Polymorphism in the Sc 2Si 2O 7-Y 2Si 2O 7 system

NASA Astrophysics Data System (ADS)

Escudero, Alberto; Alba, María D.; Becerro, Ana. I.

2007-04-01

This paper examines the structural changes with temperature and composition in the Sc 2Si 2O 7-Y 2Si 2O 7 system; members of this system are expected to form in the intergranular region of Si 3N 4 and SiC structural ceramics when sintered with the aid of Y 2O 3 and Sc 2O 3 mixtures. A set of different compositions have been synthesized using the sol-gel method to obtain a xerogel, which has been calcined at temperatures between 1300 and 1750 °C during different times. The temperature-composition diagram of the system, obtained from powder XRD data, is dominated by the β- RE2Si 2O 7 polymorph, with γ- RE2Si 2O 7 and δ- RE2Si 2O 7 showing very reduced stability fields. Isotherms at 1300 and 1600 °C have been analysed in detail to evaluate the solid solubility of the components. Although, the XRD data show a complete solid solubility of β-Sc 2Si 2O 7 in β-Y 2Si 2O 7 at 1300 °C, the 29Si MAS-NMR spectra indicate a local structural change at x ca. 1.15 (Sc 2-xY xSi 2O 7) related to the configuration of the Si tetrahedron, which does not affect the long-range order of the β- RE2Si 2O 7 structure. Finally, it is interesting to note that, although Sc 2Si 2O 7 shows a unique stable polymorph ( β), Sc 3+ is able to replace Y 3+ in γ-Y 2Si 2O 7 in the compositional range 1.86⩽ x⩽2 (where x is Sc 2-xY xSi 2O 7) as well as in δ-Y 2Si 2O 7 for compositions much closer to the pure Y 2Si 2O 7.

Spinel, YbFe2O4, and Yb2Fe3O7 types of structure for compounds in the In2O3 and Sc2O3-A2O3-BO systems (A: Fe, Ga, or Al; B: Mg, Mn, Fe, Ni, Cu, or Zn) at temperatures over 1000C

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kimizuka, N.; Mohri, T.

In the Sc2O3-Ga2O3-CuO, Sc2O3-Ga2O3-ZnO, and Sc2O3-Al2O3-CuO systems, ScGaCuO4, ScGaZnO4, and ScAlCuO4 with the YbFe2O4-type structure and Sc2Ga2CuO7 with the Yb2Fe3O7-type structure were obtained. In the In2O3-A2O3-BO systems (A: Fe, Ga, or Al; B: Mg, Mn, Fe, Ni, or Zn), InGaFeO4, InGaNiO4, and InFeT MgO4 with the spinel structure, InGaZnO4, InGaMgO4, and InAl-CuO4 with the YbFe2O4-type structure, and In2Ga2MnO7 and In2Ga2ZnO7 with the Yb2Fe3O7-type structure were obtained. InGaMnO4 and InFe2O4 had both the YbFe2O4-type and spinel-type structures. The revised classification for the crystal structures of AB2O4 compounds is presented, based upon the coordination numbers of constituent A and B cations. 5more » references, 2 tables.« less

A promising p-type transparent conducting material: Layered oxysulfide [Cu2S2][Sr3Sc2O5

NASA Astrophysics Data System (ADS)

Liu, Min-Ling; Wu, Li-Bin; Huang, Fu-Qiang; Chen, Li-Dong; Chen, I.-Wei

2007-12-01

Sr3Cu2Sc2O5S2, a layered oxysulfide, composed of anti-PbO-like [Cu2S2] slabs alternating with perovskitelike [Sr3Sc2O5] slabs, was systematically studied as a p-type transparent conducting material. The material has a wide energy gap of 3.1eV and a p-type electrical conductivity of 2.8Scm-1 at room temperature. The hole mobility of +150cm2V-1S-1 at room temperature, which is much higher than the typical value of ˜10-1-10width="0.3em"/>cm2V-1S-1 found in other copper compounds. The performances of bulk undoped Sr3Cu2Sc2O5S2 show the promise of copper oxysulfides as a class of p-type transparent conductive materials that is essential for optoelectronic applications.

Development of skin structure and cutaneous water loss in nestling desert house sparrows from Saudi Arabia.

PubMed

Groff, Brandon; Muñoz-Garcia, Agustí; Yamaguchi, Mamoru; Williams, Joseph B

2007-06-01

The outer layer of the epidermis, the stratum corneum (SC), contains lipids and corneocytes, which together form layers that limit cutaneous water loss (CWL). We examined the development of structure of the SC and CWL in nestling House Sparrows (Passer domesticus) from Saudi Arabia. We measured CWL of nestlings, and characterized development of their epidermis using electron microscopy. We tested two antagonistic hypotheses, that CWL decreases as nestlings age, a response to increased thickness of SC, and an opposite idea that CWL increases as nestlings age even though the number of layers of the SC remains constant. CWL of nestling House Sparrows varied with developmental stages, in a non-linear fashion, but not significantly so. CWL of nestlings averaged 7.31+/-1.5 g H(2)O/(m(2) h), whereas for adults it was 4.95 g/(m(2) h); adult CWL was 67.7% that of nestlings. We found that morphology of the SC did not change linearly with age, but seemed to vary with developmental stage. CWL decreased as the SC thickness increased and as the total thickness of the corneocytes increased. Further, we found that CWL decreased as the thickness of the extracellular space increased, number of corneocytes increased, and proportion of the SC that is extracellular space increased.

Interface science of virtual GaN substrates on Si(111) via Sc2O3/Y2O3 buffers: Experiment and theory

NASA Astrophysics Data System (ADS)

Tarnawska, L.; Dabrowski, J.; Grzela, T.; Lehmann, M.; Niermann, T.; Paszkiewicz, R.; Storck, P.; Schroeder, T.

2013-06-01

The final film quality of GaN on foreign substrates is known to crucially depend on the initial GaN interface and nucleation characteristics. To shed light on these characteristics of recently pioneered virtual, hexagonal GaN(0001) substrates on Si(111) via step graded Sc2O3(111)/Y2O3(111) buffers, a complex GaN(0001)/Sc2O3(111) interface structure model and the initial nucleation scenario is derived from a combined experimental (reflection high energy electron diffraction and X-ray photoelectron spectroscopy) and theoretical ab initio study. It is shown that the GaN/Sc2O3 interface chemistry is determined by a N-Ga-O-Sc atomic arrangement leading to N-polar GaN films. However, the atomic GaN(0001)/Sc2O3(111) interface configuration is complex and local perturbations might be at the origin of Ga-polar inversion domains in the mainly N-polar GaN films. The initial growth of GaN on Sc2O3 is characterized by an ultrathin N-Ga-O-Sc wetting layer which carries tensile strain and relaxes with increasing thickness. Further GaN deposition results in the formation of 3D islands which fully relax before island coalescence occurs. The implications of the GaN/Sc2O3 interface configuration, the 3D nucleation growth mode, and the coalescence process of misaligned islands are discussed with respect to the defect characteristics (inversion domains, cubic inclusions, threading dislocations) of the final GaN layer.

Synthesis and structure of a new layered oxyfluoride Sr{sub 2}ScO{sub 3}F with photocatalytic property

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wang, Yongkun; Tang, Kaibin, E-mail: kbtang@ustc.edu.cn; Zhu, Baichuan

2015-05-15

Highlights: • A new oxyfluoride compound Sr{sub 2}ScO{sub 3}F was prepared by a solid state route. • The structure of this compound was determined by GSAS program based on XRD data. • The photocatalytic property was investigated under UV irradiation. - Abstract: A new Ruddlesden–Popper type scandium oxyfluoride, Sr{sub 2}ScO{sub 3}F, was synthesized by a conventional solid state reaction route. The detailed structure of Sr{sub 2}ScO{sub 3}F was investigated using X-ray diffraction (XRD) and selected area electron diffraction (SAED). The disorder distribution pattern of fluorine anions was determined by the {sup 19}F nuclear magnetic resonance (NMR) spectrum. The compound crystallizesmore » in a K{sub 2}NiF{sub 4}-type tetragonal structure (space group I4/mmm) with O/F anions disordered over the apical sites of the perovskite-type Sc(O,F){sub 6} octahedron layers interleaved with strontium cations. Ultraviolet–visible (UV–vis) diffuse reflection spectrum of the prepared Sr{sub 2}ScO{sub 3}F indicates that it has an absorption in the UV–vis region. The photocatalytic activity of Sr{sub 2}ScO{sub 3}F was further investigated, showing an effective photodegradation of Rhodamine-B (RB) within 2 h under UV light irradiation.« less

The role of cleaning conditions and epitaxial layer structure on reliability of Sc 2O 3 and MgO passivation on AlGaN/GaN HEMTS

NASA Astrophysics Data System (ADS)

Luo, B.; Mehandru, R. M.; Kim, Jihyun; Ren, F.; Gila, B. P.; Onstine, A. H.; Abernathy, C. R.; Pearton, S. J.; Fitch, R. C.; Gillespie, J.; Dellmer, R.; Jenkins, T.; Sewell, J.; Via, D.; Crespo, A.

2002-12-01

The effect of layer structure (GaN versus AlGaN cap) and cleaning procedure prior to Sc 2O 3 or MgO deposition at 100 °C were examined for their effects on the long-term bias-stress stability of AlGaN/GaN high electron mobility transistors (HEMTs). Surface cleaning by itself was not sufficient to prevent current collapse in the devices. The forward and reverse gate leakage currents were decreased under most conditions upon deposition of the oxide passivation layers. After ≈13 h of bias-stressing, the MgO-passivated HEMTs retain ⩾90% their initial drain-source current. The Sc 2O 3-passivated devices retained ˜80% recovery of the current under the same conditions.

Electrical characteristics of proton-irradiated Sc2O3 passivated AlGaN/GaN high electron mobility transistors

NASA Astrophysics Data System (ADS)

Luo, B.; Kim, Jihyun; Ren, F.; Gillespie, J. K.; Fitch, R. C.; Sewell, J.; Dettmer, R.; Via, G. D.; Crespo, A.; Jenkins, T. J.; Gila, B. P.; Onstine, A. H.; Allums, K. K.; Abernathy, C. R.; Pearton, S. J.; Dwivedi, R.; Fogarty, T. N.; Wilkins, R.

2003-03-01

Sc2O3-passivated AlGaN/GaN high electron mobility transistors (HEMTs) were irradiated with 40 MeV protons to a fluence corresponding to approximately 10 years in low-earth orbit (5×109 cm-2). Devices with an AlGaN cap layer showed less degradation in dc characteristics than comparable GaN-cap devices, consistent with differences in average band energy. The changes in device performance could be attributed completely to bulk trapping effects, demonstrating that the effectiveness of the Sc2O3 layers in passivating surface states in the drain-source region was undiminished by the proton irradiation. Sc2O3-passivated AlGaN/HEMTs appear to be attractive candidates for space and terrestrial applications where resistance to high fluxes of ionizing radiation is a criteria.

BAnd offset and magnetic property engineering for epitaxial interfaces: a Monolayer of M2O3 (M=Al, Ga, Sc, Ti, Ni) at the alpha-Fe203/alpha-Cr203 (0001) Interface

DOE Office of Scientific and Technical Information (OSTI.GOV)

Jaffe, John E; Bachorz, Rafal A; Gutowski, Maciej S

2007-05-01

We have used density functional theory with the gradient corrected exchange-correlation functional PW91 to study the effect of an interfactant layer, where Fe and Cr are replaced by a different metal, on electronic and magnetic properties of an epitaxial interface between -Fe2O3 and -Cr2O3 in the hexagonal (0001) basal plane. We studied a monolayer of M2O3 (M=Al, Ga, Sc, Ti, Ni) sandwiched with 5 layers of chromia and five layers of hematite through epitaxial interfaces of two types, termed “oxygen divided” or “split metal.” We found that both the magnetic and electronic properties of the superlattice are modified by themore » interfactant monolayer. For the split metal interface, which is favored through the growth pattern of chromia and hematite, the band offset can be changed from 0.62 eV (no interfactant) up to 0.90 eV with the Sc2O3 interfactant, and down to –0.51 eV (i.e. the a-Fe2O3/a-Cr2O3 heterojunction changes from Type II to Type I) with the Ti2O3 interfactant, due to a massive interfacial charge transfer. The band gap of the system as a whole remains open for the interfactant monolayers based on Al, Ga, and Sc, but it closes for Ti. For Ni, the split-metal interface has a negative band offset and a small band gap. Thus, nanoscale engineering through layer-by-layer growth will strongly affect the macroscopic properties of this system.« less

Determination of Carrier Lifetimes in Organic-Inorganic Hybrid Solar Cells Based on Sb2S3 by Using the Time-Resolved Photocurrent

NASA Astrophysics Data System (ADS)

Jo, Hyun-Jun; Mun, Young Hee; Kim, Jong Su; Kim, Seung Hyun; Lee, Sang-Ju; Sung, Shi-Joon; Kim, Dae-Hwan

2018-03-01

This paper presents organic-inorganic hybrid solar cells (SCs) based on ZnO/Sb2S3/P3HT heterojunctions. The ZnO and the Sb2S3 layers were grown using atomic layer deposition (ALD). Although four cells were fabricated on one substrate by using the same process, their open-circuit voltages ( V OC ) and short-circuit current densities ( J SC ) were different. The SC with a high V OC has a low J SC . The causes of the changes in the V OC and the JSC were investigated by using photoluminescence (PL) spectroscopy and optically-biased time-resolved photocurrent (TRPC) measurements. The PL results at 300 K showed that the emission positions of the Sb2S3 layers in all cells were similar at approximately 1.71 eV. The carrier lifetime of the SCs was calculated from the TRPC results. The lifetime of cell 4 with the highest J SC decreased drastically with increasing intensity of the continuous-wave optical bias beam. Therefore, the defect states in the ZnO layer contribute to the J SC , but degrade the V OC .

Superconductivity proximate to antiferromagnetism in a copper-oxide monolayer grown on Bi2Sr2CaCu2O8 +δ

NASA Astrophysics Data System (ADS)

Wang, Shuai; Zhang, Long; Wang, Fa

2018-01-01

A nodeless superconducting (SC) gap was reported in a recent scanning tunneling spectroscopy experiment of a copper-oxide monolayer grown on a Bi2Sr2CaCu2O8 +δ (Bi2212) substrate [Zhong et al., Sci. Bull. 61, 1239 (2016), 10.1007/s11434-016-1145-4], which is in stark contrast to the nodal d -wave pairing gap in the bulk cuprates. Motivated by this experiment, we first show with first-principles calculations that the tetragonal CuO (T-CuO) monolayer on the Bi2212 substrate is more stable than the commonly postulated CuO2 structure. The T-CuO monolayer is composed of two CuO2 layers sharing the same O atoms. The band structure is obtained by first-principles calculations, and its strong electron correlation is treated with the renormalized mean-field theory. We argue that one CuO2 sublattice is hole doped while the other sublattice remains half filled and may have antiferromagnetic (AF) order. The doped Cu sublattice can show d -wave SC; however, its proximity to the AF Cu sublattice induces a spin-dependent hopping, which splits the Fermi surface and may lead to a full SC gap. Therefore, the nodeless SC gap observed in the experiment could be accounted for by the d -wave SC proximity to an AF order, thus it is extrinsic rather than intrinsic to the CuO2 layers.

Investigation of terbium scandate as an alternative gate dielectric in fully depleted transistors

NASA Astrophysics Data System (ADS)

Roeckerath, M.; Lopes, J. M. J.; Özben, E. Durǧun; Urban, C.; Schubert, J.; Mantl, S.; Jia, Y.; Schlom, D. G.

2010-01-01

Terbium scandate thin films were deposited by e-gun evaporation on (100) silicon substrates. Rutherford backscattering spectrometry and x-ray diffraction studies revealed homogeneous chemical compositions of the films. A dielectric constant of 26 and CV-curves with small hystereses were measured as well as low leakage current densities of <1 nA/cm2. Fully depleted n-type field-effect transistors on thin silicon-on-insulator substrates with terbium scandate gate dielectrics were fabricated with a gate-last process. The devices show inverse subthreshold slopes of 80 mV/dec and a carrier mobility for electrons of 225 cm2/V•s was extracted.

Propagation characteristics of longitudinal-type leaky surface acoustic wave on layered structure consisting of Sc x Al1‑ x N film/LiNbO3 substrate

NASA Astrophysics Data System (ADS)

Suzuki, Masashi; Gomi, Masashi; Kakio, Shoji

2018-07-01

A longitudinal-type leaky surface acoustic wave (LLSAW) has a high phase velocity. Therefore, LLSAW devices are suitable for applications to high-frequency filters. However, the attenuation of LLSAWs is higher than that of other SAW modes. This higher attenuation of LLSAWs, which causes a low Q factor, can be reduced by growing a higher-velocity film on a piezoelectric substrate. On the other hand, K 2 in the layered structure decreases because of the small piezoelectricity in high-velocity films. In this study, LLSAW propagation characteristics on a layered structure consisting of high-piezoelectric ScAlN film/X-cut 36°Y-propagation LiNbO3 were investigated. When a (0^\\circ ,0^\\circ ,0^\\circ ) or (0^\\circ ,90^\\circ ,0^\\circ ) ScAlN film was loaded, the reduction of the attenuation was observed, but K 2 for this layered structure is lower than that of LiNbO3. On the other hand, K 2 for (0^\\circ ,90^\\circ ,90^\\circ ) Sc0.4Al0.6N film/LN is higher than that of LiNbO3.

Multistack integration of three-dimensional hyperbranched anatase titania architectures for high-efficiency dye-sensitized solar cells.

PubMed

Wu, Wu-Qiang; Xu, Yang-Fan; Rao, Hua-Shang; Su, Cheng-Yong; Kuang, Dai-Bin

2014-04-30

An unprecedented attempt was conducted on suitably functionalized integration of three-dimensional hyperbranched titania architectures for efficient multistack photoanode, constructed via layer-by-layer assembly of hyperbranched hierarchical tree-like titania nanowires (underlayer), branched hierarchical rambutan-like titania hollow submicrometer-sized spheres (intermediate layer), and hyperbranched hierarchical urchin-like titania micrometer-sized spheres (top layer). Owing to favorable charge-collection, superior light harvesting efficiency and extended electron lifetime, the multilayered TiO2-based devices showed greater J(sc) and V(oc) than those of a conventional TiO2 nanoparticle (TNP), and an overall power conversion efficiency of 11.01% (J(sc) = 18.53 mA cm(-2); V(oc) = 827 mV and FF = 0.72) was attained, which remarkably outperformed that of a TNP-based reference cell (η = 7.62%) with a similar film thickness. Meanwhile, the facile and operable film-fabricating technique (hydrothermal and drop-casting) provides a promising scheme and great simplicity for high performance/cost ratio photovoltaic device processability in a sustainable way.

Overcoming the efficiency limitations of SnS2 nanoparticle-based bulk heterojunction solar cells

NASA Astrophysics Data System (ADS)

Tam Nguyen Truong, Nguyen; Kieu Trinh, Thanh; Thanh Hau Pham, Viet; Smith, Ryan P.; Park, Chinho

2018-04-01

This study examined the effects of heat treatment, the electron transport layer, and [6,6]-phenyl C61 butyric acid methyl ester (PCBM) incorporation on the performance of hybrid bulk heterojunction (BHJ) solar cells composed of tin disulfide (SnS2) nanoparticles (NPs) and low band gap energy polymers poly[2,6-(4,4-bis(2-ethylhexyl)-4H-cyclopenta[2,1-b3,4-b‧]dithiophene)-alt-4,7(2,1,3-benzothiadiazole)] (PCPDTBT) or poly({4,8-bis[(2-ethylhexyl)oxy]benzo[1,2-b:4,5-b‧]dithiophene-2,6-diyl}{3-fluoro-2-[(2-ethylhexyl)carbonyl]thieno[3,4-b]thiophenediyl}) (PBT7). Inserting an electron transport layer (ETL) (i.e., ZnO) on the top of the photoactive layer improved the surface morphology of the photoactive layer, which led to an improvement in charge transport. Moreover, adding a suitable amount of PCBM to the SnS2/polymer active layer enhanced the device performance, such as short circuit current density (J sc) and power conversion efficiency (PCE). In particular, adding 0.5 mg of PCBM to the composite solution led to a 25% and 1.5% improvement in the J sc value and PCE, respectively. The enhanced performance was due mainly to the improvements in the surface morphology of the photoactive layer, charge carrier mobility within the donor-acceptor interface, and carrier collection efficiency at the cathode.

Characterization of the ScAlMgO4 cleaving layer by X-ray crystal truncation rod scattering

NASA Astrophysics Data System (ADS)

Hanada, Takashi; Tajiri, Hiroo; Sakata, Osami; Fukuda, Tsuguo; Matsuoka, Takashi

2018-05-01

ScAlMgO4—easily cleaved in c-plane—forms a natural superlattice structure of a ScO2 layer and two Al0.5Mg0.5O layers stacking along c-axis. ScAlMgO4 is one of the RAMO4-type layered multicomponent oxides and a promising lattice-matching substrate material for InGaN and ZnO. Identification of the topmost layer and the surface atomic structure of the cleaved ScAlMgO4 (0001) are investigated by the X-ray crystal truncation rod scattering method. It is confirmed that ScAlMgO4 is cleaved between the two Al0.5Mg0.5O layers. The two parts separated at this interlayer are inversion symmetric to each other and without surface charge. This prevents parallel-plate-capacitor-like electrostatic force during the cleavage. Two different mechanisms are proposed for the two types of cleavage caused by the impact of a wedge and by the in-plane stress due to an overgrown thick GaN film. It is also revealed that about 10%-20% of the topmost O atoms are desorbed during a surface cleaning at 600 °C in ultra-high vacuum. Surface observations using reflection high-energy electron diffraction are possible only after the high-temperature cleaning because the electrical conduction caused by the oxygen deficiency prevents the charge-up of the insulating sample.

Absence of long range order in SrDy2O4 frustrated magnet due to trapped defects from a dimensionality crossover

NASA Astrophysics Data System (ADS)

Gauthier, Nicolas; Fennell, Amy; Uldry, Anne-Christine; Delley, Bernard; Sibille, Romain; White, Jonathan; Niedermayer, Christof; Pomjakushin, Vladimir; Kenzelmann, Michel; Prevost, Bobby; Desilets-Benoit, Alexandre; Bianchi, Andrea D.; Dabkowska, Hanna A.; Nilsen, Goran; Regnault, Louis-Pierre

The simultaneous occurence of geometrical frustration and low dimensionality can lead to strongly correlated fluctuating ground states. In the SrLn2O4 compounds, the Ln magnetic ions form one-dimensional (1D) zig-zag chains that have both of these characteristics, offering a playground to study novel states of matter. In SrDy2O4, the two inequivalent Dy3+ sites are Ising-like with perpendicular easy-axes, favouring the decoupling of neighbouring zig-zag chains. No long range order is observed down to T = 60 mK in zero field but diffuse neutron scattering indicates short range correlations that are consistent with those of the 1D Ising zig-zag chain model. AC susceptibility measurements indicate a slowing down of the fluctuations at low temperatures. We attribute this behaviour to the domain walls in the zig-zag chains. Experimental evidence of a dimensionality crossover at low temperatures in SrDy2O4 suggest that the domains walls are trapped because of interchain interactions, precluding long-range order to the lowest temperatures.

Reaction of silanes in supercritical CO2 with TiO2 and Al2O3.

PubMed

Gu, Wei; Tripp, Carl P

2006-06-20

Infrared spectroscopy was used to investigate the reaction of silanes with TiO2 and Al2O3 using supercritical CO2 (Sc-CO2) as a solvent. It was found that contact of Sc-CO2 with TiO2 leads to partial removal of the water layer and to the formation of carbonate, bicarbonate, and carboxylate species on the surface. Although these carbonate species are weakly bound to the TiO2 surface and can be removed by a N2 purge, they poison the surface, resulting in a lower level of reaction of silanes with TiO2. Specifically, the amount of hexamethyldisilazane adsorbed on TiO2 is about 10% of the value obtained when the reaction is performed from the gas phase. This is not unique to TiO2, as the formation of carbonate species also occurs upon contact of Al2O3 with Sc-CO2 and this leads to a lower level of reaction with hexamethyldisilazane. This is in contrast to reactions of silanes on SiO2 where Sc-CO2 has several advantages over conventional gaseous or nonaqueous methods. As a result, caution needs to be applied when using Sc-CO2 as a solvent for silanization reactions on oxides other than SiO2.

Dual Functional Core-Shell Fluorescent Ag2S@Carbon Nanostructure for Selective Assay of E. coli O157:H7 and Bactericidal Treatment.

PubMed

Wang, Ning; Wei, Xing; Zheng, An-Qi; Yang, Ting; Chen, Ming-Li; Wang, Jian-Hua

2017-03-24

A dual functional fluorescent core-shell Ag 2 S@Carbon nanostructure is prepared by a hydrothermally assisted multi-amino synthesis approach with folic acid (FA), polyethylenimine (PEI), and mannoses (Mans) as carbon and nitrogen sources (FA-PEI-Mans-Ag 2 S nanocomposite shortly as Ag 2 S@C). The nanostructure exhibits strong fluorescent emission at λ ex /λ em = 340/450 nm with a quantum yield of 12.57 ± 0.52%. Ag 2 S@C is bound to E. coli O157:H7 via strong interaction with the Mans moiety in Ag 2 S@C with FimH proteins on the fimbriae tip in E. coli O157:H7. Fluorescence emission from Ag 2 S@C/E. coli conjugate is closely related to the content of E. coli O157:H7. Thus, a novel procedure for fluorescence assay of E. coli O157:H7 is developed, offering a detection limit of 330 cfu mL -1 . Meanwhile, the Ag 2 S@C nanostructure exhibits excellent antibacterial performance against E. coli O157:H7. A 99.9% sterilization rate can be readily achieved for E. coli O157:H7 at a concentration of 10 6 -10 7 cfu mL -1 with 3.3 or 10 μg mL -1 of Ag 2 S@C with an interaction time of 5 or 0.5 min, respectively.

Thermodynamic and kinetic study of scandium(III) complexes of DTPA and DOTA: a step toward scandium radiopharmaceuticals.

PubMed

Pniok, Miroslav; Kubíček, Vojtěch; Havlíčková, Jana; Kotek, Jan; Sabatie-Gogová, Andrea; Plutnar, Jan; Huclier-Markai, Sandrine; Hermann, Petr

2014-06-23

Diethylenetriamine-N,N,N',N'',N''-pentaacetic acid (DTPA) and 1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetic acid (DOTA) scandium(III) complexes were investigated in the solution and solid state. Three (45)Sc NMR spectroscopic references suitable for aqueous solutions were suggested: 0.1 M Sc(ClO4)3 in 1 M aq. HClO4 (δSc =0.0 ppm), 0.1 M ScCl3 in 1 M aq. HCl (δSc =1.75 ppm) and 0.01 M [Sc(ox)4](5-) (ox(2-) = oxalato) in 1 M aq. K2C2O4 (δSc =8.31 ppm). In solution, [Sc(dtpa)](2-) complex (δSc = 83 ppm, Δν = 770 Hz) has a rather symmetric ligand field unlike highly unsymmetrical donor atom arrangement in [Sc(dota)](-) anion (δSc = 100 ppm, Δν = 4300 Hz). The solid-state structure of K8[Sc2(ox)7]⋅13 H2O contains two [Sc(ox)3](3-) units bridged by twice "side-on" coordinated oxalate anion with Sc(3+) ion in a dodecahedral O8 arrangement. Structures of [Sc(dtpa)](2-) and [Sc(dota)](-) in [(Hguanidine)]2[Sc(dtpa)]⋅3 H2O and K[Sc(dota)][H6 dota]Cl2⋅4 H2O, respectively, are analogous to those of trivalent lanthanide complexes with the same ligands. The [Sc(dota)](-) unit exhibits twisted square-antiprismatic arrangement without an axial ligand (TSA' isomer) and [Sc(dota)](-) and (H6 dota)(2+) units are bridged by a K(+) cation. A surprisingly high value of the last DOTA dissociation constant (pKa =12.9) was determined by potentiometry and confirmed by using NMR spectroscopy. Stability constants of scandium(III) complexes (log KScL 27.43 and 30.79 for DTPA and DOTA, respectively) were determined from potentiometric and (45)Sc NMR spectroscopic data. Both complexes are fully formed even below pH 2. Complexation of DOTA with the Sc(3+) ion is much faster than with trivalent lanthanides. Proton-assisted decomplexation of the [Sc(dota)](-) complex (τ1/2 =45 h; 1 M aq. HCl, 25 °C) is much slower than that for [Ln(dota)](-) complexes. Therefore, DOTA and its derivatives seem to be very suitable ligands for scandium radioisotopes. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Structural classification of RAO3( MO) n compounds ( R =Sc, In, Y, or lanthanides; A =Fe(III), Ga, Cr, or Al; M =divalent cation; n = 1-11)

NASA Astrophysics Data System (ADS)

Kimizuka, Noboru; Mohri, Takahiko

1989-01-01

A series of new compounds RAO3( MO) n ( n = 1-11) having spinel, YbFe 2O 4, or InFeO 3(ZnO) n types of structures were newly synthesized ( R =Sc, In, Y, Lu, Yb, Tm, or Er; A =Fe(III), Ga, Cr, or Al; M =Mg, Mn, Fe(II), Co, Ni, Zn, or Cd) at elevated temperatures. The conditions of synthesis and the lattice constants for these compounds are reported. The stacking sequences of the InO 1.5, (FeZn)O 2.5, and ZnO layers for InFeO 3(ZnO) 10 and the TmO 1.5, (AlZn)O 2.5, and ZnO layers for TmAlO 3(ZnO) 11 are presented, respectively. The crystal structures of the( RAO3) m( MO) n phases ( R =Sc, In, Y, or lanthanide elements; A =Fe(III), Ga, Cr, or Al; M =divalent cation elements; m and n =integer) are classified into four crystal structure types (K 2NiF 4, CaFe 2O 4, YbFe 2O 4, and spinel), based upon the constituent cations R, A, and M

Low-cost flexible supercapacitors with high-energy density based on nanostructured MnO2 and Fe2O3 thin films directly fabricated onto stainless steel.

PubMed

Gund, Girish S; Dubal, Deepak P; Chodankar, Nilesh R; Cho, Jun Y; Gomez-Romero, Pedro; Park, Chan; Lokhande, Chandrakant D

2015-07-24

The facile and economical electrochemical and successive ionic layer adsorption and reaction (SILAR) methods have been employed in order to prepare manganese oxide (MnO2) and iron oxide (Fe2O3) thin films, respectively with the fine optimized nanostructures on highly flexible stainless steel sheet. The symmetric and asymmetric flexible-solid-state supercapacitors (FSS-SCs) of nanostructured (nanosheets for MnO2 and nanoparticles for Fe2O3) electrodes with Na2SO4/Carboxymethyl cellulose (CMC) gel as a separator and electrolyte were assembled. MnO2 as positive and negative electrodes were used to fabricate symmetric SC, while the asymmetric SC was assembled by employing MnO2 as positive and Fe2O3 as negative electrode. Furthermore, the electrochemical features of symmetric and asymmetric SCs are systematically investigated. The results verify that the fabricated symmetric and asymmetric FSS-SCs present excellent reversibility (within the voltage window of 0-1 V and 0-2 V, respectively) and good cycling stability (83 and 91%, respectively for 3000 of CV cycles). Additionally, the asymmetric SC shows maximum specific capacitance of 92 Fg(-1), about 2-fold of higher energy density (41.8 Wh kg(-1)) than symmetric SC and excellent mechanical flexibility. Furthermore, the "real-life" demonstration of fabricated SCs to the panel of SUK confirms that asymmetric SC has 2-fold higher energy density compare to symmetric SC.

AlGaN/GaN metal-oxide-semiconductor high electron mobility transistors using Sc2O3 as the gate oxide and surface passivation

NASA Astrophysics Data System (ADS)

Mehandru, R.; Luo, B.; Kim, J.; Ren, F.; Gila, B. P.; Onstine, A. H.; Abernathy, C. R.; Pearton, S. J.; Gotthold, D.; Birkhahn, R.; Peres, B.; Fitch, R.; Gillespie, J.; Jenkins, T.; Sewell, J.; Via, D.; Crespo, A.

2003-04-01

We demonstrated that Sc2O3 thin films deposited by plasma-assisted molecular-beam epitaxy can be used simultaneously as a gate oxide and as a surface passivation layer on AlGaN/GaN high electron mobility transistors (HEMTs). The maximum drain source current, IDS, reaches a value of over 0.8 A/mm and is ˜40% higher on Sc2O3/AlGaN/GaN transistors relative to conventional HEMTs fabricated on the same wafer. The metal-oxide-semiconductor HEMTs (MOS-HEMTs) threshold voltage is in good agreement with the theoretical value, indicating that Sc2O3 retains a low surface state density on the AlGaN/GaN structures and effectively eliminates the collapse in drain current seen in unpassivated devices. The MOS-HEMTs can be modulated to +6 V of gate voltage. In particular, Sc2O3 is a very promising candidate as a gate dielectric and surface passivant because it is more stable on GaN than is MgO.

A comparative study of CeO2-Al2O3 support prepared with different methods and its application on MoO3/CeO2-Al2O3 catalyst for sulfur-resistant methanation

NASA Astrophysics Data System (ADS)

Jiang, Minhong; Wang, Baowei; Yao, Yuqin; Li, Zhenhua; Ma, Xinbin; Qin, Shaodong; Sun, Qi

2013-11-01

The CeO2-Al2O3 supports prepared with impregnation (IM), deposition precipitation (DP), and solution combustion (SC) methods for MoO3/CeO2-Al2O3 catalyst were investigated in the sulfur-resistant methanation. The supports and catalysts were characterized by N2-physisorption, transmission electron microscopy (TEM), X-ray diffraction (XRD), Raman spectroscopy (RS), and temperature-programmed reduction (TPR). The N2-physisorption results indicated that the DP method was favorable for obtaining better textural properties. The TEM and RS results suggested that there is a CeO2 layer on the surface of the support prepared with DP method. This CeO2 layer not only prevented the interaction between MoO3 and γ-Al2O3 to form Al2(MoO4)3 species, but also improved the dispersion of MoO3 in the catalyst. Accordingly, the catalysts whose supports were prepared with DP method exhibited the best catalytic activity. The catalysts whose supports were prepared with SC method had the worst catalytic activity. This was caused by the formation of Al2(MoO4)3 and crystalline MoO3. Additionally, the CeO2 layer resulted in the instability of catalysts in reaction process. The increasing of calcination temperature of supports reduced the catalytic activity of all catalysts. The decrease extent of the catalysts whose supports were prepared with DP method was the lowest as the CeO2 layer prevented the interaction between MoO3 and γ-Al2O3.

Probing Metal Carbonation Reactions of CO2 in a Model System Containing Forsterite and H2O Using Si-29, C-13 Magic Angle Sample Spinning NMR Spectroscopy

NASA Astrophysics Data System (ADS)

Hu, J.; Kwak, J.; Hoyt, D. W.; Sears, J. A.; Rosso, K. M.; Felmy, A. R.

2009-12-01

Ex situ solid state NMR have been used for the first time to study fundamental mineral carbonation processes and reaction extent relevant to geologic carbon sequestration using a model silicate mineral forsterite (Mg2SiO4)+scCO2 with and without H2O. Run conditions were 80C and 96 bar. Si-29 NMR clearly shows that in the absence of CO2, the role of H2O is to hydrolyze surface Mg-O-Si bonds to produce Mg2+, and mono- and oligomeric hydroxylated silica species. The surface hydrolysis products contain only Q0 (Si(OH)4) and Q1 (Si(OH)3OSi) species. An equilibrium between Q0, Q1 and Mg2+ with a saturated concentration equivalent to less than 3.2% of the Mg2SiO4 conversion is obtained at a reaction time of up to 7 days. Using scCO2 without H2O, no reaction is observed within 7 days. Using both scCO2 and H2O, the surface reaction products for silica are mainly Q3 (SiOH(OSi)3) species accompanied by a lesser amount of Q2 (Si(OH)2(OSi)2) and Q4 (Si(OSi)4). However, no Q0 and Q1 were detected, indicating the carbonic acid formation/deprotonation and magnesite (MgCO3) precipitation reactions are faster than the forsterite hydrolysis process. Thus it can be concluded that the Mg2SiO4 hydrolysis process is the rate limiting step of the overall mineral carbonation process. Si-29 NMR combined with XRD, TEM, SAED and EDX further reveal that the reaction is a surface reaction with the Mg2SiO4 crystallite in the core and with condensed Q2-Q4 species forming amorphous surface layers. C-13 MAS NMR identified a possible reaction intermediates as (MgCO3)4*Mg(OH)2*5H2O. However, at long reaction times only crystallite magnesite MgCO3 products are observed. This research is part of a broader effort at PNNL to develop experimental tools and fundamental insights into chemical transformations affecting subsurface CO2 reactive transport. Si-29 (left) and C-13 (right) MAS NMR spectra of Mg2SiO4 under various reaction conditions. Si-29 NMR reveals that in scCO2 without H2O, no reaction is observed (b). In H2O without scCO2, only surface hydrolysis products Q0 and Q1 are present (c). In a mixture of both H2O and scCO2, the products are Q2, Q3 and Q4 (d). C-13 NMR (e-f) reveals the formation of MgCO3 at long reaction times with (MgCO3)4*Mg(OH)2*5H2O as a possible reaction intermediate.

Piezoelectric Performance and Hydrostatic Parameters of Novel 2-2-Type Composites.

PubMed

Topolov, Vitaly Yu; Bowen, Christopher R; Krivoruchko, Andrey V

2017-10-01

This paper provides a detailed study of the structure-piezoelectric property relationships and the hydrostatic response of 2-2-Type composites based on relaxor-ferroelectric 0.72 Pb (Mg 1/3 Nb 2/3 )O 3 -0.28PbTiO 3 single crystal (SC) material. Type I layers in the composite system are represented by a single-domain [111]-poled SC. Changes in the orientation of the crystallographic axes in the Type I layer are undertaken to determine the maximum values of the hydrostatic piezoelectric coefficients d h ∗ , g h ∗ , and e h ∗ , and squared figure of merit d h ∗ g h ∗ of the composite. The Type II layers are a 0-3 composite whereby inclusions of modified PbTiO 3 ceramic are distributed in a polymer matrix. A new effect is described for the first time due to the impact of anisotropic elastic properties of the Type II layers on the hydrostatic piezoelectric response that is coupled with the polarization orientation effect in the Type I layers. Large hydrostatic parameters g h ∗ ≈ 300 -400 mV · m/N, e h ∗ ≈ 40 -45 C/ [Formula: see text], and d h ∗ g h ∗  ∼ 10 -11 Pa -1 are achieved in the composite based on the 0.72 Pb(Mg 1/3 Nb 2/3 )O 3 -0.28PbTiO 3 SC. Examples of the large piezoelectric anisotropy ( |d 33 ∗ /d 3f ∗ | ≥ 5 or | g 33 ∗ /g 3f ∗ | ≥ 5 ) are discussed. The hydrostatic parameters of this novel compositesystem are compared to those of conventional 2-2 piezocomposites.

Low-cost flexible supercapacitors with high-energy density based on nanostructured MnO2 and Fe2O3 thin films directly fabricated onto stainless steel

PubMed Central

Gund, Girish S.; Dubal, Deepak P.; Chodankar, Nilesh R.; Cho, Jun Y.; Gomez-Romero, Pedro; Park, Chan; Lokhande, Chandrakant D.

2015-01-01

The facile and economical electrochemical and successive ionic layer adsorption and reaction (SILAR) methods have been employed in order to prepare manganese oxide (MnO2) and iron oxide (Fe2O3) thin films, respectively with the fine optimized nanostructures on highly flexible stainless steel sheet. The symmetric and asymmetric flexible-solid-state supercapacitors (FSS-SCs) of nanostructured (nanosheets for MnO2 and nanoparticles for Fe2O3) electrodes with Na2SO4/Carboxymethyl cellulose (CMC) gel as a separator and electrolyte were assembled. MnO2 as positive and negative electrodes were used to fabricate symmetric SC, while the asymmetric SC was assembled by employing MnO2 as positive and Fe2O3 as negative electrode. Furthermore, the electrochemical features of symmetric and asymmetric SCs are systematically investigated. The results verify that the fabricated symmetric and asymmetric FSS-SCs present excellent reversibility (within the voltage window of 0–1 V and 0–2 V, respectively) and good cycling stability (83 and 91%, respectively for 3000 of CV cycles). Additionally, the asymmetric SC shows maximum specific capacitance of 92 Fg−1, about 2-fold of higher energy density (41.8 Wh kg−1) than symmetric SC and excellent mechanical flexibility. Furthermore, the “real-life” demonstration of fabricated SCs to the panel of SUK confirms that asymmetric SC has 2-fold higher energy density compare to symmetric SC. PMID:26208144

Low-cost flexible supercapacitors with high-energy density based on nanostructured MnO2 and Fe2O3 thin films directly fabricated onto stainless steel

NASA Astrophysics Data System (ADS)

Gund, Girish S.; Dubal, Deepak P.; Chodankar, Nilesh R.; Cho, Jun Y.; Gomez-Romero, Pedro; Park, Chan; Lokhande, Chandrakant D.

2015-07-01

The facile and economical electrochemical and successive ionic layer adsorption and reaction (SILAR) methods have been employed in order to prepare manganese oxide (MnO2) and iron oxide (Fe2O3) thin films, respectively with the fine optimized nanostructures on highly flexible stainless steel sheet. The symmetric and asymmetric flexible-solid-state supercapacitors (FSS-SCs) of nanostructured (nanosheets for MnO2 and nanoparticles for Fe2O3) electrodes with Na2SO4/Carboxymethyl cellulose (CMC) gel as a separator and electrolyte were assembled. MnO2 as positive and negative electrodes were used to fabricate symmetric SC, while the asymmetric SC was assembled by employing MnO2 as positive and Fe2O3 as negative electrode. Furthermore, the electrochemical features of symmetric and asymmetric SCs are systematically investigated. The results verify that the fabricated symmetric and asymmetric FSS-SCs present excellent reversibility (within the voltage window of 0-1 V and 0-2 V, respectively) and good cycling stability (83 and 91%, respectively for 3000 of CV cycles). Additionally, the asymmetric SC shows maximum specific capacitance of 92 Fg-1, about 2-fold of higher energy density (41.8 Wh kg-1) than symmetric SC and excellent mechanical flexibility. Furthermore, the “real-life” demonstration of fabricated SCs to the panel of SUK confirms that asymmetric SC has 2-fold higher energy density compare to symmetric SC.

Enrichment of Sc2O3 and TiO2 from bauxite ore residues.

PubMed

Deng, Bona; Li, Guanghui; Luo, Jun; Ye, Qing; Liu, Mingxia; Peng, Zhiwei; Jiang, Tao

2017-06-05

As a major byproduct generated in the alumina industry, bauxite ore residue is an important reserve of scandium and titanium. In this study, the feasibility and mechanism of enriching Sc 2 O 3 and TiO 2 from a non-magnetic material, which was obtained from carbothermal reductive roasting and magnetic separation of bauxite ore residue, were investigated based on a two-step (acidic and alkali) leaching process. It was revealed that approximately 78% SiO 2 and 30-40% of CaO, FeO and Al 2 O 3 were removed from a non-magnetic material with 0.0134wt.% Sc 2 O 3 and 7.64wt.% TiO 2 by phosphoric acidic leaching, while about 95% Al 2 O 3 and P 2 O 5 were further leached by subsequent sodium hydroxide leaching of the upper-stream leach residue. A Sc 2 O 3 -, TiO 2 - rich material containing 0.044wt.% Sc 2 O 3 and 25.5wt.% TiO 2 was obtained, the recovery and the enrichment factor of Sc 2 O 3 and TiO 2 were about 85% and 5, respectively. The enrichment of Sc 2 O 3 was attributed to higher pH (>3.3) of phosphoric acid solution than its dissolution pH 0 , and the enrichment of TiO 2 was mainly associated with the insoluble perovskite (CaTiO 3 ) in the acidic solution at ambient temperature. As Sc 2 O 3 and TiO 2 cannot be dissolved in the alkali solution, they were further enriched in the leach residue. Copyright © 2017 Elsevier B.V. All rights reserved.

Kampelite, Ba3Mg1.5Sc4(PO4)6(OH)3·4H2O, a new very complex Ba-Sc phosphate mineral from the Kovdor phoscorite-carbonatite complex (Kola Peninsula, Russia)

NASA Astrophysics Data System (ADS)

Yakovenchuk, Victor N.; Ivanyuk, Gregory Yu.; Pakhomovsky, Yakov A.; Panikorovskii, Taras L.; Britvin, Sergei N.; Krivovichev, Sergey V.; Shilovskikh, Vladimir V.; Bocharov, Vladimir N.

2018-02-01

Kampelite, Ba3Mg1.5Sc4(PO4)6(OH)3·4H2O, is a new Ba-Sc phosphate from the Kovdor phoscorite-carbonatite complex (Kola Peninsula, Russia). It is orthorhombic, Pnma, a = 11.256(1), b = 8.512(1), c = 27.707(4) Å, V = 2654.6(3) Å3 and Z = 4 (from powder diffraction data) or a = 11.2261(9), b = 8.5039(6), c = 27.699(2) Å, V = 2644.3(3) Å3 (from single-crystal diffraction data). The mineral was found in a void within the calcite-magnetite phoscorite (enriched in hydroxylapatite and Sc-rich baddeleyite) inside the axial zone of the Kovdor phoscorite-carbonatite pipe. Kampelite forms radiated aggregates (up to 1.5 mm in diameter) of platy crystals grown on the surfaces of crystals of quintinite-2 H in close association with pyrite, bobierrite and quintinite-3 R. Kampelite is colourless, with a pearly lustre and a white streak. The cleavage is perfect on {001}, the fracture is smooth. Mohs hardness is about 1. In transmitted light, the mineral is colourless without pleochroism or dispersion. Kampelite is biaxial + (pseudouniaxial), α ≈ β = 1.607(2), γ = 1.612(2) (589 nm), and 2 V calc = 0°. The calculated and measured densities are 3.28 and 3.07(3) g·cm-3, respectively. The mean chemical composition determined by electron microprobe is: MgO 4.79, Al2O3 0.45, P2O5 31.66, K2O 0.34, Sc2O3 16.17, Mn2O3 1.62, Fe2O3 1.38, SrO 3.44, and BaO 29.81 wt%. The H2O content estimated from the crystal-structure refinement is 7.12 wt%, giving a total of 96.51 wt%. The empirical formula calculated on the basis of P = 6 apfu (atoms per formula unit) is (Ba2.62Sr0.45K0.10Ca0.06)Σ3.23Mg1.60Mn0.28(Sc3.15Fe3+ 0.23Al0.12)Σ3.50(PO4)6(OH)2.61·4.01H2O. The simplified formula is Ba3Mg1.5Sc4(PO4)6(OH)3·4H2O. The mineral easily dissolves in 10% cold HCl. The strongest X-ray powder-diffraction lines [listed as d in Å ( I) ( hkl)] are as follows: 15.80(100)(001), 13.86(45)(002), 3.184(18)(223), 3.129(19)(026), 2.756(16)(402), 2.688(24)(10 10). The crystal structure of kampelite was refined to R 1 = 0.092 on the basis of 2620 unique observed reflections. It is based upon complex [MgBa2Sc4(PO4)6] layers consisting of the Ba-PO4 zigzag sheet inserted between two Mg-Sc-PO4 sheets. Raman spectrum of kampelite contains characteristic bands of vibrations of the PO4, ScO6 and H2O groups. Kampelite formed as a result of low-temperature hydrothermal alteration of Sc-bearing baddeleyite, which also produces Sc-rich pyrochlore and juonniite. The structural complexity parameters for kameplite are equal to 5.272 bits/atom and 1244.304 bits/cell, which points out that the mineral is structurally very complex, in agreement with its late-stage hydrothermal origin. The mineral is named in honour of Russian mining engineer Felix Borisovich Kampel' (b. 1935) for his contribution to the development of technologies of mining and processing of complex magnetite-apatite-baddeleyite ores of the Kovdor deposit.

Isotope analysis of diamond-surface passivation effect of high-temperature H{sub 2}O-grown atomic layer deposition-Al{sub 2}O{sub 3} films

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hiraiwa, Atsushi, E-mail: hiraiwa@aoni.waseda.jp, E-mail: qs4a-hriw@asahi-net.or.jp; Saito, Tatsuya; Matsumura, Daisuke

2015-06-07

The Al{sub 2}O{sub 3} film formed using an atomic layer deposition (ALD) method with trimethylaluminum as Al precursor and H{sub 2}O as oxidant at a high temperature (450 °C) effectively passivates the p-type surface conduction (SC) layer specific to a hydrogen-terminated diamond surface, leading to a successful operation of diamond SC field-effect transistors at 400 °C. In order to investigate this excellent passivation effect, we carried out an isotope analysis using D{sub 2}O instead of H{sub 2}O in the ALD and found that the Al{sub 2}O{sub 3} film formed at a conventional temperature (100 °C) incorporates 50 times more CH{sub 3} groups thanmore » the high-temperature film. This CH{sub 3} is supposed to dissociate from the film when heated afterwards at a higher temperature (550 °C) and causes peeling patterns on the H-terminated surface. The high-temperature film is free from this problem and has the largest mass density and dielectric constant among those investigated in this study. The isotope analysis also unveiled a relatively active H-exchange reaction between the diamond H-termination and H{sub 2}O oxidant during the high-temperature ALD, the SC still being kept intact. This dynamic and yet steady H termination is realized by the suppressed oxidation due to the endothermic reaction with H{sub 2}O. Additionally, we not only observed the kinetic isotope effect in the form of reduced growth rate of D{sub 2}O-oxidant ALD but found that the mass density and dielectric constant of D{sub 2}O-grown Al{sub 2}O{sub 3} films are smaller than those of H{sub 2}O-grown films. This is a new type of isotope effect, which is not caused by the presence of isotopes in the films unlike the traditional isotope effects that originate from the presence of isotopes itself. Hence, the high-temperature ALD is very effective in forming Al{sub 2}O{sub 3} films as a passivation and/or gate-insulation layer of high-temperature-operation diamond SC devices, and the knowledge of the aforementioned new isotope effect will be a basis for further enhancing ALD technologies in general.« less

Solution Synthesis, Structure, and CO2 Reduction Reactivity of a Scandium(II) Complex, {Sc[N(SiMe3 )2 ]3 }.

PubMed

Woen, David H; Chen, Guo P; Ziller, Joseph W; Boyle, Timothy J; Furche, Filipp; Evans, William J

2017-02-13

The first crystallographically characterizable complex of Sc 2+ , [Sc(NR 2 ) 3 ] - (R=SiMe 3 ), has been obtained by LnA 3 /M reactions (Ln=rare earth metal; A=anionic ligand; M=alkali metal) involving reduction of Sc(NR 2 ) 3 with K in the presence of 2.2.2-cryptand (crypt) and 18-crown-6 (18-c-6) and with Cs in the presence of crypt. Dark maroon [K(crypt)] + , [K(18-c-6)] + , and [Cs(crypt)] + salts of the [Sc(NR 2 ) 3 ] - anion are formed, respectively. The formation of this oxidation state of Sc is also indicated by the eight-line EPR spectra arising from the I=7/2 45 Sc nucleus. The Sc(NR 2 ) 3 reduction differs from Ln(NR 2 ) 3 reactions (Ln=Y and lanthanides) in that it occurs under N 2 without formation of isolable reduced dinitrogen species. [K(18-c-6)][Sc(NR 2 ) 3 ] reacts with CO 2 to produce an oxalate complex, {K 2 (18-c-6) 3 }{[(R 2 N) 3 Sc] 2 (μ-C 2 O 4 -κ 1 O:κ 1 O'')}, and a CO 2 - radical anion complex, [(R 2 N) 3 Sc(μ-OCO-κ 1 O:κ 1 O')K(18-c-6)] n . © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Facile Approach to Preparing a Vanadium Oxide Hydrate Layer as a Hole-Transport Layer for High-Performance Polymer Solar Cells.

PubMed

Cong, Hailin; Han, Dongwei; Sun, Bingbing; Zhou, Dongying; Wang, Chen; Liu, Ping; Feng, Lai

2017-05-31

We demonstrate a facile and green approach to preparing a vanadium oxide hydrate (VO x ·nH 2 O) layer to serve as the hole-transport layer (HTL) in high-performance polymer solar cells (PSCs). The VO x ·nH 2 O layer was in situ prepared by a combined H 2 O 2 and ultraviolet-ozone (UVO) processing on a VO x layer. The as-prepared VO x ·nH 2 O layer featured a work function of 5.0 ± 0.1 eV, high transmittance, and better interface properties compared to those of the generally prepared VO x (UVO or thermal annealing) layers. PSCs based on poly[(ethylhexyl-thiophenyl)-benzodithiophene-(ethylhexyl)-thienothiophene]/[6,6]-phenyl-C 71 -butyric acid methyl ester using the VO x ·nH 2 O layer as the HTL yielded high power conversion efficiencies (PCEs) up to 8.11%, outperforming the devices with VO x layers (PCE of 6.79% for the UVO-processed VO x layer and 6.10% for the thermally annealed VO x layer) and conventional polyethylenedioxythiophene-polystyrenesulfonate (PEDOT:PSS) layers (PCE of 7.67%). The improved PCE was attributed to the enhanced J SC and/or fill factor, which mainly correlate to the improved interfacial contact between the photoactive layer and the indium tin oxide/HTL or cathode when using the VO x ·nH 2 O layer as the HTL. A similar improvement in the PCE was also observed for the PSCs based on poly(3-hexylthiophene)/[6,6]-phenyl-C 61 -butyric acid methyl ester. In addition, PSCs with a VO x ·nH 2 O layer as the HTL showed a higher stability than that of those with a PEDOT:PSS layer. Hence, it would be possible to use this simply and in situ prepared VO x ·nH 2 O layer as an inexpensive HTL for high-performance PSCs.

Facile Synthesis of Free-Standing NiO/MnO2 Core-Shell Nanoflakes on Carbon Cloth for Flexible Supercapacitors.

PubMed

Xi, Shuang; Zhu, Yinlong; Yang, Yutu; Jiang, Shulan; Tang, Zirong

2017-12-01

Free-standing NiO/MnO 2 core-shell nanoflake structure was deposited on flexible carbon cloth (CC) used as electrode for high-performance supercapacitor (SC). The NiO core was grown directly on CC by hydrothermal process and the following annealing treatment. MnO 2 thin film was then covered on NiO structures via a self-limiting process in aqueous solution of 0.5 M KMnO 4 and 0.5 M Na 2 SO 4 with a carbon layer serving as the sacrificial layer. Both the core and shell materials are good pseudocapacitive materials, the compounds of binary metal oxides can provide the synergistic effect of all individual constituents, and thus enhance the performance of SC electrode. The obtained CC/NiO/MnO 2 heterostructure was directly used as SC electrodes, showing an enhanced electrochemical performance including areal capacitance of 316.37 mF/cm 2 and special gravimetric capacitance of 204.3 F/g at the scan rate of 50 mV/s. The electrode also shows excellent cycling stability, which retains 89% of its initial discharge capacitance after 2200 cycles with >97% Coulombic efficiency. The synthesized binder-free hierarchical composite electrode with superior electrochemical properties demonstrates enormous potential in the application of flexible SCs.

Organic-Acid-Assisted Fabrication of Low-Cost Li-Rich Cathode Material (Li[Li1/6Fe1/6Ni1/6Mn1/2]O-2) for Lithium-Ion Battery

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhao, Taolin; Chen, Shi; Li, Li

2014-12-24

A novel Li-rich cathode Li[Li1/6Fe1/6Ni1/6Mn1/2]O-2 (0.4Li(2)MnO(3-)0.6LiFe(1/3)Ni(1/3)Mn(1/3)O(2)) was synthesized by a solgel method, which uses citric acid (SC), tartaric acid (ST), or adipic acid (SA) as a chelating agent. The structural, morphological, and electrochemical properties of the prepared samples were characterized by various methods. X-ray diffraction showed that single-phase materials are formed mainly with typical alpha-NaFeO2 layered structure (R3 m), and the SC sample has the lowest Li/Ni cation disorder. The morphological study indicated homogeneous primary particles in good distribution size (100 nm) with small aggregates. The Fe, Ni, and Mn valences were determined by X-ray absorption near-edge structure analysis. Inmore » coin cell tests, the initial reversible discharge capacity of an SA electrode was 289.7 mAh g(-1) at the 0.1C rate in the 1.54.8 V voltage range, while an SC electrode showed a better cycling stability with relatively high capacity retention. At the 2C rate, the SC electrode can deliver a discharge capacity of 150 mAh g(-1) after 50 cycles. Differential capacity vs voltage curves were employed to further investigate the electrochemical reactions and the structural change process during cycling. This low-cost, Fe-based compound prepared by the solgel method has the potential to be used as the high capacity cathode material for Liion batteries.« less

Evaluation of CO 2 -Fluid-Rock Interaction in Enhanced Geothermal Systems: Field-Scale Geochemical Simulations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Pan, Feng; McPherson, Brian J.; Kaszuba, John

Recent studies suggest that using supercritical CO 2 (scCO 2 ) instead of water as a heat transmission fluid in Enhanced Geothermal Systems (EGS) may improve energy extraction. While CO 2 -fluid-rock interactions at “typical” temperatures and pressures of subsurface reservoirs are fairly well known, such understanding for the elevated conditions of EGS is relatively unresolved. Geochemical impacts of CO 2 as a working fluid (“CO 2 -EGS”) compared to those for water as a working fluid (H 2 O-EGS) are needed. The primary objectives of this study are (1) constraining geochemical processes associated with CO 2 -fluid-rock interactions undermore » the high pressures and temperatures of a typical CO 2 -EGS site and (2) comparing geochemical impacts of CO 2 -EGS to geochemical impacts of H 2 O-EGS. The St. John’s Dome CO 2 -EGS research site in Arizona was adopted as a case study. A 3D model of the site was developed. Net heat extraction and mass flow production rates for CO 2 -EGS were larger compared to H 2 O-EGS, suggesting that using scCO 2 as a working fluid may enhance EGS heat extraction. More aqueous CO 2 accumulates within upper- and lower-lying layers than in the injection/production layers, reducing pH values and leading to increased dissolution and precipitation of minerals in those upper and lower layers. Dissolution of oligoclase for water as a working fluid shows smaller magnitude in rates and different distributions in profile than those for scCO 2 as a working fluid. It indicates that geochemical processes of scCO 2 -rock interaction have significant effects on mineral dissolution and precipitation in magnitudes and distributions.« less

Evaluation of CO 2 -Fluid-Rock Interaction in Enhanced Geothermal Systems: Field-Scale Geochemical Simulations

DOE PAGES

Pan, Feng; McPherson, Brian J.; Kaszuba, John

2017-01-01

Recent studies suggest that using supercritical CO 2 (scCO 2 ) instead of water as a heat transmission fluid in Enhanced Geothermal Systems (EGS) may improve energy extraction. While CO 2 -fluid-rock interactions at “typical” temperatures and pressures of subsurface reservoirs are fairly well known, such understanding for the elevated conditions of EGS is relatively unresolved. Geochemical impacts of CO 2 as a working fluid (“CO 2 -EGS”) compared to those for water as a working fluid (H 2 O-EGS) are needed. The primary objectives of this study are (1) constraining geochemical processes associated with CO 2 -fluid-rock interactions undermore » the high pressures and temperatures of a typical CO 2 -EGS site and (2) comparing geochemical impacts of CO 2 -EGS to geochemical impacts of H 2 O-EGS. The St. John’s Dome CO 2 -EGS research site in Arizona was adopted as a case study. A 3D model of the site was developed. Net heat extraction and mass flow production rates for CO 2 -EGS were larger compared to H 2 O-EGS, suggesting that using scCO 2 as a working fluid may enhance EGS heat extraction. More aqueous CO 2 accumulates within upper- and lower-lying layers than in the injection/production layers, reducing pH values and leading to increased dissolution and precipitation of minerals in those upper and lower layers. Dissolution of oligoclase for water as a working fluid shows smaller magnitude in rates and different distributions in profile than those for scCO 2 as a working fluid. It indicates that geochemical processes of scCO 2 -rock interaction have significant effects on mineral dissolution and precipitation in magnitudes and distributions.« less

Structural classification of RAO/sub 3/(MO)/sub n/ compounds (R = Sc, In, Y, or lanthanides; A = Fe(III), Ga, Cr, or Al; M = divalent cation; n = 1-11)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kimizuka, N.; Mohri, T.

A series of new compounds (RAO/sub 3/MO)/sub n/ (n = 1-11) having spinel, YbFe/sub 2/O/sub 4/, or InFeO/sub 3/(ZnO)/sub n/ types of structures were newly synthesized (R = Sc, In, Y, Lu, Yb, Tm, or Er; A = Fe(III), Ga, Cr, or Al; M = Mg, Mn, Fe(II), Co, Ni, Zn, or Cd) at elevated temperatures. The conditions of synthesis and the lattice constants for these compounds are reported. The stacking sequences of the InO/sub 1.5/, (FeZn)O/sub 2.5/, and ZnO layers for InFeO/sub 3/(ZnO)/sub 10/ and the TmO/sub 1.5/, (AlZn)O/sub 2.5/, and ZnO layers for TmAlO/sub 3/(ZnO)/sub 11/ are presented,more » respectively. The crystal structures of the (RAO/sub 3/)/sub m/(MO)/sub n/ phases R = Sc, In, Y, or lanthanide elements; A = Fe(III), Ga, Cr, or Al; M = divalent cation elements; m and n = integer are classified into four crystal structure types (K/sub 2/NiF/sub 4/, CaFe/sub 2/O/sub 4/, YbFe/sub 2/O/sub 4/, and spinel), based upon the constituent cations R, A, and M.« less

Strain-Compensated InGaAsP Superlattices for Defect Reduction of InP Grown on Exact-Oriented (001) Patterned Si Substrates by Metal Organic Chemical Vapor Deposition

PubMed Central

Megalini, Ludovico; Šuran Brunelli, Simone Tommaso; Charles, William O.; Taylor, Aidan; Isaac, Brandon; Klamkin, Jonathan

2018-01-01

We report on the use of InGaAsP strain-compensated superlattices (SC-SLs) as a technique to reduce the defect density of Indium Phosphide (InP) grown on silicon (InP-on-Si) by Metal Organic Chemical Vapor Deposition (MOCVD). Initially, a 2 μm thick gallium arsenide (GaAs) layer was grown with very high uniformity on exact oriented (001) 300 mm Si wafers; which had been patterned in 90 nm V-grooved trenches separated by silicon dioxide (SiO2) stripes and oriented along the [110] direction. Undercut at the Si/SiO2 interface was used to reduce the propagation of defects into the III–V layers. Following wafer dicing; 2.6 μm of indium phosphide (InP) was grown on such GaAs-on-Si templates. InGaAsP SC-SLs and thermal annealing were used to achieve a high-quality and smooth InP pseudo-substrate with a reduced defect density. Both the GaAs-on-Si and the subsequently grown InP layers were characterized using a variety of techniques including X-ray diffraction (XRD); atomic force microscopy (AFM); transmission electron microscopy (TEM); and electron channeling contrast imaging (ECCI); which indicate high-quality of the epitaxial films. The threading dislocation density and RMS surface roughness of the final InP layer were 5 × 108/cm2 and 1.2 nm; respectively and 7.8 × 107/cm2 and 10.8 nm for the GaAs-on-Si layer. PMID:29495381

A novel perovskite solar cell design using aligned TiO2 nano-bundles grown on a sputtered Ti layer and a benzothiadiazole-based, dopant-free hole-transporting material.

PubMed

Ameen, Sadia; Nazim, M; Akhtar, M Shaheer; Nazeeruddin, Mohammad Khaja; Shin, Hyung-Shik

2017-11-16

This work highlights the utilization of a novel hole-transporting material (HTM) derived from benzothiadiazole: 4-(3,5-bis(trifluoromethyl)phenyl)-7-(5'-hexyl-[2,2'-bithiophen]-5-yl)benzo[c][1,2,5]thiadiazole (CF-BTz-ThR) and aligned TiO 2 nano-bundles (TiO 2 NBs) as the electron transporting layer (ETL) for perovskite solar cells (PSCs). The aligned TiO 2 NBs were grown on titanium (Ti)-coated FTO substrates using a facile hydrothermal method. The newly designed CF-BTz-ThR molecule with suitable highest occupied molecular orbital (HOMO) favored the effective hole injection from perovskite deposited aligned TiO 2 NBs thin film. The PSCs demonstrated a power conversion efficiency (PCE) of ∼15.4% with a short circuit current density (J sc ) of ∼22.42 mA cm -2 and an open circuit voltage (V oc ) of ∼1.02 V. The efficiency data show the importance of proper molecular engineering whilst highlighting the advantages of dopant-free HTMs in PSCs.

Structure and Dynamics of Forsterite-scCO2/H2O Interfaces as a Function of Water Content

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kerisit, Sebastien N.; Weare, John H.; Felmy, Andrew R.

Molecular dynamics (MD) simulations of forsterite surfaces in contact with supercritical carbon dioxide (scCO2) fluids of varying water content were performed to determine the partition of water between the scCO2 fluid and the mineral surface, the nature of CO2 and H2O bonding at the interface, and the regions of the interface that may be conducive to HxCO3(2-x)- formation. Calculations of the free energy of the associative adsorption of water onto the (010) forsterite surface from the scCO2 phase indicated that the formation of a water film up to three-monolayer thick can be exothermic even for water contents below the watermore » saturation concentration of the scCO2 fluid. In MD simulations of scCO2/H2O mixtures in contact with the (010) forsterite surface, H2O was found to readily displace CO2 at the surface and, therefore, CO2 directly contacted the surface only for water coverages below two monolayers. For thicker water films, a two-monolayer hydration layer formed that CO2 could not penetrate. Simulations of the hydroxylated (010) surface and of the (011) surface suggested that this conclusion can be extended to forsterite surfaces with different surface structures and/or compositions. The density, diffusion, and degree of hydration of CO2 as well as the extent of CO2/H2O mixing at the interface were all predicted to depend strongly on the thickness of the water-rich film, i.e., on the water content of the scCO2 fluid.« less

Growth of Ce+3 Doped Oxides by the Traveling Solvent Zone Technique.

DTIC Science & Technology

1983-06-01

ambient 1100 0.05 9 PbTiO3 PbF 2/PbO ambient 1075 0.05 9 In this program, we have evaluated several fluxes for growth of LaA10 3 , LaAll-xMxO3 (M = Sc+ 3...TABLE 2. X-RAY DIFFRACTIN PARAMETERS MEASURED FOR ARC FURNACE SYNTHESIZED LaAIO3 AND LaAl 0 .7Sc0 303 LaAIO3 LaAl 0 .7Sc .303 hkl d(A) d(A) 3.71 3.86

Multilayer article having stabilized zirconia outer layer and chemical barrier layer

NASA Technical Reports Server (NTRS)

Bansal, Narottam P. (Inventor); Lee, Kang N. (Inventor)

2004-01-01

A multilayer article includes a substrate that includes at least one of a ceramic compound and a Si-containing metal alloy. An outer layer includes stabilized zirconia. Intermediate layers are located between the outer layer and the substrate and include a mullite-containing layer and a chemical barrier layer. The mullite-containing layer includes 1) mullite or 2) mullite and an alkaline earth metal aluminosilicate. The chemical barrier layer is located between the mullite-containing layer and the outer layer. The chemical barrier layer includes at least one of mullite, hafnia, hafnium silicate and rare earth silicate (e.g., at least one of RE.sub.2 SiO.sub.5 and RE.sub.2 Si.sub.2 O.sub.7 where RE is Sc or Yb). The multilayer article is characterized by the combination of the chemical barrier layer and by its lack of a layer consisting essentially of barium strontium aluminosilicate between the mullite-containing layer and the chemical barrier layer. Such a barium strontium aluminosilicate layer may undesirably lead to the formation of a low melting glass or unnecessarily increase the layer thickness with concomitant reduced durability of the multilayer article. In particular, the chemical barrier layer may include at least one of hafnia, hafnium silicate and rare earth silicate.

Influence of ligand polarizability on the reversible binding of O2 by trans-[Rh(X)(XNC)(PPh3)2] (X = Cl, Br, SC6F5, C2Ph; XNC = xylyl isocyanide). Structures and a kinetic study.

PubMed

Carlton, Laurence; Mokoena, Lebohang V; Fernandes, Manuel A

2008-10-06

The complexes trans-[Rh(X)(XNC)(PPh 3) 2] (X = Cl, 1; Br, 2; SC 6F 5, 3; C 2Ph, 4; XNC = xylyl isocyanide) combine reversibly with molecular oxygen to give [Rh(X)(O 2)(XNC)(PPh 3) 2] of which [Rh(SC 6F 5)(O 2)(XNC)(PPh 3) 2] ( 7) and [Rh(C 2Ph)(O 2)(XNC)(PPh 3) 2] ( 8) are sufficiently stable to be isolated in crystalline form. Complexes 2, 3, 4, and 7 have been structurally characterized. Kinetic data for the dissociation of O 2 from the dioxygen adducts of 1- 4 were obtained using (31)P NMR to monitor changes in the concentration of [Rh(X)(O 2)(XNC)(PPh 3) 2] (X = Cl, Br, SC 6F 5, C 2Ph) resulting from the bubbling of argon through the respective warmed solutions (solvent chlorobenzene). From data recorded at temperatures in the range 30-70 degrees C, activation parameters were obtained as follows: Delta H (++) (kJ mol (-1)): 31.7 +/- 1.6 (X = Cl), 52.1 +/- 4.3 (X = Br), 66.0 +/- 5.8 (X = SC 6F 5), 101.3 +/- 1.8 (X = C 2Ph); Delta S (++) (J K (-1) mol (-1)): -170.3 +/- 5.0 (X = Cl), -120 +/- 13.6 (X = Br), -89 +/- 18.2 (X = SC 6F 5), -6.4 +/- 5.4 (X = C 2Ph). The values of Delta H (++) and Delta S (++) are closely correlated (R (2) = 0.9997), consistent with a common dissociation pathway along which the rate-determining step occurs at a different position for each X. Relative magnitudes of Delta H (++) are interpreted in terms of differing polarizabilities of ligands X.

Compound ultrarefractory CAI-bearing inclusions from CV3 carbonaceous chondrites

NASA Astrophysics Data System (ADS)

Ivanova, Marina A.; Krot, Alexander N.; Nagashima, Kazuhide; MacPherson, Glenn J.

2012-12-01