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At least 1,351 records · Page 75

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DOE OSTI2018

Electron backscatter diffraction helps direct calculation of magnetocrystalline anisotropy energy in API 5L steels

Highlights: • Experimental evidence of the capability of EBSD to accurately estimate MAE of API 5L steels. • MAE can be calculated directly from raw EBSD data for reduced sample sizes. • Number of grains sufficient to estimate MAE from EBSD is in the order of several hundreds. • The use of equivalent orientations increases drastically the accuracy of MAE estimations. • EBSD helps explain origin of the observed correlation between MAE and Barkhausen noise. - Abstract: This paper shows evidence of the capability of electron backscatter diffraction (EBSD) to accurately estimate the magnetocrystalline anisotropy energy (MAE) of API 5L steels. The crystallographic texture of five circular steel samples was characterized by X-ray global texture and EBSD microtexture measurements. The average MAE of each one of these samples was estimated from the set of individual grain orientations obtained from orientation maps measured by EBSD. The angular dependence of EBSD-derived MAE was compared with predictions made from X-ray texture and Barkhausen noise (BHN) measurements. The average MAE determined from the EBSD data is in good agreement with the predictions made from X-ray and BHN measurements for all the studied samples. This agreement can be explained by the fact that the number of grains used to predict the average MAE from the EBSD results was statistically sufficient to reproduce the MAE predicted by the other two methods. The EBSD measurement strategy for the accurate MAE estimation was established in terms of parameters such as the number of individual grain orientations to be measured, the sample's texture acuity and grain size, the use of equivalent orientations given by the statistical orthorhombic symmetry of the studied samples, and different measurement planes.

36 MATERIALS SCIENCE↗

DOE OSTI2018

Secondary recrystallization behavior in strip-cast grain-oriented silicon steel processed by isothermal secondary annealing

Highlights: • Abnormal grain growth was successfully developed after annealing at 1025 °C for 15 min. • The formation mechanism of the Goss and {110}<227> secondary grains was elucidated. • Retention of matrix grain colonies in the interior or at the grain boundaries of secondary grains was explained. - Abstract: The primary annealed sheets of strip-cast grain-oriented silicon steel were isothermally secondary annealed for 15 min under 100% H{sub 2} atmosphere. The microstructure and crystallographic orientation at different annealing temperatures were characterized and the secondary recrystallization behavior was elucidated. It was observed that relatively complete abnormal grain growth occurred at 1025 °C. Incomplete abnormal grain growth developed when the temperature was lower than 1025 °C, and normal grain growth occurred when the temperature was higher than 1025 °C. During the abnormal grain growth, both of the Goss and {110}<227> grains developed because of the rapid decrease of the inhibiting force and the limited annealing time. Considering the high energy boundary (HE), coincidence site lattice boundary (CSL) and solid-state wetting (SSW) models for abnormal grain growth, the first one explained the development of the Goss and {110}<227> grains. Another result was that several matrix grain colonies were observed in the interior or at the boundaries of secondary grains after abnormal grain growth. The grains at the periphery of these colonies showed a large fraction of high energy boundaries (20–45° misorientation) with the surrounding secondary grain and similar grain size with the unconsumed matrix grains. Therefore, these colonies were expected to be consumed by prolonging the annealing time and thus the limited annealing time was responsible for their occurrence. A possible explanation for the dominated high energy boundaries instead of low energy boundaries at the periphery of these colonies was proposed. All of these behaviors promoted the understanding of abnormal grain growth.

36 MATERIALS SCIENCE↗

DOE OSTI2018

Characteristic orientation relationships in nanoscale Al-Al2Cu Eutectic

Highlights: • Nano-scale lamellar Al-Al{sub 2}Cu eutectic was synthesized by laser surface remelting. • Orientation relationship (OR) is {211}{sub Al2Cu}||{111}{sub Al} and <120>{sub Al2Cu}||<110>{sub Al.} • The OR has two variants, I has (001){sub Al2Cu}||{001}{sub Al} and II has (001){sub Al2Cu}||{111}{sub Al.} • Variant I is associated with low energy interfaces. - Abstract: A fully lamellar Al-Al{sub 2}Cu eutectic comprising alternate nano-scale α-Al and θ-Al{sub 2}Cu phases was synthesized through laser surface remelting of a cast Al-32.7 wt% Cu alloy. The orientation relationship between α-Al and θ-Al{sub 2}Cu phases was investigated from Kikuchi patterns obtained using electron backscattered diffraction (EBSD) and t-EBSD techniques. The characteristic orientation relationship (OR), {211}{sub Al2Cu}||{111}{sub Al} and <120>{sub Al2Cu}||<110>{sub Al}, was observed independent of interlamellar spacing. This OR has two variants where, besides the two parallel planes, the variant I exhibits (001){sub Al2Cu}||{001}{sub Al} and the variant II exhibits (001){sub Al2Cu}||{111}{sub Al}. Variant I prevails over variant II in laser-processed α-Al and θ-Al{sub 2}Cu nano-laminates, and atomistic modeling indicates that this is due to the low energy interfaces associated with variant I, i.e., {211}{sub Al2Cu}||{111}{sub Al} or (001){sub Al2Cu}||{001}{sub Al}. A comprehensive understanding of the crystallographic orientation relationships between two phases may help predict or explain the active slip systems in fine-scale Al-Al{sub 2}Cu eutectic and other cubic-tetragonal two-phase materials.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

DOE OSTI2018

Solidification pattern, microstructure and texture development in Laser Powder Bed Fusion (LPBF) of Al10SiMg alloy

Highlights: • The complex solidification pattern during Laser Powder Bed Fusion of Al10SiMg alloy is explained. • The evolution of α-Al cellular network, grain structure and texture development is characterized. • The grain structure is shown to be columnar throughout the printed sample • The grains’ orientation align with that of the α-Al cells. • The size evolution of α-Al cells and grains within the scan tracks follow opposite patterns. • Utilizing of a 67° hatch angle enhances densification and promotes a more isotropically developed texture across the build. - Abstract: A comprehensive analysis of solidification patterns and microstructural development is presented for an Al10SiMg sample produced by Laser Powder Bed Fusion (LPBF). Utilizing a novel scanning strategy that involves counter-clockwise rotation of the scan vector by 67° upon completion of each layer, a relatively randomized cusp-like pattern of protruding/overlapping scan tracks has been produced along the build direction. We show that such a distribution of scan tracks, as well as enhancing densification during LPBF, reduces the overall crystallographic texture in the sample, as opposed to those normally achieved by commonly-used bidirectional or island-based scanning regimes with 90° rotation. It is shown that, under directional solidification conditions present in LPBF, the grain structure is strictly columnar throughout the sample and that the grains' orientation aligns well with that of the α-Al cells. The size evolution of cells and grains within the melt pools, however, is shown to follow opposite patterns. The cells'/grains' size distribution and texture in the sample are explained via use of analytical models of cellular solidification as well as the overall heat flow direction and local solidification conditions in relation to the LPBF processing conditions. Such a knowledge of the mechanisms upon which microstructural features evolve throughout a complex solidification process is critical for process optimization and control of mechanical properties in LPBF.

36 MATERIALS SCIENCE↗

DOE OSTI2012

Electrical conductivity studies of Bi{sub 2}O{sub 3}-Li{sub 2}O-ZnO-B{sub 2}O{sub 3} glasses

Highlights: Black-Right-Pointing-Pointer Ac conductivity measurements and its analysis has been performed on Bi{sub 2}O{sub 3}-Li{sub 2}O-ZnO-B{sub 2}O{sub 3} glasses in the temperature range 30-300 Degree-Sign C and a frequency range of 100 Hz to 1 MHz. Black-Right-Pointing-Pointer The dc conductivity increased and the activation energy decreased with lithium content. Black-Right-Pointing-Pointer The frequency dependent conductivity has been analyzed employing conductivity and modulus formalisms. Black-Right-Pointing-Pointer The onset of conductivity relaxation shifts towards higher frequencies with temperature. Black-Right-Pointing-Pointer The Almond-West conductivity formalism is used to explain the scaling behavior, and the relaxation mechanism is independent of temperature. -- Abstract: Ac conductivity measurements and its analysis has been performed on xBi{sub 2}O{sub 3}-(65-x)Li{sub 2}O-20ZnO-15B{sub 2}O{sub 3} (0 {<=} x {<=} 20) glasses in the temperature range 30-300 Degree-Sign C and a frequency range of 100 Hz to 1 MHz. The dc conductivity increased and the activation energy decreased with lithium content. The frequency dependent conductivity has been analyzed employing conductivity and modulus formalisms. The onset of conductivity relaxation shifts towards higher frequencies with temperature. The Almond-West conductivity formalism is used to explain the scaling behavior, and the relaxation mechanism is independent of temperature.

36 MATERIALS SCIENCE↗

DOE OSTI2012

Titanophosphate glasses as lithium-free nonsilicate pH-responsive glasses—Compatibility between pH responsivity and self-cleaning properties

Highlights: ► Ti{sup 3+}-containing TP glasses are lithium-free nonsilicate pH-responsive ones. ► TP glasses with a large amount of Ti{sup 3+} ions show good pH responsivity. ► TP glasses with pH responsivity and self-cleaning properties are obtained. ► pH response of TP glasses is explained by phase boundary potential model. -- Abstract: Lithium silicate-based glasses have been widely used as commercially available pH glass electrodes. It was revealed that Ti{sup 3+}-containing titanophosphate (TiO{sub 2}–P{sub 2}O{sub 5}, TP) glasses are pH-responsive as lithium-free nonsilicate glasses for the first time. The absorption coefficient at 532 nm, α{sub 532} as a measure of Ti{sup 3+} content in TP glasses increased with increasing melting temperature. TP glasses with large α{sub 532} tended to give low electrical resistivity, high pH sensitivity and the short pH response time. The first post-annealing (oxidation of Ti{sup 3+}) of TP glasses at 600–620 °C for 60–240 h resulted in the occurrence of the photo-induced hydrophilicity along with the disappearance of pH responsivity and the increase of electrical resistivity. The second post-annealing (reduction of Ti{sup 4+}) of the first post-annealed TP glasses at 600–620 °C for 48 h under vacuum recovered both pH responsivity and electrical resistivity to the level of the as-prepared TP glasses with maintaining the photo-induced hydrophilicity. Moreover, the second post-annealed TP glasses had photocatalytic activity for methylene blue (MB) comparable to commercially available self-cleaning glass. Thus, TP glasses with the compatibility between pH responsivity and self-cleaning properties were obtained by the sequential post-annealing (oxidation and reduction) of as-prepared glasses. From some circumstantial evidences, pH response of TP glasses was explained in terms of phase boundary potential model related to hopping conduction of electron from Ti{sup 3+} to Ti{sup 4+} via O{sup 2−} ion in TP glasses rather than diffusion potential model.

36 MATERIALS SCIENCE↗

DOE OSTI2012

Modification of the optical properties of ZnO thin films by proton implantation

Highlights: ► Optical properties of proton-implanted ZnO thin film prepared by rf magneton sputtering were studied. ► Increase in the ordinary refractive index after proton implantation was explained by the polarizability. ► A slight decrease in the optical bandgap by proton implantation was identified. -- Abstract: Optical properties of proton-implanted ZnO thin film prepared by radio-frequency (rf) magneton sputtering have been studied, the optical constants being obtained from the reflectance measurements by employing Cauchy–Urbach model. Increase in the ordinary refractive index after proton implantation was explained by that in the polarizability. Besides, a slight increase in the optical band gap by proton implantation was identified and discussed in terms of the hydrogen shallow donors introduced by the proton implantation.

36 MATERIALS SCIENCE↗

DOE OSTI2012

Investigation of nanocrystalline CdS/Si diode using complex impedance spectroscopy

Highlights: ► CdS/n-Si device was fabricated as a heterostructure. ► AFM was used to examine the structure of CdS/n-Si. ► Complex impedance Z′and Z″were calculated. ► AC conductivity was explained by the power law relation. ► CBH model was used to describe the AC conduction mechanism. -- Abstract: CdS/n-Si device was fabricated via depositing CdS thin film onto pre-cleaned n-silicon substrates. The atomic force microscope was used to examine the crystal size of the deposited films and its roughness. The AC conductivity and the real part of complex impedance Z′as a function of frequency at different temperatures were studied. The AC conductivity dependence of the applied frequency was explained on the basis of the power law relation. The bulk resistance has been calculated at different temperatures from the complex impedance Z″. The temperature dependence of capacitance for CdS/n-Si device at different frequencies was also investigated.

36 MATERIALS SCIENCE↗

DOE OSTI2013

Spectroscopic analysis on the basis of Judd–Ofelt theory along [0 0 1] of Er:YVO{sub 4} grown by optical floating zone technique

Highlights: ► Synthesis and solid state reaction for Er:YVO{sub 4} is addressed. ► Single crystal growth by OFZ technique along c [0 0 1] is discussed. ► Differences in crystal morphology along a and c axes are experimentally observed. ► This is explained on the basis of difference in attachment energy. ► Spectroscopic investigations along [0 0 1] are carried out. - Abstract: 1.0 at.% erbium-doped YVO{sub 4} crystals have been grown along [0 0 1] by optical floating zone technique after optimizing the synthesis process. The circular cross-section of the grown crystals is explained on the basis of attachment energy. Using Judd–Ofelt (JO) theory the absorption and emission lines observed in absorption and photoluminescence data along [0 0 1] are characterized. JO intensity parameters as calculated are: Ω{sub 2} = 14.4389 × 10{sup −20} cm{sup 2}, Ω{sub 4} = 2.3320 × 10{sup −20} cm{sup 2} and Ω{sub 6} = 1.7794 × 10{sup −20} cm{sup 2}. For {sup 4}I{sub 13/2} → {sup 4}I{sub 15/2} transition the calculated radiative lifetime and emission cross-section are: 2.59 × 10{sup −20} cm{sup 2} and 2.45 ms, respectively.

36 MATERIALS SCIENCE↗

DOE OSTI2013

Biologically inspired growth of hydroxyapatite crystals on bio-organics-defined scaffolds

Graphical abstract: Petal-like crystals were observed to form on the surface of the BG/COL/ChS scaffolds. Highlights: ► Porous scaffolds were prepared using bioglass, collagen and chondroitin sulfate. ► Highly oriented HA crystals were grown on scaffolds using simulated body fluids ► The microstructure and orientation of HA were explained by molecular configuration. - Abstract: Several bio-organics-defined composite scaffolds were prepared using 58s-bioglass (BG), collagen (Col) and chondroitin sulfate (ChS). These scaffolds possess highly porous structure. X-ray diffraction of these scaffolds strongly indicated that hydroxyapatite (HA) crystals formed on their surfaces in simulated body fluids within 3 d, and similar formation process of crystals could be obtained on BG/Col and BG/Col/ChS scaffolds. The morphology and structure of the crystals were further examined by scanning electron microscopy. The results obtained indicate that an apatite with petal-like structure similar to that found on BG/Col scaffolds can be produced on BG/Col/ChS scaffolds through biomimetic synthesis, while that on BG/ChS scaffolds took place differently. The differences could be explained by self-assembly processes and the different macromolecular configurations of the Col and ChS fibrils which self-assemble spontaneously into their fibers. On the other hand, the bio-organics-defined composites have good cell biocompability. The results may be applicable to develop tailored biomaterials for peculiar bone substitute.

36 MATERIALS SCIENCE↗

DOE OSTI2013

Dielectric relaxation of NdMnO{sub 3} nanoparticles

Graphical abstract: (a) TEM image of particle distribution of NMO. (b) HRTEM image of a single NMO particle under 4,000,000× magnification. (c) SAED pattern of a single NMO nanoparticle. - Highlights: • NdMnO{sub 3} nanoparticles are synthesized by sol–gel process. • TEM micrograph shows a granular characteristic with an average particle size of ∼50 nm. • HRTEM is consistent with the spacing between the (2 0 0) planes of the orthorhombic NdMnO{sub 3}. • Band gap is found to be 4.4 eV. • Cole–Cole model has been used to explain the dielectric relaxation in the material. • The activation energy of the material is found to be ∼0.43 eV. - Abstract: The neodymium manganate (NdMnO{sub 3}) nanoparticles are synthesized by the sol–gel process. The phase formation and particle size of the sample are determined by X-ray diffraction analysis and transmission electron microscopy. The band gap of the material is obtained by UV–visible absorption spectroscopy using Tauc relation. Dielectric properties of the sample have been investigated in the frequency range from 42 Hz to 1 MHz and in the temperature range from 303 K to 573 K. The dielectric relaxation peaks are observed in the frequency dependent dielectric loss spectra. The Cole–Cole model is used to explain the dielectric relaxation mechanism of the material. The complex impedance plane plot confirms the existence of both the grain and grain-boundary contribution to the relaxation. The temperature dependence of both grain and grain-boundary resistances follow the Arrhenius law with the activation energy of 0.427 and 0.431 eV respectively. The frequency-dependent conductivity spectra follow the power law.

36 MATERIALS SCIENCE↗

DOE OSTI2014

Effects of growth parameters on the yield and morphology of Si{sub 3}N{sub 4} microcoils prepared by chemical vapor deposition

Highlights: • CVD method was successfully applied to obtain Si{sub 3}N{sub 4} microcoils in high yield without the presence of catalyst. • The process was systematically investigated through a series of control experiments. • The effects of synthesis parameters on the yield and morphology of Si{sub 3}N{sub 4} microcoils were found. • The growth mechanism of the Si{sub 3}N{sub 4} microcoils could be explained by the different growth rates between the amorphous layer and the crystalline layer. - Abstract: In this study, we provided a reliable chemical vapor deposition (CVD) method to synthesize high-purity Si{sub 3}N{sub 4} microcoils in high yield without the presence of catalyst. The achieved products were characterized by X-ray diffraction, scanning electron microscopy, and transmission electron microscope. The results indicated that the yield and morphology of Si{sub 3}N{sub 4} products were influenced by the synthesis parameters such as reaction temperature, reaction time and gas flow rate. The particular conditions favorable to high yield synthesis of Si{sub 3}N{sub 4} microcoils were obtained through a series of control experiments. Furthermore, the growth of Si{sub 3}N{sub 4} microcoils was supposed to be in accord with vapor-solid (VS) growth process and the different growth rates between the amorphous layer and the crystalline layer were used to explain the formation of the coil geometry.

36 MATERIALS SCIENCE↗

DOE OSTI2014

Synthesis and electrochemical properties of NiO nanospindles

Graphical abstract: NiO nanospindles with a different electrochemical activity as compared to those previous reports were synthesized via an agglomeration–dissolution–recrystallization growth process without the addition of any surfactant. - Highlights: • NiO nanospindles were synthesized without the addition of any surfactant. • The agglomeration–dissolution–recrystallization growth process was used to explain the precursors’ formation process of the spindle-like NiO. • As-obtained spindle-like NiO showed a different electrochemical activity as compared to those previous reports. - Abstract: NiO nanospindles were successfully synthesized via a hydrothermal and post-treatment method. The as-synthesized nanospindles were about several hundred nanometers in width and about one micrometer in length. X-ray diffraction (XRD) analysis revealed that the spindle-like structure was cubic NiO phase crystalline. Scanning electron microscopy (SEM) and high-resolution transmission electron microscopy (HRTEM) analysis indicated that these NiO nanospindles were of single crystal nature. On the basis of time-dependent experiments, a possible agglomeration–dissolution–recrystallization growth process was proposed to explain the formation process of the spindle-like precursors. The cyclic voltammetry (CV) measurement showed that the as-prepared spindle-like NiO exhibited a pseudo-capacitance behavior.

36 MATERIALS SCIENCE↗

DOE OSTI2014

Preparation of novel layer-stack hexagonal CdO micro-rods by a pre-oxidation and subsequent evaporation process

Graphical abstract: Layer-stack hexagonal cadmium oxide (CdO) micro-rods were prepared. - Highlights: • Novel hexagonal layer-stack structure CdO micro-rods were synthesized by a thermal evaporation method. • The pre-oxidation, vapor pressure and substrate nature play a key role on the formation of CdO rods. • The formation mechanism of CdO micro-rods was explained. - Abstract: Novel layer-stack hexagonal cadmium oxide (CdO) micro-rods were prepared by pre-oxidizing Cd granules and subsequent thermal oxidation under normal atmospheric pressure. X-ray diffraction (XRD) and scanning electron microscopy (SEM) were performed to characterize the phase structure and microstructure. The pre-oxidation process, vapor pressure and substrate nature were the key factors for the formation of CdO micro-rods. The diameter of micro-rod and surface rough increased with increasing of thermal evaporation temperature, the length of micro-rod increased with the increasing of evaporation time. The formation of hexagonal layer-stack structure was explained by a vapor–solid mechanism.

36 MATERIALS SCIENCE↗

DOE OSTI2015

A facile and scalable route to nano-crystallized kesterite Cu{sub 2}ZnSnS{sub 4} fibers via electrospinning/sulfurization

Detailed characterization of the microstructure and its properties have been done on the nanocrystallized CZTS nanofibers fabricated via electrospinning following sulfurization. The fiber growth mechanism is proposed to explain the spontaneous reaction and crystallization of CZTS, as confirmed by the thermodynamic calculations. - Abstract: In this work, we report facile route to quaternary kesterite Cu{sub 2}ZnSnS{sub 4} (CZTS) microfibers through electrospinning method. Precursor fibers are electrospun from the solution composed of Cu(CH{sub 3}COO){sub 2}, Zn(CH{sub 3}COO){sub 2{sup ,}} and SnCl{sub 4} as the solutes, ethylene glycol methyl ether as the solvent, and polyvinylpyrrolidone (PVP) as the plasticizer. CZTS fibers are obtained after annealing at 773 K for 40 min in a sulfur ambient. Characterization including scanning electron microscopy (SEM), energy-dispersive spectroscopy (EDS), X-ray diffraction (XRD), transmission electron microscopy (TEM), X-ray photoelectron spectroscopy (XPS) and Raman spectra, confirm the formation of single-phased, well-crystallized CZTS fibers, with a band gap of about 1.48 eV estimated from the optical absorption curve. In addition, the fiber growth mechanism is proposed to explain the spontaneous reaction and crystallization of CZTS, as confirmed by the thermodynamic calculations.

36 MATERIALS SCIENCE↗

DOE OSTI2016

High temperature transport properties of co-substituted Ca{sub 1−x}Ln{sub x}Mn{sub 1−x}Nb{sub x}O{sub 3} (Ln = Yb, Lu; 0.02 ≤ x ≤ 0.08)

Highlights: • The thermoelectric Ca{sub 1−x}Ln{sub x}Mn{sub 1−x}Nb{sub x}O{sub 3} (Ln = Yb, Lu) perovskite are prepared by solid state reaction. • The high temperature transport properties are explored. • The co-substituted Ca{sub 1−x}Ln{sub x}Mn{sub 1−x}Nb{sub x}O{sub 3} shows non-metal-like temperature dependence of resistivity. • The Seebeck coefficient of Ca{sub 1−x}Ln{sub x}Mn{sub 1−x}Nb{sub x}O{sub 3} exhibits metallic nature. • The puzzling transport phenomenon is originated from oxygen vacancy related defect centres. - Abstract: The co-substituted Ca{sub 1−x}Ln{sub x}Mn{sub 1−x}Nb{sub x}O{sub 3} (Ln = Yb, Lu; 0.02 ≤ x ≤ 0.08) are synthesized by solid-state reaction and the electronic transport properties are investigated. Rietveld refinement confirms the formation of single phase orthorhombic structure with gradual increase of cell parameters with doping level. The electronic transport properties such as Seebeck coefficient and electrical resistivity decrease with increasing the dopant concentration for both the co-substituted compositions. All the compositions of Ca{sub 1−x}Ln{sub x}Mn{sub 1−x}Nb{sub x}O{sub 3} show nonmetal-like temperature dependence of resistivity; whereas metal-like temperature dependence of thermopower. This inconsistency is explained by the formation of oxygen vacancy associated defect centres that originates from partial reduction of Mn{sup 4+} to Mn{sup 3+} due to co-substitution. The defect centres act as extrinsic carriers and cause additional contribution to the entropy of the system, leading to increase of Seebeck coefficient as a function of temperature. The transport mechanism of charge carriers is explained in the framework of Mott’s small polaron hopping mechanism.

36 MATERIALS SCIENCE↗

DOE OSTI2016

Enhancing photovoltaic performance of dye-sensitized solar cells by rare-earth doped oxide of SrAl{sub 2}O{sub 4}:Eu{sup 3+}

Graphical abstract: Current–voltage characteristics of DSSCs based on the photoanodes doping different SrAl{sub 2}O{sub 4}:Eu{sup 3+} and doping 3% SrAl{sub 2}O{sub 4}. - Highlights: • A down-conversion (DC) nanocrystal (SrAl{sub 2}O{sub 4}:Eu{sup 3+}) was synthesized. • The effect of SrAl{sub 2}O{sub 4}:Eu{sup 3+} doped in photoanode in DSSCs was investigated. • SrAl{sub 2}O{sub 4}:Eu{sup 3+} doped in photoanode appeared the better photovoltaic performances. • The dual function of DC and p-type doping effect were explained. - Abstract: SrAl{sub 2}O{sub 4}:Eu{sup 3+} down-conversion (DC) nanocrystals were synthesized by a sol–gel method and then doped in TiO{sub 2} as a photoanode in dye-sensitized solar cells (DSSCs). Differential thermal analysis, fourier transform infrared spectroscopy, X-ray diffraction and Brunauer–Emmet–Teller analysis confirmed the formation of SrAl{sub 2}O{sub 4}:Eu{sup 3+} nanocrystals with diameters of ∼47 nm, pore size of ∼25 nm, sintering temperature of 1300 °C. The photoluminescence and UV–vis absorption spectra of the SrAl{sub 2}O{sub 4}:Eu{sup 3+} revealed a DC from ultraviolet light to visible light which matched the strong absorbing region of the N719 dye. The photoelectric conversion efficiency of the DSSCs with a TiO{sub 2} photoanode doped with 3 wt% SrAl{sub 2}O{sub 4}:Eu{sup 3+} was 20% higher than that with a pure TiO{sub 2} photoanode. This phenomenon could be mainly explained by SrAl{sub 2}O{sub 4}:Eu{sup 3+} nanocrystals’ ability of DC and increased the short-circuit current density. It could be minorly due to the p-type doping effect and slightly improved the open-circuit voltage.

36 MATERIALS SCIENCE↗

DOE OSTI2016

Correlating melting and collapse of charge ordering with magnetic transitions in La{sub 0.5-x}Pr{sub x}Ca{sub 0.5}MnO{sub 3}

Highlights: • Concept of normalized magnetization is introduced to explain relative magnetic transitions. • Coexistence of two magnetic modes is correlated with the magnetic transitions and MIT. • Field induced melting and collapse of charge ordered antiferromagnetic (CO-AFM) state into ferromagnetic (FM) state is conferred. - Abstract: The magnetic properties of polycrystalline La{sub 0.5-x}Pr{sub x}Ca{sub 0.5}MnO{sub 3} material are investigated at different temperatures. The existence of magnetically diverse phases associated with various relaxation modes and their modulation with temperature and doping is analyzed. La{sub 0.5}Ca{sub 0.5}MnO{sub 3} exhibited field induced melting and collapse of charge ordered antiferromagnetic (CO-AFM) phase into ferromagnetic (FM) state. This phenomenon results in lowering of Neel’s temperature (T{sub N}) along with changes in the slope of magnetic moment with temperature. Using normalized M(T) curves, the variation and interplay of charge ordered temperature (T{sub CO}), Curie temperature (T{sub C}) and T{sub N} is conferred. The coexistence of two magnetic modes is explained as major ingredient for the magnetic transitions as well as metal to insulator transition (MIT); where melting and collapse of charge ordering is conversed as basic feature in these Praseodymium (Pr) doped La{sub 0.5}Ca{sub 0.5}MnO{sub 3} materials.

36 MATERIALS SCIENCE↗