Ritter, C. [Institute Laue-Langevin, BP 156, F-38042, Grenoble (France); Behtin, M.A. [Moscow State University of Information Technologies, RadioEngineering and Electronics, pr.Vernadskogo 78, Moscow, 119454 (Russian Federation); Cherepanov, V.M. [National Research Centre Kurchatov Institute, pl. Kurchatova 1, Moscow, 123182 (Russian Federation); Autieri, C.; Kvashnin, Y.O.; Di Marco, I.; Sanyal, B.; Eriksson, O. [Department of Physics and Astronomy, Uppsala University, Box 516, 751 20, Uppsala (Sweden); Kumar, P. Anil; Nordblad, P. [Department of Engineering Sciences, Uppsala University, Box 534, 751 21, Uppsala (Sweden); Mathieu, R., E-mail: roland.mathieu@angstrom.uu.se [Department of Engineering Sciences, Uppsala University, Box 534, 751 21, Uppsala (Sweden)

2017-02-01

The perovskite system Pb(Fe{sub 1-x}Mn{sub x}){sub 2/3}W{sub 1/3}O{sub 3} (0 ≤ x ≤ 1, PFMWO) has been prepared by conventional solid-state reaction under different sintering conditions. Structures and phase composition as well as thermal, magnetic and dielectric properties of the compounds have been systematically investigated experimentally and by first-principles density functional calculations. A clean perovskite phase is established at room temperature for compositions 0 ≤ x ≤ 0.4. Rietveld refinements of X-ray and neutron powder diffraction patterns demonstrate that the compounds crystallize in space group Pm-3m (0 ≤ x ≤ 0.4). The degree of ordering of the Fe and W/Mn cations was found to depend on the concentration of Mn. First-principles calculations suggest that the structural properties of PFMWO are strongly influenced by the Jahn-Teller effect. The PFMWO compounds behave as relaxor ferroelectrics at weak Mn-doping with a dielectric constant that rapidly decreases with increasing Mn content. A low temperature antiferromagnetic G-type order with propagation vector k = (1/2,1/2,1/2) is derived from neutron powder diffraction data for the samples with x ≤ 0.4. However with increasing doping concentration, the magnetic order is perturbed. First-principles calculations show that the dominant exchange coupling is antiferromagnetic and occurs between nearest neighbor Fe atoms. When the system is doped with Mn, a relatively weak ferromagnetic (FM) interaction between Fe and Mn atoms emerges. However, due to the presence of this FM interaction, the correlation length of the magnetic order is greatly shortened already at rather low doping levels. - Highlights: • The perovskite system Pb(Fe{sub 1−x}Mn{sub x}){sub 2/3}W{sub 1/3}O{sub 3} (0 ≤ x ≤ 1, PFMWO) has been synthesized. • The structural, magnetic, and dielectric properties of PFMWO have been investigated. • The degree of ordering of the Fe and W/Mn cations was found to depend on x. �

Magnetic properties of GdMnO3 nanoparticles embedded in mesoporous silica

Science.gov (United States)

Tajiri, Takayuki; Mito, Masaki; Deguchi, Hiroyuki; Kohno, Atsushi

2018-05-01

Perovskite manganite GdMnO3 nanoparticles were synthesized using mesoporous silica as a template, and their magnetic properties and crystal structure were investigated. Powder X-ray diffraction data indicated successful synthesis of the GdMnO3 nanoparticles, with mean particle sizes of 13.9 and 20.9 nm. The lattice constants for the nanoparticles were slightly different from those for the bulk material and varied with the particle size. The magnetic transition temperatures for the nanoparticles were higher than those of the bulk crystal. The synthesized GdMnO3 nanoparticles exhibited superparamagnetic behaviors: The blocking temperature, coercive field, and transition temperature depended on the particle size. Magnetic measurements and crystal structure analysis suggest that the changes in the magnetic properties for GdMnO3 nanoparticles can be attributed to the modulation of the crystallographic structure.

Ant-cave structured MnCO3/Mn3O4 microcubes by biopolymer-assisted facile synthesis for high-performance pseudocapacitors

Science.gov (United States)

Chandra Sekhar, S.; Nagaraju, Goli; Yu, Jae Su

2018-03-01

Porous and ant-cave structured MnCO3/Mn3O4 microcubes (MCs) were facilely synthesized via a biopolymer-assisted hydrothermal approach. Herein, chitosan was used as a natural biopolymer, which greatly controls the surface morphology and size of the prepared composite. The amino and hydroxyl group-functionalized chitosan engraves the outer surface of MCs during the hydrothermal process, which designs the interesting morphology of nanopath ways on the surface of MCs. When used as an electrode material for pseudocapacitors, the ant-cave structured MnCO3/Mn3O4 MCs showed superior energy storage values compared to the material prepared without chitosan in aqueous electrolyte solution. Precisely, the prepared ant-cave structured MnCO3/Mn3O4 MCs exhibited a maximum specific capacitance of 116.2 F/g at a current density of 0.7 A/g with an excellent cycling stability of 73.86% after 2000 cycles. Such facile and low-cost synthesis of pseudocapacitive materials with porous nanopaths is favorable for the fabrication of high-performance energy storage devices.

NaIrO3-A pentavalent post-perovskite

International Nuclear Information System (INIS)

Bremholm, M.; Dutton, S.E.; Stephens, P.W.; Cava, R.J.

2011-01-01

Sodium iridium (V) oxide, NaIrO 3, was synthesized by a high pressure solid state method and recovered to ambient conditions. It is found to be isostructural with CaIrO 3 , the much-studied structural analog of the high-pressure post-perovskite phase of MgSiO 3 . Among the oxide post-perovskites, NaIrO 3 is the first example with a pentavalent cation. The structure consists of layers of corner- and edge-sharing IrO 6 octahedra separated by layers of NaO 8 bicapped trigonal prisms. NaIrO 3 shows no magnetic ordering and resistivity measurements show non-metallic behavior. The crystal structure, electrical and magnetic properties are discussed and compared to known post-perovskites and pentavalent perovskite metal oxides. -- Graphical abstract: Sodium iridium(V) oxide, NaIrO 3 , synthesized by a high pressure solid state method and recovered to ambient conditions is found to crystallize as the post-perovskite structure and is the first example of a pentavalent ABO 3 post-perovskite. Research highlights: → NaIrO 3 post-perovskite stabilized by pressure. → First example of a pentavalent oxide post-perovskite. → Non-metallic and non-magnetic behavior of NaIrO 3 .

Synthesis and characterization of La1+xSr2-xCoMnO7-δ (x=0,0.2; δ=0,1)

International Nuclear Information System (INIS)

El Shinawi, H.; Bertha, A.; Hadermann, J.; Herranz, T.; Santos, B.; Marco, J.F.; Berry, F.J.; Greaves, C.

2010-01-01

The n=2 Ruddlesden-Popper phases LaSr 2 CoMnO 7 and La 1.2 Sr 1.8 CoMnO 7 have been synthesized by a sol-gel method. The O6-type phases LaSr 2 CoMnO 6 and La 1.2 Sr 1.8 CoMnO 6 were produced by reduction of the O7 phases under a hydrogen atmosphere. The materials crystallize in the tetragonal I4/mmm space group with no evidence of long-range cation order in the neutron and electron diffraction data. Oxygen vacancies in the reduced materials are located primarily at the common apex of the double perovskite layers giving rise to square pyramidal coordination around cobalt and manganese ions. The oxidation states Co 3+ /Mn 4+ and Co 2+ /Mn 3+ predominate in the as-prepared and reduced materials, respectively. The materials are spin glasses at low temperature and the dominant magnetic interactions change from ferro- to antiferromagnetic following reduction. - Graphical abstract: The n=2 Ruddlesden-Popper phases LaSr 2 CoMnO 7 , La 1.2 Sr 1.8 CoMnO 7 , LaSr 2 CoMnO 6 and La 1.2 Sr 1.8 CoMnO 6 are synthesized and characterized.

Synthesis of Mn3O4 nanoparticles via chemical precipitation approach for supercapacitor application

International Nuclear Information System (INIS)

Gnana Sundara Raj, Balasubramaniam; Asiri, Abdullah M.; Wu, Jerry J.; Anandan, Sambandam

2015-01-01

Highlights: • Facile synthesis of Mn 3 O 4 nanoparticles at room temperature via simple chemical precipitation method. • Fabricated supercapacitor device shows maximum specific capacitance in 1 M Na 2 SO 4 . • 77% of specific capacitance is retained even after 1000 cycles. - Abstract: A simple chemical precipitation method has been used for the preparation of Mn 3 O 4 nanoparticles at room temperature. The crystal structure and morphology studies of the resulting Mn 3 O 4 nanoparticles were characterized by powder X-ray diffraction (XRD), Fourier transform-infrared spectroscopy (FT-IR), Raman spectroscopy, scanning electron microscope (SEM), transmission electron microscope (TEM), N 2 adsorption and desorption and X-ray photoelectron spectroscopy (XPS). The electrochemical properties of the Mn 3 O 4 nanoparticles were then investigated using cyclic voltammetry (CV), galvanostatic charge–discharge and electrochemical impedance spectroscopy (EIS) analysis. The supercapacitive properties of Mn 3 O 4 nanoparticles in the presence of 1 M Na 2 SO 4 exhibited a high specific capacitance of 322 F g −1 at a current density of 0.5 mA cm −2 in the potential range from −0.1 to +0.9 V and about 77% of the initial capacitance was retained after 1000 cycles, indicating that the Mn 3 O 4 electrode owns a good electrochemical stability and capacitance retention capability. The results suggest that the obtained Mn 3 O 4 nanoparticles is a promising electrode material for supercapacitor applications

Magnetic characterization of Nd0.8Sr0.2(Mn1-x Co x )O3 perovskites

International Nuclear Information System (INIS)

Vidal, Karmele; Lezama, Luis; Arriortua, Maria I.; Rojo, Teofilo; Gutierrez, Jon; Barandiaran, Jose M.

2005-01-01

We present a magnetic study of the family of perovskites Nd 0.8 Sr 0.2 (Mn 1- x Co x )O 3 (x=0.1, 0.2 and 0.3). These compositions have been prepared by using both the sol-gel method and the freeze-drying technique. As a result, we have obtained polycrystalline powder-like samples. We have obtained pure compounds that have been indexed in the Pnma space group. The study of their magnetic properties shows a decrease of the measured low-temperature magnetic moment as the content of Co increases in the composition. However, a similar magnetic ordering temperature of about 130 K has been determined for all samples. All the studied compounds show insulating behaviour of the electrical resistivity

Synthesis of poly(3,4-propylenedioxythiophene/MnO2 composites and their applications in the adsorptive removal of methylene blue

Directory of Open Access Journals (Sweden)

Ruxangul Jamal

2016-02-01

Full Text Available The poly(3,4-propylenedioxythiophene/MnO2 composites (PProDOT/MnO2 were prepared successfully by soaking the PProDOT powders into potassium permanganate (KMnO4 solution, with the mass ratio of PProDOT and KMnO4 from 2:1 to 1:2. The structure and morphology of composites were characterized by Fourier transform infrared spectroscopy (FTIR, Raman spectroscopy, ultraviolet–visible absorption spectra (UV, X-ray diffraction (XRD, energy-dispersive X-ray spectroscopy (EDX and field emission scanning electron microscope (FE-SEM. Furthermore, PProDOT/MnO2 composites were tested as the adsorbents for removal of methylene blue (MB from aqueous solution. The results revealed that the composites were successfully synthesized, and the thiophene sulfur was oxidized into sulfoxide by KMnO4. The highest percentage removal of MB after 30 min was 91% for PProDOT/MnO2 (1:2 composite, and the percentage removal of MB was ~12 mg g−1 after 60 min at initial concentrations of MB dye of 5.6 mg L−1 in the case of PProDOT/MnO2 (1:2 composite. Besides, the adsorption process of PProDOT/MnO2 (1:2 composite was described by pseudo-second-order and Langmuir models.

Folate conjugated Mn{sub 3}O{sub 4}@SiO{sub 2} nanoparticles for targeted magnetic resonance imaging in vivo

Energy Technology Data Exchange (ETDEWEB)

Yang, Xinyi [The Education Ministry Key Lab of Resource Chemistry and Shanghai Key Laboratory of Rare Earth Functional Materials, Shanghai Normal University, Shanghai 200234 (China); Zhou, Zhiguo, E-mail: zgzhou@shnu.edu.cn [The Education Ministry Key Lab of Resource Chemistry and Shanghai Key Laboratory of Rare Earth Functional Materials, Shanghai Normal University, Shanghai 200234 (China); Wang, Li; Tang, Caizhi; Yang, Hong [The Education Ministry Key Lab of Resource Chemistry and Shanghai Key Laboratory of Rare Earth Functional Materials, Shanghai Normal University, Shanghai 200234 (China); Yang, Shiping, E-mail: shipingy@shnu.edu.cn [The Education Ministry Key Lab of Resource Chemistry and Shanghai Key Laboratory of Rare Earth Functional Materials, Shanghai Normal University, Shanghai 200234 (China); The Education Ministry Key Lab of Pesticide and Chemical Biology, South China Agricultural University, Guangzhou 510641 (China)

2014-09-15

Graphical abstract: The Mn{sub 3}O{sub 4}@SiO{sub 2}(PEG)–FA has been used as a T{sub 1}-MRI probe for in vivo. - Highlights: • The PEG and FA modified Mn{sub 3}O{sub 4}@SiO{sub 2} nanoparticles (Mn{sub 3}O{sub 4}@SiO{sub 2}–FA) were prepared. • Mn{sub 3}O{sub 4}@SiO{sub 2}–FA exhibited the good colloidal stability in the simulated biological medium. • Mn{sub 3}O{sub 4}@SiO{sub 2}–FA showed the targeting ability to HeLa cells overexpressed the FA receptor. • The T{sub 1}-weighted magnetic resonance (MR) imaging demonstrated the targeting ability of Mn{sub 3}O{sub 4}@SiO{sub 2}–FA in vivo tumor. - Abstract: The monodisperse silica-coated manganese oxide nanoparticles (Mn{sub 3}O{sub 4}@SiO{sub 2} NPs) were synthesized via the high temperature pyrolysis approach and were aminated through silanization. The amine-functionalized Mn{sub 3}O{sub 4} NPs enabled the covalent conjugation of hydrophilic methoxypoly(ethylene glycol) (PEG) and the targeting ligand of folate (FA) onto their surface. The formed PEG and FA modified Mn{sub 3}O{sub 4} NPs (Mn{sub 3}O{sub 4}@SiO{sub 2}(PEG)–FA) exhibited the good colloidal stability in the simulated biological medium and the targeting ability to HeLa cells overexpressed the FA receptor. The T{sub 1}-weighted magnetic resonance (MR) imaging and inductively coupled plasma atomic emission spectroscopy (ICP-AES) analysis of Mn{sub 3}O{sub 4}@SiO{sub 2}(PEG)–FA NPs further demonstrated their targeting ability in tumor.

Highly efficient alkane oxidation catalyzed by [Mn(V)(N)(CN)4](2-). Evidence for [Mn(VII)(N)(O)(CN)4](2-) as an active intermediate.

Science.gov (United States)

Ma, Li; Pan, Yi; Man, Wai-Lun; Kwong, Hoi-Ki; Lam, William W Y; Chen, Gui; Lau, Kai-Chung; Lau, Tai-Chu

2014-05-28

The oxidation of various alkanes catalyzed by [Mn(V)(N)(CN)4](2-) using various terminal oxidants at room temperature has been investigated. Excellent yields of alcohols and ketones (>95%) are obtained using H2O2 as oxidant and CF3CH2OH as solvent. Good yields (>80%) are also obtained using (NH4)2[Ce(NO3)6] in CF3CH2OH/H2O. Kinetic isotope effects (KIEs) are determined by using an equimolar mixture of cyclohexane (c-C6H12) and cyclohexane-d12 (c-C6D12) as substrate. The KIEs are 3.1 ± 0.3 and 3.6 ± 0.2 for oxidation by H2O2 and Ce(IV), respectively. On the other hand, the rate constants for the formation of products using c-C6H12 or c-C6D12 as single substrate are the same. These results are consistent with initial rate-limiting formation of an active intermediate between [Mn(N)(CN)4](2-) and H2O2 or Ce(IV), followed by H-atom abstraction from cyclohexane by the active intermediate. When PhCH2C(CH3)2OOH (MPPH) is used as oxidant for the oxidation of c-C6H12, the major products are c-C6H11OH, c-C6H10O, and PhCH2C(CH3)2OH (MPPOH), suggesting heterolytic cleavage of MPPH to generate a Mn═O intermediate. In the reaction of H2O2 with [Mn(N)(CN)4](2-) in CF3CH2OH, a peak at m/z 628.1 was observed in the electrospray ionization mass spectrometry, which is assigned to the solvated manganese nitrido oxo species, (PPh4)[Mn(N)(O)(CN)4](-)·CF3CH2OH. On the basis of the experimental results the proposed mechanism for catalytic alkane oxidation by [Mn(V)(N)(CN)4](2-)/ROOH involves initial rate-limiting O-atom transfer from ROOH to [Mn(N)(CN)4](2-) to generate a manganese(VII) nitrido oxo active species, [Mn(VII)(N)(O)(CN)4](2-), which then oxidizes alkanes (R'H) via a H-atom abstraction/O-rebound mechanism. The proposed mechanism is also supported by density functional theory calculations.

Fabrication and characterization of perovskite solar cells added with MnCl2, YCl3 or poly(methyl methacrylate)

Science.gov (United States)

Taguchi, Masaya; Suzuki, Atsushi; Tanaka, Hiroki; Oku, Takeo

2018-01-01

Perovskite-type CH3NH3PbI3-based photovoltaic devices were fabricated and characterized. Effects of manganese (Mn), yttrium (Y) compounds addition into the perovskite crystal on the photovoltaic properties were investigated. Also, the effects of poly(methyl methacrylate) (PMMA) addition on perovskite layer on the photovoltaic properties were investigated. When 3 % MnCl2 was added, the short circuit current density and conversion efficiency were improved by promoting the crystal growth of perovskite phase. The photoelectric conversion efficiency for 0.9 mg mL-1 PMMA added was 7.36 %. Open circuit voltage and fill factor were improved by 5 % YCl3 addition.

Magnon Broadening Effects in Double Layered Manganite La_1.2 Sr_1.8 Mn_2 O_7

OpenAIRE

Furukawa, Nobuo; Hirota, Kazuma

1999-01-01

Magnon linewidth of La_1.2 Sr_1.8 Mn_2 O_7 near the Brillouin zone boundary is investigated from both theoretical and experimental points of view. Abrupt magnon broadening is ascribed to a strong magnon-phonon coupling. Magnon broadening observed in cubic perovskite manganites is also discussed.

Mn3O4 nanoparticles embedded into graphene nanosheets: Preparation, characterization, and electrochemical properties for supercapacitors

International Nuclear Information System (INIS)

Wang Bei; Park, Jinsoo; Wang Chengyin; Ahn, Hyojun; Wang, Guoxiu

2010-01-01

Mn 3 O 4 /graphene nanocomposites were synthesized by mixing graphene suspension in ethylene glycol with MnO 2 organosol, followed by subsequent ultrasonication processing and heat treatment. The as-prepared product consists of nanosized Mn 3 O 4 particles homogeneously distributed on graphene nanosheets, which has been confirmed by field emission scanning electron microscopy and transmission electron microscopy analysis. Atomic force microscope analysis further identified the distribution of dense Mn 3 O 4 nanoparticles on graphene nanosheets. When used as electrode materials in supercapacitors, Mn 3 O 4 /graphene nanocomposites exhibited a high specific capacitance of 175 F g -1 in 1 M Na 2 SO 4 electrolyte and 256 F g -1 in 6 M KOH electrolyte, respectively. The enhanced supercapacitance of Mn 3 O 4 /graphene nanocomposites could be ascribed to both electrochemical contributions of Mn 3 O 4 nanoparticles, functional groups attached to graphene nanosheets, and significantly increased specific surface area.

Structural characterization of PbTi03, Sm0.6Nd0.4NiO3 and NdMnO3 multifunctional Perovskite thin films

Directory of Open Access Journals (Sweden)

Rapenne L.

2012-06-01

Full Text Available Different multifunctional (PbTiO3, Sm0.6Nd0.4NiO3, NdMnO3 thin films were grown by metalorganic chemical vapor deposition (MOCVD technique on SrTiO3 and LaAlO3 substrates. TEM and X-ray diffraction measurements reveal that almost single crystalline thin films can be epitaxially grown on the top of substrates. The relationship between the crystallographic orientation of the films and those of the substrates were determined by reciprocal space mapping and TEM analyses. PbTi03 thin films appear to be under tensile or compressive strain according to the different mismatch of their cell parameter with those of the substrate. Relaxation mechanism as a function of the film thickness arises from coexistence of different type of domains and size and strain effect are analyzed. SmNiO3 thin films present diffuse scattering strikes and are less well organized when compared to PbTi03 thin films. Different domains are observed as well as an additional parasitic phase close to NiO. Its regular distribution can be associated to reduced transport properties. Preliminary observations on NdMnO3 thin films show that an amorphous phase is obtained during MOCVD that can be transformed in a single crystalline film by annealing. The films are under tensile or compressive strain according to the different mismatch of their cell parameter with those of the substrate. Magnetic properties are investigated.

Thermal conductivity of electron-doped CaMnO3 perovskites: Local lattice distortions and optical phonon thermal excitation

International Nuclear Information System (INIS)

Wang Yang; Sui Yu; Wang Xianjie; Su Wenhui; Liu Xiaoyang; Fan, Hong Jin

2010-01-01

The thermal transport properties of a series of electron-doped CaMnO 3 perovskites have been investigated. Throughout the temperature range 5-300 K, phonon thermal conductivity is dominant, and both electron and spin wave contributions are negligible. The short phonon mean free paths in this system result in the relatively low thermal conductivities. The strong phonon scatterings stem from the A-site mismatch and bond-length fluctuations induced by local distortions of MnO 6 octahedra. The thermal conductivity in the magnetically ordered state is enhanced as a result of the decrease in spin-phonon scattering. The results also indicate that above the magnetic ordering temperature, observable thermal excitation of optical phonons occurs. The contribution of optical phonons to thermal conductivity becomes non-negligible and is proposed to play an important role in the glass-like thermal transport behavior (i.e. positive temperature dependence of the thermal conductivity) in the paramagnetic state. These features can be understood in terms of an expression of thermal conductivity that includes both acoustic and optical phonon terms.

Chemical solution deposition of LaMnO3-based films for coated conductors

International Nuclear Information System (INIS)

Shi, D Q; Zhu, X B; Kim, J H; Wang, L; Zeng, R; Dou, S X; Lei, H C; Sun, Y P

2008-01-01

LaMnO 3 -based films were prepared using the chemical solution deposition method. It was found that the films on perovskite oxide single crystal substrates are highly (h00)-oriented when the annealing atmosphere is oxygen or air; however, when the substrate is yttrium-stabilized ZrO 2 , only the La 1-x Na x MnO 3 films are highly (h00)-oriented, and other LaMnO 3 -based films are (110)-oriented. Under a reducing annealing atmosphere, the atmosphere must be wet in order to create a suitable oxygen partial pressure to crystallize the LaMnO 3 -based films. After annealing under a wet reducing atmosphere the LaMnO 3 -based films are (110)-oriented when the films are directly deposited on Ni tapes; however, when SrTiO 3 -buffered Ni tapes are used, the LaMnO 3 films are (h00)-oriented, which is suitable for subsequent growth of YBCO. The results suggest that it is possible to tune the orientation of buffer layers using suitable templates, which can widen the selection of buffer layers for coated conductors in the all metallorganic deposition approach

A novel reduction synthesis of the graphene/Mn{sub 3}O{sub 4} nanocomposite for supercapacitors

Energy Technology Data Exchange (ETDEWEB)

Zhang, Na; Qi, Peng; Ding, Yan-Hua; Huang, Cheng-Jie; Zhang, Jian-Yong; Fang, Yong-Zheng

2016-05-15

Graphene/Mn{sub 3}O{sub 4} nanocomposite is successfully synthesized from graphene oxide (GO)/MnO{sub 2} precursor using dilute hydrazine hydrate assisted hydrothermal reaction (DAH method). X-ray photoelectron spectroscopy (XPS) and Raman characterizations confirm the decrease of oxygen-containing functional groups of GO. The results indicate that GO have been reduced to graphene to a large degree to increase the electronic conductive channels. The morphology and the phase transformation of MnO{sub 2} can be ascribed to the “dissolution-recrystallization” mechanism. Such nanocomposite, as electrode material for supercapacitor, exhibits a high specific capacitance of 326.9 F g{sup −1}, almost 4 times that of GO/MnO{sub 2} precursor (81.3 F g{sup −1}). The good cycle stability of 94.6% capacitance retention after 1000 cycles, can be explained by the firm interfacial cohesion between graphene and Mn{sub 3}O{sub 4} nanoparticle. This soft chemical DAH process could be readily extended to the preparation of other classes of hybrids. - Graphical abstract: The phase transition can be explained by the “dissolution-recrystallization” model. The GO/MnO{sub 2} precursor is reduced into graphene/Mn{sub 3}O{sub 4} by the DAH process, and the electrochemical property is dramatically enhanced. - Highlights: • Graphene/Mn{sub 3}O{sub 4} nanocomposite is firstly synthesized successfully from GO/MnO{sub 2} precursor. • The phase transformation from MnO{sub 2} to Mn{sub 3}O{sub 4} has occurred. • The specific capacitance of the graphene/Mn{sub 3}O{sub 4} (326.9 F/g) is 4 times that of GO/MnO{sub 2} precursor.

Structural, electrical and magnetic properties of Sb-doped Pr2/3Ba1/3MnO3 perovskite manganites

International Nuclear Information System (INIS)

Sen, Vikram; Panwar, Neeraj; Bhalla, G.L.; Agarwal, S.K.

2007-01-01

We report here the electrical, magnetic and micro-structural features of the Sb-doped (nominally at Mn-sites) Pr 2/3 Ba 1/3 MnO 3 perovskite manganites. Pristine material shows two insulator-metal (I-M) like transitions in the resistivity-temperature (ρ-T) behaviour. While the higher temperature transition (T P1 ) at ∼195 K is reminiscent of the usual metal-insulator transition, the lower temperature transition (T P2 ) at ∼160 K has been ascribed to the grain boundary (GB) effects arising out of the ionic size mismatch between the ions present at the rare-earth site (Pr and Ba). With Sb doping at the Mn-site, both the resistivity peaks are seen to shift to lower temperatures. Room temperature resistivity and the peak values are also successively increasing with Sb doping. Scanning electron micrographs of the samples indicate a gradual increase in their grain sizes with Sb which indicates a gradual decrease in the GB density. The higher temperature insulator-metal transition (T P1 ) shift is explained on the basis of a competition between double-exchange and super-exchange mechanisms. The observed overall resistivity increase and the shift in the resistivity hump (T P2 ) with Sb are found related to the gradually decreasing GB density and the ensuing lattice strain increase at the grain boundaries. The intrinsic MR gets suppressed and the extrinsic MR gets enhanced with Sb doping. The observed low temperature resistivity upturn related to the localization of carriers, is also seen to increase with Sb

Synthesis, crystal structure, and properties of KSbO{sub 3}-type Bi{sub 3}Mn{sub 1.9}Te{sub 1.1}O{sub 11}

Energy Technology Data Exchange (ETDEWEB)

Li Manrong; Retuerto, Maria; Bok Go, Yong; Emge, Thomas J. [Department of Chemistry and Chemical Biology, Rutgers, State University of New Jersey, 610 Taylor Road, Piscataway, NJ 08854 (United States); Croft, Mark; Ignatov, Alex [Department of Physics and Astronomy, Rutgers, State University of New Jersey, 136 Frelinghuysen Road, Piscataway, NJ 08854 (United States); Ramanujachary, Kandalam V. [Department of Chemistry and Biochemistry, Rowan University, 210 Mullica Hill Road, Glassboro, NJ 08028 (United States); Dachraoui, Walid; Hadermann, Joke [EMAT, University of Antwerp, Groenenborgerlaan 171, B-2020 Antwerp (Belgium); Tang Meibo; Zhao Jingtai [Key Laboratory of Transparent Opto-Functional Inorganic Materials of Chinese Academy of Sciences, Shanghai Institute of Ceramics, Shanghai 200050 (China); Greenblatt, Martha, E-mail: martha@rutchem.rutgers.edu [Department of Chemistry and Chemical Biology, Rutgers, State University of New Jersey, 610 Taylor Road, Piscataway, NJ 08854 (United States)

2013-01-15

Single crystals of Bi{sub 3}Mn{sub 1.9}Te{sub 1.1}O{sub 11} were prepared from NaCl+KCl flux. This compound adopts KSbO{sub 3}-type crystal structure as evidenced by electron and single crystal X-ray diffraction analysis. The three-dimensional channel structure is formed by corner-sharing octahedral (Mn{sub 0.63}Te{sub 0.37}){sub 2}O{sub 10} dimers and two identical (Bi1){sub 4}(Bi2){sub 2} interpenetrating lattices. The intra-dimer Mn/Te-Mn/Te distances in Bi{sub 3}Mn{sub 1.9}Te{sub 1.1}O{sub 11} are short and are consistent with weak metal-metal interactions. The mixed oxidation state of manganese and the edge-sharing octahedral features are confirmed by X-ray near edge absorption spectroscopy measurements, which indicate Bi{sub 3}(Mn{sup III}{sub 1.1}Mn{sup IV}{sub 0.8})Te{sup VI}{sub 1.1}O{sub 11} with 57.7% Mn{sup 3+} and 42.3% Mn{sup 4+}. The partial substitution of Te for Mn perturbs long-range magnetic interactions, thereby destroying the ferromagnetic ordering found in Bi{sub 3}Mn{sub 3}O{sub 11} (T{sub C}=150 K). - Graphical abstract: Single crystal of Bi{sub 3}Mn{sub 1.9}Te{sub 1.1}O{sub 11} was grown from NaCl+KCl binary flux, suggesting that the high pressure Bi{sub 3}Mn{sub 3}O{sub 11} phase can be stabilized by partial substitution of Mn by Te at ambient pressure. Bi{sub 3}Mn{sub 1.9}Te{sub 1.1}O{sub 11} adopts a typical three dimensional KSbO{sub 3}-type crystal structure with three interpenetrating lattices and weak intra-dimmer metal-metal interaction caused by the d electrons of Mn. The edge-shared (Mn{sub 0.63}Te{sub 0.37}){sub 2}O{sub 10} octahedral dimer and mixed oxidation state of manganese (Bi{sub 3}(Mn{sup III}{sub 1.1}Mn{sup IV}{sub 0.8})Te{sup VI}{sub 1.1}O{sub 11} with 57.7% Mn{sup 3+} and 42.3% Mn{sup 4+}) features were evidenced by X-ray absorption near edge spectroscopy. Compared with Bi{sub 3}Mn{sub 3}O{sub 11}, the Te substituted Bi{sub 3}Mn{sub 1.9}Te{sub 1.1}O{sub 11} relaxes the crystal structure, but destroys the long

Adsorption-controlled growth of BiMnO3 films by molecular-beam epitaxy

International Nuclear Information System (INIS)

Lee, J. H.; Ke, X.; Misra, R.; Schiffer, P.; Ihlefeld, J. F.; Mei, Z. G.; Liu, Z. K.; Xu, X. S.; Musfeldt, J. L.; Heeg, T.; Schlom, D. G.; Roeckerath, M.; Schubert, J.

2010-01-01

We have developed the means to grow BiMnO 3 thin films with unparalleled structural perfection by reactive molecular-beam epitaxy and determined its band gap. Film growth occurs in an adsorption-controlled growth regime. Within this growth window bounded by oxygen pressure and substrate temperature at a fixed bismuth overpressure, single-phase films of the metastable perovskite BiMnO 3 may be grown by epitaxial stabilization. X-ray diffraction reveals phase-pure and epitaxial films with ω rocking curve full width at half maximum values as narrow as 11 arc sec (0.003 deg. ). Optical absorption measurements reveal that BiMnO 3 has a direct band gap of 1.1±0.1 eV.

Systematic study of photoluminescence upon band gap excitation in perovskite-type titanates R 1/2Na1/2TiO3:Pr (R=La, Gd, Lu, and Y)

International Nuclear Information System (INIS)

Inaguma, Yoshiyuki; Tsuchiya, Takeshi; Katsumata, Tetsuhiro

2007-01-01

Pr 3+ -doped perovskites R 1/2 Na 1/2 TiO 3 :Pr (R=La, Gd, Lu, and Y) were synthesized, and their structures, optical absorption and luminescent properties were investigated, and the relationship between structures and optical properties are discussed. Optical band gap of R 1/2 Na 1/2 TiO 3 increases in the order R=La, Gd, Y, and Lu, which is primarily due to a decrease in band width accompanied by a decrease in Ti-O-Ti bond angle. Intense red emission assigned to f-f transition of Pr 3+ from the excited 1 D 2 level to the ground 3 H 4 state upon the band gap photo-excitation (UV) was observed for all compounds. The wavelength of emission peaks was red-shifted in the order R=La, Gd, Y, and Lu, which originates from the increase in crystal field splitting of Pr 3+ . This is attributed to the decrease in inter-atomic distances of Pr-O together with the inter-atomic distances (R, Na)-O, i.e., increase in covalency between Pr and O. The results indicate that the luminescent properties in R 1/2 Na 1/2 TiO 3 :Pr are governed by the relative energy level between the ground and excited state of 4f 2 for Pr 3+ , and the conduction and valence band, which is primarily dependent on the structure, e.g., the tilt of TiO 6 octahedra and the Pr-Ti inter-atomic distance and the site symmetry of Pr ion. - Graphical abstract: The red intense emission assigned to f-f transition of Pr 3+ from the excited 1 D 2 level to the ground 3 H 4 state upon the band gap photo-excitation (UV) was observed upon the band gap photo-excitation in perovskites R 1/2 Na 1/2 TiO 3 :Pr(R=La, Gd, Lu, and Y). It was found that the systematic changes in their luminescent properties are strongly dependent on the structure

Rietveld refinement and electronic structure studies for the Sm2FeMnO6 new complex perovskite

International Nuclear Information System (INIS)

Landinez Tellez, D.A.; Munevar, J.A.; Arbey Rodriguez, J.M.; Fajardo, F.; Roa-Rojas, J.

2008-01-01

We report synthesis and crystalline structure study of the Sm 2 FeMnO 6 new complex perovskite, by X-ray diffraction experiments and through the application of Rietveld refinement. Results revealed the crystallization of system in a structure given by Pmn21 (no. 31) space group and lattice parameters a=7.621(1) A, b=5.675(3) A and c=5.378(3) A. Ab initio calculations of density of states (DOS) and electronic structure were carried out for this perovskite-like system by the density functional theory (DFT) and using the full-potential linearized augmented plane waves (FP-LAPW) method. All calculations were carried out using spin polarization. Material evidences a conductor-like character, predominantly due to d-xy Fe orbital of the spin down channel. Magnetic response of system has contributions of Fe and Mn spin up orientation. The calculated magnetic moment in cell was 34.48 μ B and the magnetic moment in interstitial was 1.54 μ B

Crystallographic and electronic structure of the Ca{sub 2}TiMnO{sub 6} double perovskite

Energy Technology Data Exchange (ETDEWEB)

López, J.P. Garzón [Grupo de Física de Nuevos Materiales, Departamento de Física, Universidad Nacional de Colombia, AA 5997 Bogotá DC (Colombia); Grupo de Estudios de Materiales – GEMA, Departamento de Física, Universidad Nacional de Colombia, AA 5997 Bogotá DC (Colombia); Cardona, R. [Grupo de Estudios de Materiales – GEMA, Departamento de Física, Universidad Nacional de Colombia, AA 5997 Bogotá DC (Colombia); Santos, A. Sarmiento [Grupo de Superficies, Electroquímica y Corrosión, Universidad Pedagógica y Tecnológica de Colombia, Tunja (Colombia); Téllez, D.A. Landínez [Grupo de Física de Nuevos Materiales, Departamento de Física, Universidad Nacional de Colombia, AA 5997 Bogotá DC (Colombia); Roa-Rojas, J., E-mail: jroar@unal.edu.co [Grupo de Física de Nuevos Materiales, Departamento de Física, Universidad Nacional de Colombia, AA 5997 Bogotá DC (Colombia)

2014-12-15

In this work, we report synthesis and crystalline structure study of the Ca{sub 2}TiMnO{sub 6} complex perovskite, by X-ray diffraction experiments and through the application of the Rietveld refinement using the GSAS code. Results revealed the crystallization of the system in a tetragonal perovskite with the characteristic structure given by I4/m (#87) space group and lattice parameters a=5.339(4) Å and c=7.736(6) Å. Ab initio calculations of density of states (DOS) and electronic structure were carried out for this perovskite-like system, by the Density Functional Theory (DFT) and using the Full-potential Linearized Augmented Plane Waves (FP-LAPW) method. The exchange-correlation potential was treated using the Generalized Gradient Approximation (GGA). All calculations were carried-out using spin polarization. For the up spin orientation the compound has a semiconducting behavior and for down spin polarization it behaves like a conductor. The calculated effective magnetic moment in cell was 4.02 μ{sub B}, which is close to the expected value calculated from Hund's rules.

Mn(ii) mediated degradation of artemisinin based on Fe3O4@MnSiO3-FA nanospheres for cancer therapy in vivo

Science.gov (United States)

Chen, Jian; Zhang, Weijie; Zhang, Min; Guo, Zhen; Wang, Haibao; He, Mengni; Xu, Pengping; Zhou, Jiajia; Liu, Zhenbang; Chen, Qianwang

2015-07-01

Artemisinin (ART) is a natural drug with potent anticancer activities related with Fe2+ mediated cleavage of the endoperoxide bridge in ART. Herein, we reported that Mn2+ could substitute for Fe2+ to react with ART and generate toxic products, inducing a much higher anticancer efficiency. On this basis, we prepared pH-responsive Fe3O4@MnSiO3-FA nanospheres which can efficiently deliver hydrophobic ART into tumors in mice models. Mn2+ was released in acidic tumor environments and intracellular lysosomes, interacting with ART to kill cancer cells. The ART-loaded nanocarriers could suppress tumor growth more efficiently than free ART, which could be further illustrated by magnetic resonance imaging (MRI). Histological analysis revealed that the drug delivery system had no obvious effect on the major organs of mice. ART has been reported to have lower toxicity than chemotherapeutics. The ART-loaded nanocarriers are promising to be used in improving the survival of chemotherapy patients, providing a novel method for clinical tumor therapy.Artemisinin (ART) is a natural drug with potent anticancer activities related with Fe2+ mediated cleavage of the endoperoxide bridge in ART. Herein, we reported that Mn2+ could substitute for Fe2+ to react with ART and generate toxic products, inducing a much higher anticancer efficiency. On this basis, we prepared pH-responsive Fe3O4@MnSiO3-FA nanospheres which can efficiently deliver hydrophobic ART into tumors in mice models. Mn2+ was released in acidic tumor environments and intracellular lysosomes, interacting with ART to kill cancer cells. The ART-loaded nanocarriers could suppress tumor growth more efficiently than free ART, which could be further illustrated by magnetic resonance imaging (MRI). Histological analysis revealed that the drug delivery system had no obvious effect on the major organs of mice. ART has been reported to have lower toxicity than chemotherapeutics. The ART-loaded nanocarriers are promising to be used in

Synthesis and crystal structure of the cesium silver permanganate Cs_3Ag[MnO_4]_4

International Nuclear Information System (INIS)

Bauchert, Joerg M.; Henning, Harald; Schleid, Thomas

2012-01-01

After successful syntheses and structural refinements of the already known permanganates of cesium (Cs[MnO_4]) and silver (Ag[MnO_4]) we started to blend aqueous solutions of both components in various molar ratios. From crystallization experiments of these mixtures only three species of crystals with different chemical compositions were obtained: tricesium monosilver tetrakispermanganate (Cs_3Ag[MnO_4]_4) and, depending upon the respective ratio, either additional silver permanganate or surplus cesium permanganate, namely. The new title compound crystallizes in the orthorhombic space group Pnnm (no. 58) with two formula units per unit cell and cell dimensions of a = 764.53(4), b = 1883.57(9) and c = 584.34(3) pm. The crystal structure of Cs_3Ag[MnO_4]_4 consists of two crystallographically distinguishable cesium cations. (Cs1)"+ is surrounded by fourteen oxygen atoms constructing a slightly distorted bicapped hexagonal prism. These polyhedra are connected through edge-sharing with two other polyhedra of this kind to form chains along [001]. The chains are linked to each other via sixfold coordinated Ag"+ cations (d(Ag-O) = 238-246 pm), arranged in such a manner that they link three oxygen atoms of two cesium polyhedra, leading to a two-dimensional layer spreading out parallel to the (001) plane. Together with the two crystallographically different tetrahedral oxomanganate(VII) anions [MnO_4]"- (d(Mn-O) = 161-162 pm) the other kind of cesium cations ((Cs2)"+ with CN = 13) finally connect these layers three-dimensionally. (Copyright copyright 2012 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

Characterization of Li4Ti5O12 and LiMn2O4 spinel materials treated with aqueous acidic solutions

NARCIS (Netherlands)

Simon, D.R.

2007-01-01

In this thesis an investigation of two spinel materials, Li4Ti5O12 and LiMn2O4 used for Li-ion battery applications is performed interms of formation and reactivity towards acidic solutions. Subsequent characterizations such as structural, magnetic, chemical, and electrochemical characterizations

Structural and magnetic properties of double-perovskite Ba2MnMoO6 by density functional theory

International Nuclear Information System (INIS)

Cardona, R.; Landinez Tellez, D.A.; Arbey Rodriguez M, J.; Fajardo, F.; Roa-Rojas, J.

2008-01-01

Perovskite-like materials which include magnetic elements have relevance due to the technological perspectives in the spintronics industry. In this work, we report the studies of Ba 2 MnMoO 6 material by using the density functional theory. The interchange-correlation potential was included through the generalized gradient approximation. Our structural calculations are in agreement with the experimental results which show that the material crystallizes in the 225 space group (Fm3-bar m) and has a lattice parameter of about 8070 A. The density of states study was carried out by considering the up and down spin orientations. Results show that Ba 2 MnMoO 6 has a conductor behavior due to dominant Mn spin-up and Mo spin-down contributions. The magnetic moment was calculated to be 2.9 μ B

Charge disproportionation of mixed-valent Cr triggered by Bi lone-pair effect in the A -site-ordered perovskite BiC u3C r4O12

Science.gov (United States)

Etter, Martin; Isobe, Masahiko; Sakurai, Hiroya; Yaresko, Alexander; Dinnebier, Robert E.; Takagi, Hidenori

2018-05-01

A new A -site-ordered perovskite BiC u3C r4O12 is synthesized under a high pressure of 7.7 GPa. A phase transition from a paramagnetic metal to a ferrimagnetic metal is observed at Tc=190 K accompanied with a structural change from cubic to monoclinic. Structural analysis of the low-temperature monoclinic phase reveals that this transition represents a charge disproportionation of C r3.75 + into C r4 + and C r3.5 + . We argue that the asymmetric displacement of Bi caused by a lone-pair effect triggers the formation of a dimeric Cr4+2O5 unit and leads to an ordering of C r4 + and C r3.5 + below the transition.

Anisotropic strains and magnetoresistance of La0.7Ca0.3MnO3

International Nuclear Information System (INIS)

Koo, T.Y.; Park, S.H.; Lee, K.; Jeong, Y.H.

1997-01-01

Thin films of perovskite manganite La 0.7 Ca 0.3 MnO 3 were grown epitaxially on SrTiO 3 (100), MgO(100) and LaAlO 3 (100) substrates by the pulsed laser deposition method. Microscopic structures of these thin film samples as well as a bulk sample were fully determined by x-ray diffraction measurements. The unit cells of the three films have different shapes, i.e., contracted tetragonal, cubic, and elongated tetragonal for SrTiO 3 , MgO, and LaAlO 3 , respectively, while the unit cell of the bulk is cubic. It is found that the samples with a cubic unit cell show smaller peak magnetoresistance at low fields (approx-lt 1T) than the noncubic ones do. The present result demonstrates that the magnetoresistance of La 0.7 Ca 0.3 MnO 3 at low fields can be controlled by lattice distortion via externally imposed strains. copyright 1997 American Institute of Physics

Porous quasi three-dimensional nano-Mn3O4 + PbO2 composite as supercapacitor electrode material

International Nuclear Information System (INIS)

Dan Yuanyuan; Lin Haibo; Liu Xiaolei; Lu Haiyan; Zhao Jingzhe; Shi Zhan; Guo Yupeng

2012-01-01

Highlights: ► We prepare nano-PbO 2 + Mn 3 O 4 composite material by composite deposition method. ► The nano-PbO 2 + Mn 3 O 4 composite has porous quasi three-dimensional structure. ► Maximum electrochemically effective area (R F ) of the composite is 72. ► The composite shows high specific capacitance up to ∼340 F g −1 . ► A general knowledge of the pesudocapacitance behavior of the composite is acquired. - Abstract: Nano-Mn 3 O 4 + PbO 2 composite electrode materials with different compositions are prepared by anodic composite electrodeposition in Pb 2+ plating solution containing suspended nano-Mn 3 O 4 particles (40–60 nm). The particles are synthesized via one-step homogeneous precipitation at low temperature. The composite materials are characterized by X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), and scanning electron microscopy (SEM) analyses. The results indicate that the composite composed of γ-Mn 3 O 4 and β-PbO 2 is porous and quasi three-dimensional (3D), and its maximum electrochemically effective area ratio (R F ) is 72. The capacitance performance of the composite is determined by cyclic voltammetry (CV), electrochemical impedance spectroscopy (EIS), and charge–discharge test. The composite shows a high specific capacitance up to 338 F g −1 .

Charge driven metal-insulator transitions in LaMnO3|SrTiO3 (111) superlattices

KAUST Repository

Cossu, Fabrizio; Tahini, Hassan Ali; Singh, Nirpendra; Schwingenschlö gl, Udo

2017-01-01

Interfaces of perovskite oxides, due to the strong interplay between the lattice, charge and spin degrees of freedom, can host various phase transitions, which is particularly interesting if these transitions can be tuned by external fields. Recently, ferromagnetism was found together with a seemingly insulating state in superlattices of manganites and titanates. We therefore study the (111) oriented $(\\text{LaMnO}_3)_{6-x}\\vert(\\text{SrTiO}_3)_{6+x}~(x = -0.5, 0, 0.5)$ superlattices by means of ab initio calculations, predicting a ferromagnetic ground state due to double exchange in all cases. We shed light on the ferromagnetic coupling in the LaMnO3 region and at the interfaces. The insulating states of specific superlattices can be understood on the basis of Jahn-Teller modes and electron/hole doping.

Charge driven metal-insulator transitions in LaMnO3|SrTiO3 (111) superlattices

KAUST Repository

Cossu, Fabrizio

2017-08-01

Interfaces of perovskite oxides, due to the strong interplay between the lattice, charge and spin degrees of freedom, can host various phase transitions, which is particularly interesting if these transitions can be tuned by external fields. Recently, ferromagnetism was found together with a seemingly insulating state in superlattices of manganites and titanates. We therefore study the (111) oriented $(\\\\text{LaMnO}_3)_{6-x}\\\\vert(\\\\text{SrTiO}_3)_{6+x}~(x = -0.5, 0, 0.5)$ superlattices by means of ab initio calculations, predicting a ferromagnetic ground state due to double exchange in all cases. We shed light on the ferromagnetic coupling in the LaMnO3 region and at the interfaces. The insulating states of specific superlattices can be understood on the basis of Jahn-Teller modes and electron/hole doping.

A Structural Molar Volume Model for Oxide Melts Part I: Li2O-Na2O-K2O-MgO-CaO-MnO-PbO-Al2O3-SiO2 Melts—Binary Systems

Science.gov (United States)

Thibodeau, Eric; Gheribi, Aimen E.; Jung, In-Ho

2016-04-01

A structural molar volume model was developed to accurately reproduce the molar volume of molten oxides. As the non-linearity of molar volume is related to the change in structure of molten oxides, the silicate tetrahedral Q-species, calculated from the modified quasichemical model with an optimized thermodynamic database, were used as basic structural units in the present model. Experimental molar volume data for unary and binary melts in the Li2O-Na2O-K2O-MgO-CaO-MnO-PbO-Al2O3-SiO2 system were critically evaluated. The molar volumes of unary oxide components and binary Q-species, which are model parameters of the present structural model, were determined to accurately reproduce the experimental data across the entire binary composition in a wide range of temperatures. The non-linear behavior of molar volume and thermal expansivity of binary melt depending on SiO2 content are well reproduced by the present model.

On the novel double perovskites A2Fe(Mn0.5W0.5)O6 (A= Ca, Sr, Ba). Structural evolution and magnetism from neutron diffraction data

Science.gov (United States)

García-Ramos, Crisanto A.; Larrégola, Sebastián; Retuerto, María; Fernández-Díaz, María Teresa; Krezhov, Kiril; Alonso, José Antonio

2018-06-01

New A2Fe(Mn0.5W0.5)O6 (A = Ca, Sr, Ba) double perovskite oxides have been prepared by ceramic techniques. X-ray diffraction (XRD) complemented with neutron powder diffraction (NPD) indicate a structural evolution from monoclinic (space group P21/n) for A = Ca to cubic (Fm-3m) for A = Sr and finally to hexagonal (P63/mmc) for A = Ba as the perovskite tolerance factor increases with the A2+ ionic size. The three oxides present different tilting schemes of the FeO6 and (Mn,W)O6 octahedra. NPD data also show evidence in all cases of a considerable anti-site disordering, involving the partial occupancy of Fe positions by Mn atoms, and vice-versa. Magnetic susceptibility data show magnetic transitions below 50 K characterized by a strong irreversibility between ZFC and FC susceptibility curves. The A = Ca perovskite shows a G-type magnetic structure, with weak ordered magnetic moments due to the mentioned antisite disordering. Interesting magnetostrictive effects are observed for the Sr perovskite below 10 K.

Spinel LiMn 2 O 4 Nanorods as Lithium Ion Battery Cathodes

KAUST Repository

Kim, Do Kyung

2008-11-12

Spinel LiMn 2O 4 is a low-cost, environmentally friendly, and highly abundant material for Li-ion battery cathodes. Here, we report the hydrothermal synthesis of single-crystalline β-MnO 2 nanorods and their chemical conversion into free-standing single-crystalline LiMn 2O 4 nanorods using a simple solid-state reaction. The LiMn 2O 4 nanorods have an average diameter of 130 nm and length of 1.2 μm. Galvanostatic battery testing showed that LiMn 2O 4 nanorods have a high charge storage capacity at high power rates compared with commercially available powders. More than 85% of the initial charge storage capacity was maintained for over 100 cycles. The structural transformation studies showed that the Li ions intercalated into the cubic phase of the LiMn 2O 4 with a small change of lattice parameter, followed by the coexistence of two nearly identical cubic phases in the potential range of 3.5 to 4.3V. © 2008 American Chemical Society.

Spinel LiMn 2 O 4 Nanorods as Lithium Ion Battery Cathodes

KAUST Repository

Kim, Do Kyung; Muralidharan, P.; Lee, Hyun-Wook; Ruffo, Riccardo; Yang, Yuan; Chan, Candace K.; Peng, Hailin; Huggins, Robert A.; Cui, Yi

2008-01-01

Spinel LiMn 2O 4 is a low-cost, environmentally friendly, and highly abundant material for Li-ion battery cathodes. Here, we report the hydrothermal synthesis of single-crystalline β-MnO 2 nanorods and their chemical conversion into free-standing single-crystalline LiMn 2O 4 nanorods using a simple solid-state reaction. The LiMn 2O 4 nanorods have an average diameter of 130 nm and length of 1.2 μm. Galvanostatic battery testing showed that LiMn 2O 4 nanorods have a high charge storage capacity at high power rates compared with commercially available powders. More than 85% of the initial charge storage capacity was maintained for over 100 cycles. The structural transformation studies showed that the Li ions intercalated into the cubic phase of the LiMn 2O 4 with a small change of lattice parameter, followed by the coexistence of two nearly identical cubic phases in the potential range of 3.5 to 4.3V. © 2008 American Chemical Society.

Enhanced electrochemical performance of Ti substituted P2-Na2/3Ni1/4Mn3/4O2 cathode material for sodium ion batteries

International Nuclear Information System (INIS)

Zhao, Wenwen; Tanaka, Akinobu; Momosaki, Kyoko; Yamamoto, Shinji; Zhang, Fabi; Guo, Qixin; Noguchi, Hideyuki

2015-01-01

Highlights: • Ti substituted P2-Na 2/3 Ni 1/4 Mn 3/4 O 2 cathode was synthesized. • Structural and electrochemical properties of Na 2/3 Ni 1/4 Ti x Mn 3/4-x O 2 were studied. • Ti substituted cathodes exhibit enhanced cycleability and rate performance. • Ti substitution has impact on stabilizing the P2 structure during cycling. -- Abstract: Ti substituted P2-Na 2/3 Ni 1/4 Mn 3/4 O 2 cathode material with the composition of Na 2/3 Ni 1/4 Ti x Mn 3/4-x O 2 has been synthesized by solid state method. The influence of Ti substitution for Mn on the structure, morphology and electrochemical performances of P2-Na 2/3 Ni 1/4 Mn 3/4 O 2 has been investigated. X-ray diffraction (XRD) results of Ti substituted sample show that they exhibit same diffraction patterns as those of pristine P2-Na 2/3 Ni 1/4 Mn 3/4 O 2 . Progressive change in the lattice parameters of Ti substituted samples suggests that Mn was successfully substituted by Ti. In contrast to P2-Na 2/3 Ni 1/4 Mn 3/4 O 2 which shows step-type voltage profiles, Ti substituted samples show sloping voltage profiles. Drastic capacity fade occurred for P2-Na 2/3 Ni 1/4 Mn 3/4 O 2 cathode, while Ti substituted cathodes still show high capacity retention over 92% after 25 cycles at the voltage range of 2.0-4.3 V. Even cycled at high upper cut-off voltage of 4.5 V, Ti=0.20 sample can deliver a reversible capacity of 140 mAhg −1 with the capacity retention over 92% after 25 cycles. Furthermore, Ti substituted cathodes exhibit enhanced rate capability over pristine P2-Na 2/3 Ni 1/4 Mn 3/4 O 2 cathode. Comparison of the Ex-situ XRD results of the cycled P2-Na 2/3 Ni 1/4 Mn 3/4 O 2 and its substituted samples provides evidence that the improved electrochemical performance of Ti substituted cathodes would be attributed to the stabilization of the structure with Ti substitution

Facile Synthesis of Porous ZnMnO3 Spherulites with a High Lithium Storage Capability

International Nuclear Information System (INIS)

Liu, Xinru; Zhao, Chenhao; Zhang, He; Shen, Qiang

2015-01-01

Graphical abstract: Porous ZnMnO 3 spherulites show an enhanced high lithium storage capability when potentially applied as a lithium-ion battery anode for the first time. - Highlights: • Composite Zn 0.5 Mn 0.5 CO 3 microspheres are facilely co-precipitated. • Porous ZnMnO 3 spherulites can be used as a lithium-ion battery anode. • Porous ZnMnO 3 spherulites show superior electrochemical properties. • A synergistic effect of Zn-O and Mn-O components in cubic ZnMnO 3 is proposed. - Abstract: In this paper, pure-phase ZnMnO 3 porous spherulites are uniquely synthesized through the thermal decomposition of Zn-Mn binary carbonate precursors facilely co-precipitated at room temperature, possessing an average diameter of 1.2 ± 0.3 μm and acquiring porosity with a specific surface area of 24.3 m 2 g −1 . When tentatively applied as lithium-ion battery anodes for the first time, these porous spherulites deliver an initial discharge capacity of 1294 mAh g −1 at 500 mA g −1 and retain an reversible value of 879 mAh g −1 over 150 cycles. By comparison, the equimolar powder mixture of nano-sized ZnO and MnO 2 synergistically shows a higher lithium storage capability than the two unary transition metal oxides, but lower than anode material ZnMnO 3 . Aside from its nanostructured characteristics, an inner atomic synergistic effect within the cubic lattices may account for the superior electrochemical performance of well-crystallized ZnMnO 3

Preparation and electrical properties of (1 - x)Sr(Fe1/2Nb1/2)O3-xPbTiO3 ferroelectric ceramics

International Nuclear Information System (INIS)

Fang Bijun; Cheng Zhenquan; Sun Renbing; Ding Chenlu

2009-01-01

(1 - x)Sr(Fe 1/2 Nb 1/2 )O 3 -xPbTiO 3 (SFN-PT) ferroelectric ceramics were prepared by conventional solid-state reaction method via the wolframite precursor route. X-ray diffraction (XRD) measurement confirmed that the synthesized SFN-PT ceramics are of pure perovskite structure. With the increase of the concentration of PbTiO 3 (PT), crystal structure of the sintered SFN-PT ceramics changes from rhombohedral phase to tetragonal phase. Dielectric response of the SFN-PT ceramics changes from diffused and broad dielectric peaks to relatively sharp ones accompanied by the increase of the temperature of dielectric maximum (T m ). Small content of MnO 2 or Li 2 CO 3 doping can greatly decrease the dielectric loss of the SFN-PT ceramics, furthermore, the abnormal increase of dielectric constant and loss tangent in the paraelectric phase is suppressed accordingly. Typical P-E hysteresis loops are observed in the SFN-PT ceramics, however, the saturate polarization (P s ) is small. MnO 2 or Li 2 CO 3 doping can greatly decrease the coercive field (E c ) of the SFN-PT ceramics accompanied by large increase of P s . Piezoelectric constant d 33 of the SFN-PT ceramics is small except for SFN30-PT70 ceramics, which reaches 22pC/N

The effect of MgO doping on the structure, magnetic and magnetotransport properties of La0.8Sr0.2MnO3 composite

International Nuclear Information System (INIS)

Aezami, A.; Eshraghi, M.; Kameli, P.; Salamati, H.

2007-01-01

Full text: The recent observation of anomalously Colossal Magnetoresistance (CMR) in the La 1-x A x MnO 3 (A = Sr, Ca, Ba or vacancies) system, has spurred renewed interest in studying these doped perovskite manganites. The properties of these materials are explained by double exchange theory of Zener and electron lattice interaction. However, the intrinsic CMR effect in the perovskite manganites is found on a magnetic field scale of several teslas and a narrow temperature range. It was found that, the presence of grain boundaries in polycrystalline samples leads to a large Low Field Magnetoresistance (LFMR) effect over a wide temperature range below the Curie temperature Tc. To achieve LFMR, different properties are considered. One of them is mixing of these CMR materials with secondary insulator phases. In this work, La 0.8 Sr 0.2 MnO 3 (LSMO) was selected as matrix material and MgO as a dopant. The La 0.8 Sr 0.2 MnO 3/x MgO samples with x= 0, 1, 2, 3, 5 and 7.5 Wt.% were prepared by Solid State Reaction method. Studies show that most part of the MgO goes into the perovskite lattice and Mg substituted Mn in LSMO and remainder segregates as a separate phase at the grain boundaries. Results also show that the value of MR decreases for all the doping levels. It seems that, due to the almost same ionic radii of Mg2+ and Mn2+, and at the higher sintering temperature, Mg2+ mostly replaced Mn3+ and weakens double exchange interaction. This speculation has been confirmed by XRD, SEM, susceptibility, resistivity and magnetoresistance analysis and measurements. (authors)

Crystal growth and magnetic properties of spinel (Co,Mn)3O4

Science.gov (United States)

Kang, Sun Hee; Kim, Ill Won; Jeong, Yoon Hee; Koo, Tae Yeong

2012-04-01

Single crystals of cubic and tetragonal spinel Co3-xMnxO4 (x=1.0 and 1.5) were successfully grown using a solvent evaporation method with PbF2 flux. Single crystals in octahedral shape with a size of about 4 mm on edge were obtained from 100 cm3 Pt crucibles. Ferrimagnetic transitions were detected at 170 K and 160 K from the measurements of temperature dependent magnetization and specific heat of Co2MnO4 and Co1.5Mn1.5O4, respectively. Low temperature field-dependent magnetization curves give a strong indication of the non-collinear spin structure, offering an insulating Co3-xMnxO4 system as a possible candidate for examining the multiferroicity.

Phase transition in metastable perovskite Pb(AlNb)0,5O3

International Nuclear Information System (INIS)

Zhabko, T.E.; Olekhnovich, N.M.; Shilin, A.D.

1987-01-01

Dielectric properties of metastable perovskite Pb(AlNb) 0.5 O 3 and X-ray temperature investigations of both perovskite and pyrochlore modifications of the given compound are studied. Samples with the perovskite structure are prepared from the pyrochlorephase at 4-5 GPa pressure and 1170-1270 K. Ferroelectric phase transition is shown to occur in the metastable perovskite phase Pb(AlNb) 0.5 O 3 at 170 K

Mixed valent perovskites Ba/sub 3/B/sup 3 +/Ru/sub 2/sup(4. 5+)O/sub 9/. Catalytic activity of perovskite oxides with noble metals

Energy Technology Data Exchange (ETDEWEB)

Treiber, U; Kemmler-Sack, S; Ehmann, A; Schaller, H U; Duerrschmidt, E; Thumm, I; Bader, H [Tuebingen Univ. (Germany, F.R.). Lehrstuhl fuer Anorganische Chemie 2

1981-10-01

The black compounds Ba/sub 3/B/sup 3 +/Ru/sub 2/O/sub 9/ crystallize with B/sup 3 +/ = La, Nd, Sm, Eu, Gd, Dy, Ho, Er, Tm, Yb, and Y in a hexagonal BaTiO/sub 3/ structure (6L, sequence (hcc)/sub 2/) with an ordered distribution (1:2 order) of B/sup 3 +/ and ruthenium (BO/sub 6/ single octahedra; Ru/sub 2/O/sub 9/ double groups). The mean oxidation state of ruthenium is about +4.5. The properties are compared with those of other isotypic stacking polytypes Ba/sub 3/B/sup 3 +/M/sub 2/sup(4.5)O/sub 9/ (M/sub 2/ = IrRu, Ir/sub 2/, PtRu) and Ba/sub 3/B/sup 2 +/M/sub 2//sup 5 +/O/sub 9/ (M = Ru, Ir). The results of activity tests concerning the efficiency of perovskite oxides with noble metals in respect of the oxidation of CO or CHsub(x) and the reduction of NOsub(x) are reported.

Mixed valent noble metal perovskites Ba/sub 3/B/sup 3 +/Pt/sub x/Ru/sub 2-x//sup 4. 5+/O/sub 9/

Energy Technology Data Exchange (ETDEWEB)

Moessner, B; Kemmler-Sack, S; Ehmann, A [Tuebingen Univ. (Germany, F.R.). Lehrstuhl fuer Anorganische Chemie 2

1982-04-01

In perovskites of type Ba/sub 3/B/sup 3 +/Pt/sub x/Ru/sub 2-x//sup 4.5+/O/sub 9/ the ruthenium can be substituted by platinum up to x = 1. The compounds crystallize in a 1:2 ordered hexagonal BaTiO/sub 3/ structure (sequence (hcc)/sub 2/) with face connected Pt/sub x/Ru/sub 2-x/O/sub 9/ double octahedra. Intensity calculations on powder data of Ba/sub 3/YPt/sub 1/2/Ru/sub 3/2/O/sub 9/ (space group P6/sub 3//mmc) gave a refined, intensity related R' value of 8.6%. The vibrational spectroscopic and catalytic properties are reported.

Study of the Thermodynamics of Chromium(III) and Chromium(VI) Binding to Fe3O4 and MnFe2O4 nanoparticles

Science.gov (United States)

Luther, Steven; Brogfeld, Nathan; Kim, Jisoo; Parsons, J.G.

2013-01-01

Removal of chromium(III) or (VI) from aqueous solution was achieved using Fe3O4, and MnFe2O4 nanomaterials. The nanomaterials were synthesized using a precipitation method and characterized using XRD. The size of the nanomaterials was determined to be 22.4 ± 0.9 nm (Fe3O4) and 15.5 ± 0.5 nm (MnFe2O4). The optimal binding pH for chromium(III) and chromium(VI) were pH 6 and pH 3. Isotherm studies were performed, under light and dark conditions, to determine the capacity of the nanomaterials. The capacities for the light studies with MnFe2O4 and Fe3O4 were determined to be 7.189 and 10.63 mg/g, respectively, for chromium(III). The capacities for the light studies with MnFe2O4 and Fe3O4 were 3.21 and 3.46 mg/g, respectively, for chromium(VI). Under dark reaction conditions the binding of chromium(III) to the MnFe2O4 and Fe3O4 nanomaterials were 5.74 and 15.9 mg/g, respectively. The binding capacity for the binding of chromium(VI) to MnFe2O4 and Fe3O4 under dark reaction conditions were 3.87 and 8.54 mg/g, respectively. The thermodynamics for the reactions showed negative ΔG values, and positive ΔH values. The ΔS values were positive for the binding of chromium(III) and for chromium(VI) binding under dark reaction conditions. The ΔS values for chromium(VI) binding under the light reaction conditions were determined to be negative. PMID:23558081

Raman spectra of MgSiO3 . 10% Al2O3-perovskite at various pressures and temperatures

International Nuclear Information System (INIS)

Liu Lingun; Irifune, T.

1995-01-01

Variations of Raman spectra of MgSiO 3 . 10% Al 2 O 3 -perovskite were investigated up to about 270 kbar at room temperature and in the range 108-425 K at atmospheric pressure. Like MgSiO 3 -perovskite, the Raman frequencies of MgSiO 3 . 10% Al 2 O 3 -perovskite increase nonlinearly with increasing pressure and decrease linearly with increasing temperature within the experimental uncertainties and the range investigated. A comparison of these data with those of MgSiO 3 -perovskite suggests that MgSiO 3 . 10% Al 2 O 3 -perovskite is slightly more compressible than MgSiO 3 -perovskite, and that the volume thermal expansion for MgSiO 3 . 10% Al 2 O 3 -perovskite is also slightly greater than that for MgSiO 3 -perovskite. (orig.)

Preparation of ErMnO3 by Sol-gel Method and its Photocatalytic Activity for Removal of Methyl Orange from Water

Science.gov (United States)

Xie, X. Y.; Yang, J. N.; Yu, L. L.; Min, J. Y.; Sun, D. D.; Tang, P. S.; Chen, H. F.

2018-05-01

The single phase perovskite ErMnO3 was synthesized using Er(NO3)3, manganese acetate, citric acid and urea by a facile sol-gel method. The gel of ErMnO3 precursor was kept for 36 hours in 100 °C oven to get the xerogel. Then, the xerogel was calcined at 800 °C for 12 hours in muffle furnace to prepare single phase ErMnO3. The prepared sample was characterized by thermogravimetry differential scanning calorimetry (TG-DSC), X-ray diffraction (XRD), scanning electron microscopy (SEM) and Fourier transform infrared spectroscopy (FT-IR). Under ultraviolet light, the photocatalytic activity of ErMnO3 was studied with methyl orange of 20 mg/L as the simulated sewage. The results show that the ErMnO3 sample particle size distribution is relatively uniform, the average grain size is mainly around 100 nm. The photocatalytic experiment demonstrates that ErMnO3 is highly photocatalytic activity for removal of methyl orange from water. When methyl orange of 20 mg/L is degraded for 120 min in the presence of ErMnO3, the degradation rate of methyl orange can reach about 95%. The degradation of methyl orange accords with first order kinetic model in presence ErMnO3 sample, and the apparent rate constant is 0.022 min-1.

Effects of MnO{sub 2} doping on structure, dielectric and piezoelectric properties of 0.825NaNbO{sub 3}-0.175Ba{sub 0.6}(Bi{sub 0.5}K{sub 0.5}){sub 0.4}TiO{sub 3} lead-free ceramics

Energy Technology Data Exchange (ETDEWEB)

Fan, Ximing; Lin, Dunmin; Zheng, Qiaoji; Sun, Hailing; Wan, Yang; Wu, Xiaochun [College of Chemistry and Materials Science, and Visual Computing and Virtual Reality Key Laboratory of Sichuan Province, Sichuan Normal University, Chengdu 610066 (China); Wu, Lang [State Key Laboratory Cultivation Base for Nonmetal Composites and Functional Materials, Southwest University of Science and Technology, Mianyang 621010 (China)

2012-12-15

Lead-free ceramics 0.825NaNbO{sub 3}-0.175Ba{sub 0.6}(Bi{sub 0.5}K{sub 0.5}){sub 0.4}TiO{sub 3} + xmol% MnO{sub 2} were prepared by an ordinary sintering technique and the effects of MnO{sub 2} doping on the structure, dielectric, and piezoelectric properties of the ceramics were studied. The ceramics with perovskite structure are transformed from tetragonal to pseudocubic phases by increasing the doping level of MnO{sub 2}. After the addition of MnO{sub 2}, the Curie temperature T{sub C} of the ceramics decreases and the ferroelectric-paraelectric phase transition at T{sub C} becomes more diffusive. Because of the donor and acceptor doping effects of Mn ions simultaneously, the piezoelectric constant d{sub 33}, electromechanical coupling coefficient k{sub p}, relative permittivity {epsilon}{sub r}, and mechanical quality factor Q{sub m} are enhanced considerably after the addition of 1 mol% MnO{sub 2}. The ceramic with 1 mol% MnO{sub 2} doping possesses the optimum piezoelectricity (d{sub 33} = 131 pC/N and k{sub p} = 21.8%) and relatively high Q{sub m} = 627. (Copyright copyright 2012 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

Hyperfine interactions studies in perovskite oxides of the type LaMO3 (M = Fe, Cr, Mn and Co)