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Sample records for perovskite stacking polytypes

  1. Rapid and Nondestructive Identification of Polytypism and Stacking Sequences in Few-Layer Molybdenum Diselenide by Raman Spectroscopy

    SciTech Connect

    Lu, Xin; Utama, M. Iqbal Bakti; Lin, Junhao; Luo, Xin; Zhao, Yanyuan; Zhang, Jun; Pantelides, Sokrates T.; Zhou, Wu; Quek, Su Ying; Xiong, Qihua

    2015-07-02

    Various combinations of interlayer shear modes emerge in few-layer molybdenum diselenide grown by chemical vapor deposition depending on the stacking configuration of the sample. Raman measurements may also reveal polytypism and stacking faults, as supported by first principles calculations and high-resolution transmission electron microscopy. Thus, Raman spectroscopy is an important tool in probing stacking-dependent properties in few-layer 2D materials.

  2. Polytype and stacking faults in the Li2CoSiO4 Li-ion battery cathode.

    PubMed

    Truong, Quang Duc; Devaraju, Murukanahally Kempaiah; Sasaki, Yoshikazu; Hyodo, Hiroshi; Honma, Itaru

    2014-12-01

    Atomic-resolution imaging of the crystal defects of cathode materials is crucial to understand their formation and the correlation between the structure, electrical properties, and electrode performance in rechargeable batteries. The polytype, a stable form of varied crystal structure with uniform chemical composition, holds promise to engineer electronic band structure in nanoscale homojunctions.1-3 Analyzing the exact sites of atoms and the chemistry of the boundary in polytypes would advance our understanding of their formation and properties. Herein, the polytype and stacking faults in the lithium cobalt silicates are observed directly by aberration-corrected scanning transmission electron microscopy. The atomic-scale imaging allows clarification that the polytype is formed by stacking of two different close-packed crystal planes in three-dimensional space. The formation of the polytype was induced by Li-Co cation exchange, the transformation of one phase to the other, and their stacking. This finding provides insight into intrinsic structural defects in an important Li2 CoSiO4 Li-ion battery cathode. PMID:25298300

  3. Anisotropy of Earth's D'' layer and stacking faults in the MgSiO3 post-perovskite phase.

    PubMed

    Oganov, Artem R; Martonák, Roman; Laio, Alessandro; Raiteri, Paolo; Parrinello, Michele

    2005-12-22

    The post-perovskite phase of (Mg,Fe)SiO3 is believed to be the main mineral phase of the Earth's lowermost mantle (the D'' layer). Its properties explain numerous geophysical observations associated with this layer-for example, the D'' discontinuity, its topography and seismic anisotropy within the layer. Here we use a novel simulation technique, first-principles metadynamics, to identify a family of low-energy polytypic stacking-fault structures intermediate between the perovskite and post-perovskite phases. Metadynamics trajectories identify plane sliding involving the formation of stacking faults as the most favourable pathway for the phase transition, and as a likely mechanism for plastic deformation of perovskite and post-perovskite. In particular, the predicted slip planes are {010} for perovskite (consistent with experiment) and {110} for post-perovskite (in contrast to the previously expected {010} slip planes). Dominant slip planes define the lattice preferred orientation and elastic anisotropy of the texture. The {110} slip planes in post-perovskite require a much smaller degree of lattice preferred orientation to explain geophysical observations of shear-wave anisotropy in the D'' layer. PMID:16372006

  4. Mica polytypes: Systematic description and identification

    USGS Publications Warehouse

    Ross, M.; Takeda, H.; Wones, D.R.

    1966-01-01

    X-ray studies of mica specimens from a variety of geological localities show that biotite and certain lithium-rich mica samples are composed of a mixture of different polytypes. Many of the biotite structures are new complex polytypes not before reported. A new method of designating mica polytypes is proposed. Techniques are described for the systematic generation of all the possible layer-stacking sequences of mica polytypes and for the verification of the stacking sequences in newly discovered forms.

  5. Electron Confinement Due to Stacking Control of Atomic Layers in SiC Polytypes: Roles of Floating States and Spontaneous Polarization

    NASA Astrophysics Data System (ADS)

    Matsushita, Yu-ichiro; Furuya, Shinnosuke; Oshiyama, Atsushi

    2014-09-01

    We report on first-principles total-energy electronic-structure calculations that clarify the stability and electronic structures of heterocrystalline superlattices consisting of SiC polytypes. The calculated local density of states unequivocally reveals substantial effects of spontaneous polarization in hexagonal polytypes. The polarization in the hexagonal region renders the band lineup slanted in real space along the stacking direction in the superlattice; furthermore, the counterpolarization in the cubic region makes it slanted in the reverse direction. We find that electrons are confined near the interface in the cubic region and that holes are under a negligible band offset. We also find that the slanted band lineup causes a downward (upward) shift of the conduction (valence) band edge and the band gap becomes narrower than that in the bulk polytype, offsetting the band gap increase due to the quantum confinement. The calculated Kohn-Sham orbitals of the conduction band bottoms distribute not at atomic sites but over interstitial channels in the 3C region, thus showing the floating nature common to sp3-bonded materials. It is found that the penetration of the floating states into the hexagonal region further modifies the band gap.

  6. Distribution of mica polytypes among space groups.

    NASA Technical Reports Server (NTRS)

    Takeda, H.

    1971-01-01

    All the possible space groups for mica polytypes are deduced by making use of the characteristics of the mica unit layer and stacking mode. The algebraic properties of the vector-stacking symbol of Ross et al. (1966) are examined, and a simple algorithm for deducing the space group from this symbol is presented. A method considered for enumerating all possible stacking sequences of mica polytypes makes use of a computer.

  7. Polytypism in superhard transition-metal triborides

    PubMed Central

    Liang, Yongcheng; Yang, Jiong; Yuan, Xun; Qiu, Wujie; Zhong, Zheng; Yang, Jihui; Zhang, Wenqing

    2014-01-01

    The quest of novel compounds with special structures and unusual functionalities continues to be a central challenge to modern materials science. Even though their exact structures have puzzled scientists for decades, superhard transition-metal borides (TMBs) have long been believed to exist only in simple crystal structures. Here, we report on a polytypic phenomenon in superhard WB3 and MoB3 with a series of energetically degenerate structures due to the random stacking of metal layers amongst the interlocking boron layers. Such polytypism can create a multiphase solid-solution compound with a large number of interfaces amongst different polytypes, and these interfaces will strongly hinder the interlayer sliding movement within each polytype, thereby further increase the hardness of this particular material. Furthermore, in contrast to the conventional knowledge that intrinsically strong chemical bonds in superhard materials should lead to high lattice thermal conductivity, the polytypic TMB3 manifest anomalously low lattice thermal conductivity due to structural disorders and phonon folding. These findings promise to open a new avenue to searching for novel superhard materials with additional functionalities. PMID:24863493

  8. Epitaxial growth of hexagonal silicon polytypes on sapphire

    SciTech Connect

    Pavlov, D. A.; Pirogov, A. V. Krivulin, N. O.; Bobrov, A. I.

    2015-01-15

    The formation of a single-crystal silicon polytype is observed in silicon-on-sapphire structures by high-resolution transmission electron microscopy. The appearance of inclusions with a structure different from that of diamond is attributed to the formation of strong-twinning regions and the aggregation of stacking faults, which form their own crystal structure in the crystal lattice of silicon. It is demonstrated that the given modification belongs to the 9R silicon polytype.

  9. Strong Photocurrent from Two-Dimensional Excitons in Solution-Processed Stacked Perovskite Semiconductor Sheets.

    PubMed

    Ahmad, Shahab; Kanaujia, Pawan K; Beeson, Harry J; Abate, Antonio; Deschler, Felix; Credgington, Dan; Steiner, Ullrich; Prakash, G Vijaya; Baumberg, Jeremy J

    2015-11-18

    Room-temperature photocurrent measurements in two-dimensional (2D) inorganic-organic perovskite devices reveal that excitons strongly contribute to the photocurrents despite possessing binding energies over 10 times larger than the thermal energies. The p-type (C6H9C2H4NH3)2PbI4 liberates photocarriers at metallic Schottky aluminum contacts, but incorporating electron- and hole-transport layers enhances the extracted photocurrents by 100-fold. A further 10-fold gain is found when TiO2 nanoparticles are directly integrated into the perovskite layers, although the 2D exciton semiconducting layers are not significantly disrupted. These results show that strong excitonic materials may be useful as photovoltaic materials despite high exciton binding energies and suggest mechanisms to better understand the photovoltaic properties of the related three-dimensional perovskites. PMID:26497547

  10. Strong Photocurrent from Two-Dimensional Excitons in Solution-Processed Stacked Perovskite Semiconductor Sheets

    PubMed Central

    2015-01-01

    Room-temperature photocurrent measurements in two-dimensional (2D) inorganic–organic perovskite devices reveal that excitons strongly contribute to the photocurrents despite possessing binding energies over 10 times larger than the thermal energies. The p-type (C6H9C2H4NH3)2PbI4 liberates photocarriers at metallic Schottky aluminum contacts, but incorporating electron- and hole-transport layers enhances the extracted photocurrents by 100-fold. A further 10-fold gain is found when TiO2 nanoparticles are directly integrated into the perovskite layers, although the 2D exciton semiconducting layers are not significantly disrupted. These results show that strong excitonic materials may be useful as photovoltaic materials despite high exciton binding energies and suggest mechanisms to better understand the photovoltaic properties of the related three-dimensional perovskites. PMID:26497547

  11. Polytypism, polymorphism, and superconductivity in TaSe2–xTex

    DOE PAGESBeta

    Luo, Huixia; Xie, Weiwei; Tao, Jing; Inoue, Hiroyuki; Gyenis, András; Krizan, Jason W.; Yazdani, Ali; Zhu, Yimei; Cava, Robert Joseph

    2015-03-03

    Polymorphism in materials often leads to significantly different physical properties - the rutile and anatase polymorphs of TiO₂ are a prime example. Polytypism is a special type of polymorphism, occurring in layered materials when the geometry of a repeating structural layer is maintained but the layer stacking sequence of the overall crystal structure can be varied; SiC is an example of a material with many polytypes. Although polymorphs can have radically different physical properties, it is much rarer for polytypism to impact physical properties in a dramatic fashion. Here we study the effects of polytypism and polymorphism on the superconductivitymore » of TaSe₂, one of the archetypal members of the large family of layered dichalcogenides. We show that it is possible to access 2 stable polytypes and 2 stable polymorphs in the TaSe2-xTex solid solution, and find that the 3R polytype shows a superconducting transition temperature that is between 6 and 17 times higher than that of the much more commonly found 2H polytype. Thus, the reason for this dramatic change is not apparent, but we propose that it arises either from a remarkable dependence of Tc on subtle differences in the characteristics of the single layers present, or from a surprising effect of the layer stacking sequence on electronic properties that instead are expected to be dominated by the properties of a single layer in materials of this kind.« less

  12. Polytypism, polymorphism, and superconductivity in TaSe(2-x)Te(x).

    PubMed

    Luo, Huixia; Xie, Weiwei; Tao, Jing; Inoue, Hiroyuki; Gyenis, András; Krizan, Jason W; Yazdani, Ali; Zhu, Yimei; Cava, Robert Joseph

    2015-03-17

    Polymorphism in materials often leads to significantly different physical properties--the rutile and anatase polymorphs of TiO2 are a prime example. Polytypism is a special type of polymorphism, occurring in layered materials when the geometry of a repeating structural layer is maintained but the layer-stacking sequence of the overall crystal structure can be varied; SiC is an example of a material with many polytypes. Although polymorphs can have radically different physical properties, it is much rarer for polytypism to impact physical properties in a dramatic fashion. Here we study the effects of polytypism and polymorphism on the superconductivity of TaSe2, one of the archetypal members of the large family of layered dichalcogenides. We show that it is possible to access two stable polytypes and two stable polymorphs in the TaSe(2-x)Te(x) solid solution and find that the 3R polytype shows a superconducting transition temperature that is between 6 and 17 times higher than that of the much more commonly found 2H polytype. The reason for this dramatic change is not apparent, but we propose that it arises either from a remarkable dependence of Tc on subtle differences in the characteristics of the single layers present or from a surprising effect of the layer-stacking sequence on electronic properties that are typically expected to be dominated by the properties of a single layer in materials of this kind. PMID:25737540

  13. Thermal expansion and elastic anisotropies of SiC as related to polytype structure

    NASA Technical Reports Server (NTRS)

    Li, Z.; Bradt, R. C.

    1989-01-01

    The concept of the fraction of hexagonal stacking is used to describe the anisotropic thermal expansion coefficients of polytypes of SiC. The single crystal elastic anisotropy for the SiC polytype structures and the temperature dependencies of the anisotropies are examined. The anisotropic thermoelastic stress index for the 3C and 6H SiC polytypes are illustrated graphically. It is shown that this index is useful for predicting the most desirable crystal growth orientations for SiC whisker incorporation into composite matrices.

  14. Linearly arranged polytypic CZTSSe nanocrystals

    PubMed Central

    Fan, Feng-Jia; Wu, Liang; Gong, Ming; Chen, Shi You; Liu, Guang Yao; Yao, Hong-Bin; Liang, Hai-Wei; Wang, Yi-Xiu; Yu, Shu-Hong

    2012-01-01

    Even colloidal polytypic nanostructures show promising future in band-gap tuning and alignment, researches on them have been much less reported than the standard nano-heterostructures because of the difficulties involved in synthesis. Up to now, controlled synthesis of colloidal polytypic nanocrsytals has been only realized in II-VI tetrapod and octopod nanocrystals with branched configurations. Herein, we report a colloidal approach for synthesizing non-branched but linearly arranged polytypic I2-II-IV-VI4 nanocrystals, with a focus on polytypic non-stoichiometric Cu2ZnSnSxSe4−x nanocrystals. Each synthesized polytypic non-stoichiometric Cu2ZnSnSxSe4−x nanocrystal is consisted of two zinc blende-derived ends and one wurtzite-derived center part. The formation mechanism has been studied and the phase composition can be tuned through adjusting the reaction temperature, which brings a new band-gap tuning approach to Cu2ZnSnSxSe4-x nanocrystals. PMID:23233871

  15. Classification of polytype structures of zinc sulfide

    SciTech Connect

    Laptev, V.I.

    1994-12-31

    It is suggested that the existing classification of polytype structures of zinc sulfide be supplemented with an additional criterion: the characteristic of regular point systems (Wyckoff positions) including their type, number, and multiplicity. The consideration of the Wyckoff positions allowed the establishment of construction principles of known polytype series of different symmetries and the systematization (for the first time) of the polytypes with the same number of differently packed layers. the classification suggested for polytype structures of zinc sulfide is compact and provides a basis for creating search systems. The classification table obtained can also be used for numerous silicon carbide polytypes. 8 refs., 4 tabs.

  16. Thermal expansion and thermal expansion anisotropy of SiC polytypes

    NASA Technical Reports Server (NTRS)

    Li, Z.; Bradt, R. C.

    1987-01-01

    The principal axial coefficients of thermal expansion for the (3C), (4H), and (6H) polytypes of SiC are considered to identify the structural role of the stacking layer sequence as it affects the thermal expansion. A general equation based on the fractions of cubic and hexagonal layer stacking is developed that expresses the principal axial thermal expansion coefficients of all of the SiC polytypes. It is then applied to address the thermal expansion anisotropy of the noncubic SiC structures.

  17. Polytypism, polymorphism, and superconductivity in TaSe2–xTex

    SciTech Connect

    Luo, Huixia; Xie, Weiwei; Tao, Jing; Inoue, Hiroyuki; Gyenis, András; Krizan, Jason W.; Yazdani, Ali; Zhu, Yimei; Cava, Robert Joseph

    2015-03-03

    Polymorphism in materials often leads to significantly different physical properties - the rutile and anatase polymorphs of TiO₂ are a prime example. Polytypism is a special type of polymorphism, occurring in layered materials when the geometry of a repeating structural layer is maintained but the layer stacking sequence of the overall crystal structure can be varied; SiC is an example of a material with many polytypes. Although polymorphs can have radically different physical properties, it is much rarer for polytypism to impact physical properties in a dramatic fashion. Here we study the effects of polytypism and polymorphism on the superconductivity of TaSe₂, one of the archetypal members of the large family of layered dichalcogenides. We show that it is possible to access 2 stable polytypes and 2 stable polymorphs in the TaSe2-xTex solid solution, and find that the 3R polytype shows a superconducting transition temperature that is between 6 and 17 times higher than that of the much more commonly found 2H polytype. Thus, the reason for this dramatic change is not apparent, but we propose that it arises either from a remarkable dependence of Tc on subtle differences in the characteristics of the single layers present, or from a surprising effect of the layer stacking sequence on electronic properties that instead are expected to be dominated by the properties of a single layer in materials of this kind.

  18. Nanostructural and electronic properties of polytypes in InN nanocolumns

    SciTech Connect

    Kioseoglou, J.; Koukoula, T.; Komninou, Ph.; Kehagias, Th.; Georgakilas, A.; Androulidaki, M.

    2013-08-21

    Transmission electron microscopy techniques and density functional theory calculations were employed to investigate the nanostructural and electronic properties of InN polytypes observed in InN nanocolumns, grown on Si(111) by molecular beam epitaxy. Moiré fringes and alternating hexagonal and cubic lattice stacking sequences along the c-axis, observed among the wurtzite layers, implied the presence of different structures embedded in the basic 2H structure of the nanocolumns. Quantitative electron diffraction analysis and high-resolution image simulations verified the coexistence of the wurtzite structure with the 4H, 6H, and the 3C zinc-blende structural polytypes. Total energies calculations established the 2H wurtzite structure as the most stable polytype. The band gap of all polytypes was found direct with the energies and the band gaps of the 4H (E{sub g} = 0.64 eV) and 6H (E{sub g} = 0.60 eV) structures calculated between the corresponding values of the 2H (E{sub g} = 0.75 eV) and 3C (E{sub g} = 0.49 eV) basic structures. Theoretical and experimental analysis showed that at the initial stages of growth InN nanocolumns were under tensile strain along both the basal plane and growth direction. Structural polytypes were then introduced in the form of embedded inclusions to accommodate the excess tensile strain along the growth direction, allowing the entire process of polymorphism to be the dominant strain relaxation mechanism of InN nanocolumns. Moreover, the lattice and energetic properties and band gap values of InN polytypes showed a linear dependence on hexagonality, while the presence of polytypes led to a characteristic broadening of the photoluminescence emission peak toward lower emission energies.

  19. Polytypism in ZnS, ZnSe, and ZnTe: First-principles study

    NASA Astrophysics Data System (ADS)

    Boutaiba, F.; Belabbes, A.; Ferhat, M.; Bechstedt, F.

    2014-06-01

    We report results of first-principles calculations based on the projector augmented wave (PAW) method to explore the structural, thermodynamic, and electronic properties of cubic (3C) and hexagonal (6H, 4H, and 2H) polytypes of II-VI compounds: ZnS, ZnSe, and ZnTe. We find that the different bond stacking in II-VI polytypes remarkably influences the resulting physical properties. Furthermore, the degree of hexagonality is found to be useful to understand both the ground-state properties and the electronic structure of these compounds. The resulting lattice parameters, energetic stability, and characteristic band energies are in good agreement with available experimental data. Trends with hexagonality of the polytype are investigated.

  20. Unit cell structure of crystal polytypes in InAs and InSb nanowires.

    PubMed

    Kriegner, Dominik; Panse, Christian; Mandl, Bernhard; Dick, Kimberly A; Keplinger, Mario; Persson, Johan M; Caroff, Philippe; Ercolani, Daniele; Sorba, Lucia; Bechstedt, Friedhelm; Stangl, Julian; Bauer, Günther

    2011-04-13

    The atomic distances in hexagonal polytypes of III-V compound semiconductors differ from the values expected from simply a change of the stacking sequence of (111) lattice planes. While these changes were difficult to quantify so far, we accurately determine the lattice parameters of zinc blende, wurtzite, and 4H polytypes for InAs and InSb nanowires, using X-ray diffraction and transmission electron microscopy. The results are compared to density functional theory calculations. Experiment and theory show that the occurrence of hexagonal bilayers tends to stretch the distances of atomic layers parallel to the c axis and to reduce the in-plane distances compared to those in zinc blende. The change of the lattice parameters scales linearly with the hexagonality of the polytype, defined as the fraction of bilayers with hexagonal character within one unit cell. PMID:21434674

  1. Perspectives and limitations of symmetric X-ray Bragg reflections for inspecting polytypism in nanowires.

    PubMed

    Köhl, Martin; Schroth, Philipp; Baumbach, Tilo

    2016-03-01

    X-ray diffraction, possibly time-resolved during growth or annealing, is an important technique for the investigation of polytypism in free-standing nanowires. A major advantage of the X-ray diffraction approach for adequately chosen beam conditions is its high statistical significance in comparison with transmission electron microscopy. In this manuscript the interpretation of such X-ray intensity distribution is discussed, and is shown to be non-trivial and non-unique given measurements of the [111]c or [333]c reflection of polytypic nanowires grown in the (111)c direction. In particular, the diffracted intensity distributions for several statistical distributions of the polytypes inside the nanowires are simulated and compared. As an example, polytypic GaAs nanowires are employed, grown on a Si-(111) substrate with an interplanar spacing of the Ga (or As) planes in the wurtzite arrangement that is 0.7% larger than in the zinc blende arrangement along the (111)c direction. Most importantly, ambiguities of high experimental relevance in the case of strongly fluctuating length of the defect-free polytype segments in the nanowires are demonstrated. As a consequence of these ambiguities, a large set of deviations from the widely used Markov model for the stacking sequences of the nanowires cannot be detected in the X-ray diffraction data. Thus, the results here are of high relevance for the proper interpretation of such data. PMID:26917137

  2. Crystal structure of Cr-bearing Mg3BeAl8O16, a new polytype of magnesiotaaffeite-2N'2S.

    PubMed

    Malcherek, Thomas; Schlüter, Jochen

    2016-07-01

    The crystal structure of a new polytype of magnesiotaaffeite-2N'2S, ideally Mg3BeAl8O16 (trimagnesium beryllium octa-aluminium hexa-deca-oxide), is described in space-group symmetry P-3m1. It has been identified in a fragment of a mineral sample from Burma (Myanmar). The new polytype is composed of two Mg2Al4O8 (S)- and two BeMgAl4O8 (N')-modules in a stacking sequence N'SSN'' which differs from the N'SN'S-stacking sequence of the known magnesiotaaffeite-2N'2S polytype. The crystal structure can be derived from a close-packed arrangement of O atoms and is discussed with regard to its polytypism and its Cr(3+) chromophore content. PMID:27555963

  3. Crystal structure of Cr-bearing Mg3BeAl8O16, a new polytype of magnesiotaaffeite-2N′2S

    PubMed Central

    Malcherek, Thomas; Schlüter, Jochen

    2016-01-01

    The crystal structure of a new polytype of magnesiotaaffeite-2N′2S, ideally Mg3BeAl8O16 (trimagnesium beryllium octa­aluminium hexa­deca­oxide), is described in space-group symmetry P-3m1. It has been identified in a fragment of a mineral sample from Burma (Myanmar). The new polytype is composed of two Mg2Al4O8 (S)- and two BeMgAl4O8 (N′)-modules in a stacking sequence N′SSN′′ which differs from the N′SN′S-stacking sequence of the known magnesiotaaffeite-2N′2S polytype. The crystal structure can be derived from a close-packed arrangement of O atoms and is discussed with regard to its polytypism and its Cr3+ chromophore content. PMID:27555963

  4. Electrosynthesis and crystal structure of the new 15R hexagonal perovskite Ba 5MnNa 2V 2O 13

    NASA Astrophysics Data System (ADS)

    Bendraoua, Abdelaziz; Quarez, Eric; Abraham, Francis; Mentré, Olivier

    2004-04-01

    A new manganese oxide Ba 5MnNa 2V 2O 13 with an original structure closely related to the cubic perovskite has been prepared by electrosynthesis in molten NaOH. Its crystal structure has been refined from single crystal X-ray diffraction in the R 3¯m space group, a=5.8490(6) Å, c=36.856(5) Å, Z=3, R1=4.72%, w R2=10.56%. The crystal structure is a rhombohedral 15R polytype and exhibits a close packed structure built up from [BaO 3- δ] ( c) and [BaO 2] ( c') layers within a ( ccc' cc) 3 stacking sequence. The resulting three-dimensional edifice is formed by Ba(Mn 0.33Na 0.67)O 3 cubic perovskite blocks separated by double sheets of V 5+O 4 tetrahedra pointing towards the central [BaO 2] c' layer. In the perovskite blocks, 1/6 of oxygen deficient vacancies located on layers surrounding manganese involve a Mn(IV) valence, in square pyramids rather than octahedra. On the same layers along c, the barium atom split from a central (0,0, z) position to close ( x,- x, z) positions as a compensation of the oxygen deficiency. In this work, a review of the Mn-related perovskite materials found in the literature is reported showing the wide variety of materials adopting related structural polytypes. A building scheme from simple to more complex edifices is also presented by successive intercalation of [BaO n] ( n=1, 2) in order to visualize topological relationships between the number of possible hexagonal perovskite series members.

  5. Two new polytypes of 2,4,6-tri­bromo­benzo­nitrile

    PubMed Central

    Britton, Doyle; Noland, Wayland E.; Tritch, Kenneth J.

    2016-01-01

    Three polymorphs of 2,4,6-tri­bromo­benzo­nitrile (RCN), C7H2Br3N, two of which are novel and one of which is a redetermination of the original structure first determined by Carter & Britton [(1972). Acta Cryst. B28, 945–950] are found to be polytypic. Each has a layer structure which differs only in the stacking of the layers. Each layer is composed of mol­ecules associated through C N⋯Br contacts which form R 2 2(10) rings. Two such rings are associated with each N atom; one with each ortho-Br atom. No new polytypes of 1,3,5-tri­bromo-2-iso­cyano­benzene (RNC) were found but a re-determination of the original structure by Carter et al. [(1977). Cryst. Struct. Commun. 6, 543–548] is presented. RNC was found to be isostructural with one of the novel polytypes of RCN. Unit cells were determined for 23 RCN samples and 11 RNC samples. Polytypes could not be distinguished based on crystal habits. In all four structures, each mol­ecule of the asymmetric unit lies across a mirror plane. PMID:26958382

  6. Polytype distribution in circumstellar silicon carbide.

    SciTech Connect

    Daulton, T. L.; Bernatowicz, T. J.; Lewis, R. S.; Messenger, S.; Stadermann, F. J.; Amari, S.; Materials Science Division; Naval Research Lab.; Washington Univ.; Univ. of Chicago

    2002-06-07

    The inferred crystallographic class of circumstellar silicon carbide based on astronomical infrared spectra is controversial. We have directly determined the polytype distribution of circumstellar SiC from transmission electron microscopy of presolar silicon carbide from the Murchison carbonaceous meteorite. Only two polytypes (of a possible several hundred) were observed: cubic 3C and hexagonal 2H silicon carbide and their intergrowths. We conclude that this structural simplicity is a direct consequence of the low pressures in circumstellar outflows and the corresponding low silicon carbide condensation temperatures.

  7. Polytype distribution in circumstellar silicon carbide.

    PubMed

    Daulton, T L; Bernatowicz, T J; Lewis, R S; Messenger, S; Stadermann, F J; Amari, S

    2002-06-01

    The inferred crystallographic class of circumstellar silicon carbide based on astronomical infrared spectra is controversial. We have directly determined the polytype distribution of circumstellar SiC from transmission electron microscopy of presolar silicon carbide from the Murchison carbonaceous meteorite. Only two polytypes (of a possible several hundred) were observed: cubic 3C and hexagonal 2H silicon carbide and their intergrowths. We conclude that this structural simplicity is a direct consequence of the low pressures in circumstellar outflows and the corresponding low silicon carbide condensation temperatures. PMID:12052956

  8. First-Principles Study of 8H-, 10H-, 12H-, and 18H-SiC Polytypes

    NASA Astrophysics Data System (ADS)

    Kobayashi, Kazuaki; Komatsu, Shojiro

    2012-02-01

    We calculated the electronic and lattice properties of 8H-, 10H-, 12H-, and 18H-SiC polytypes, which are sp3-bonded compounds. A tetrahedral structure is formed by Si and C atoms in their hexagonal polytypes. Their possible symmetries are P63mc and P3m1. All possible structures in the 8H polytype, six structures in the 10H polytype, seven structures in the 12H polytype, and one structure in the 18H polytype were considered. The calculated hexagonalities (H) are 16.7, 20, 25, 33.3, 40, 44.4, 50, 60, 66.7, 75, 80, and 83.3%. Hexagonality is a ratio of the number of hexagonal (h) characters and total number of cubic (c) and h characters in a unit cell. We calculated their electronic properties [i.e., electronic band structures, band gaps, valence band maximum (VBM), and conduction band minimum (CBM)]. All the calculated electronic band structures are nonmetallic and the band gaps are indirect. The lattice properties (i.e., lattice constants and internal coordinates of atoms in the unit cell) were optimized by the total energy pseudopotential method based on the local density approximation (LDA). There is no clear trend in the order of the total energies for the SiC polytype structures. The total energies of three 10H-SiC polytype structures are slightly lower than that of 4H-SiC. One of them, whose stacking sequence is ABCACBCACB (ABC notation) and whose H = 40%, is lower by 2.4 meV/Si2C2 than 4H-SiC, and lowest in the SiC polytype structures calculated by LDA. The Zhdanov notation of 10H-SiC(ABCACBCACB) is ``3322''. As for the 2H-, 3C-, 4H-, 6H-, 8H-, and 10H-SiC polytypes, we obtained their electronic and lattice properties using the total energy pseudopotential method based on the generalized gradient approximation (GGA) for comparison with the LDA results.

  9. Monte Carlo study of the hetero-polytypical growth of cubic on hexagonal silicon carbide polytypes

    NASA Astrophysics Data System (ADS)

    Camarda, Massimo

    2012-08-01

    In this article we use three dimensional kinetic Monte Carlo simulations on super-lattices to study the hetero-polytypical growth of cubic silicon carbide polytype (3C-SiC) on misoriented hexagonal (4H and 6H) substrates. We analyze the quality of the 3C-SiC film varying the polytype, the miscut angle and the initial surface morphology of the substrate. We find that the use of 6H misoriented (4°-10° off) substrates, with step bunched surfaces, can strongly improve the quality of the cubic epitaxial film whereas the 3C/4H growth is affected by the generation of dislocations, due to the incommensurable periodicity of the 3C (3) and the 4H (4) polytypes. For these reasons, a proper pre-growth treatment of 6H misoriented substrates can be the key for the growth of high quality, twin free, 3C-SiC films.

  10. 15R SrMn(1-)(x)()Fe(x)()O(3)(-)(delta) (x approximately 0.1); A New Perovskite Stacking Sequence.

    PubMed

    Cussen, Edmund J.; Sloan, Jeremy; Vente, Jaap F.; Battle, Peter D.; Gibb, Terence C.

    1998-11-16

    A polycrystalline sample of a new phase in the Sr-Fe-Mn-O system has been prepared by standard solid-state techniques. Characterization at room temperature by X-ray diffraction, high-resolution electron microscopy, Mössbauer spectroscopy and neutron diffraction has led to it being described as a 15-layered, rhombohedral (15R) perovskite [space group R&thremacr;m: a = 5.4489(1) Å, c = 33.8036(7) Å] with a previously unobserved structure. The pseudo close-packed SrO(3) layers have a (cchch)(3) stacking sequence such that the occupation of the interstitial 6-coordinate sites by Mn (or Fe) leads to the formation of Mn(2)O(9) units which are linked to each other either directly by a common vertex, or indirectly via a single, vertex-sharing MnO(6) octahedron. The stoichiometry of the compound was determined to be SrMn(0.915(5))Fe(0.085(5))O(2.979(3)). The face-sharing sites are occupied by 0.957(3)Mn/0.043(3)Fe while the exclusively corner-linked sites show a higher Fe occupation; 0.745(4)Mn/ 0.255(4)Fe. A neutron diffraction experiment carried out at 3 K indicated the presence of long-range magnetic order with the Mn(4+) cations aligned antiferromagnetically with an ordered moment of 2.26(3)&mgr;(B)/Mn(4+). Both the neutron and the susceptibility data are consistent with the Fe cations remaining magnetically disordered to 3 K. The latter data show T(N) = 220 K, and suggest that some spin frustration is present at low temperatures. PMID:11670745

  11. Kaolin polytypes revisited ab initio.

    PubMed

    Mercier, Patrick H J; Le Page, Yvon

    2008-04-01

    The well known 36 distinguishable transformations between adjacent kaolin layers are split into 20 energetically distinguishable transformations (EDT) and 16 enantiomorphic transformations, hereafter denoted EDT*. For infinitesimal energy contribution of interactions between non-adjacent layers, the lowest-energy models must result from either (a) repeated application of an EDT or (b) alternate application of an EDT and its EDT*. All modeling, quantum input preparation and interpretation was performed with Materials Toolkit, and quantum optimizations with VASP. Kaolinite and dickite are the lowest-energy models at zero temperature and pressure, whereas nacrite and HP-dickite are the lowest-enthalpy models under moderate pressures based on a rough enthalpy/pressure graph built from numbers given in the supplementary tables. Minor temperature dependence of this calculated 0 K graph would explain the bulk of the current observations regarding synthesis, diagenesis and transformation of kaolin minerals. Other stackings that we list have energies so competitive that they might crystallize at ambient pressure. A homometric pair of energetically distinguishable ideal models, one of them for nacrite, is exposed. The printed experimental structure of nacrite correctly corresponds to the stable member of the pair. In our opinion, all recent literature measurements of the free energy of bulk kaolinite are too negative by approximately 15 kJ mol(-1) for some unknown reason. PMID:18369284

  12. Polytype-selective growth of SiC by supersaturation control in solution growth

    NASA Astrophysics Data System (ADS)

    Seki, Kazuaki; Alexander; Kozawa, Shigeta; Harada, Shunta; Ujihara, Toru; Takeda, Yoshikazu

    2012-12-01

    We realized the polytype-selective growth of 3C-SiC and 6H-SiC on a 6H-SiC (0 0 0 1) seed crystal by controlling the supersaturation. Both 6H-SiC and 3C-SiC grew on the 6H-SiC seed crystal at low supersaturation, but 3C-SiC increased with increasing supersaturation. At high supersaturation, 3C-SiC grew so rapidly that it completely covered the 6H-SiC seed crystal. The growth rates of 3C-SiC and 6H-SiC have different dependences on supersaturation. In the present case, the growth rate of 3C-SiC in 2D nucleation mode is compared with that of 6H-SiC in spiral growth mode. The present kinetic polytype-control technique is based on polytypes having different growth rates and it differs considerably from the conventional technique that is based on "inheritance" of stacking sequence, which is well known as "step-controlled epitaxy".

  13. Strain effects in polytypical wurtzite/zinc-blend nanowhiskers

    NASA Astrophysics Data System (ADS)

    Sipahi, Guilherme; Faria, Paulo

    2012-02-01

    The recent interest on III-V nanowhiskers has led to the growth of high quality samples of systems with two different crystalline structures [1]. The crystals grown in [111]-direction for the zinc-blend (ZB) phase and [0001]-direction for the wurtzite (WZ) phase are very similar and can both be described as stacked hexagonal layers. The effect of two different structural phases coexisting in the same nanostrucure is known as polytypism and creates confinement profiles similar to a heterostructure. One can notice band offsets at the interface and the formation of electronic minibands that can be explored to design systems for device applications. Although some of the III-V compounds do not present WZ structure in bulk form, recent calculations [2] presented a theoretical prediction of their band structure. However, as they considered that ZB and WZ to have the same lattice parameters no strain effects should appear on a first approach. Our theoretical approach introduces strain effects in our previous model [3] by using group theory arguments. It allows the analysis of the biaxial strain effects for both structures in a single matrix. [1] P. Caroff et al. Nature Nanotech. 4, 50, 2009. [2] A. De and C. E. Pryor, Phys. Rev. B 81, 155210, 2010 [3] http://arxiv.org/abs/1012.022

  14. Nucleation and growth of polytypic-layered crystals from the network liquid zinc chloride

    NASA Astrophysics Data System (ADS)

    Wilson, Mark

    2003-06-01

    The liquid to solid crystallization for zinc (II) chloride is studied by molecular dynamics computer simulation. The transition is unusual in that it involves a change from a three-dimensional network liquid structure to a pseudo-two-dimensional layered crystal. The crystallization events are observed from four distinct liquid starting configurations and are identified by reference to the time evolution of the system energetics and Bragg peaks associated with the cation layering. Order parameters and molecular graphics are applied to understand the transitions at an atomistic length scale. Mechanisms are presented for the initial layer growth, the coherent joining of the layered crystallites, and the destruction of high-energy grain boundaries. The growth kinetics are analyzed by defining times for catastrophic and critical nucleation. The final crystal structures are shown to have essentially random anion close-packed stacking sequences consistent with the large number of experimentally observed polytypic structures. The formation of grain boundary stacking faults is also observed.

  15. Copper thiocyanate: polytypes, defects, impurities, and surfaces.

    PubMed

    Tsetseris, Leonidas

    2016-07-27

    Copper thiocyanate (CuSCN) is an established solid state dye in solar cells and has emerged as a key material for applications in transparent conductors and solution-processed thin film transistors. Here we report the results of density-functional theory calculations on several fundamental properties related to the performance of CuSCN in the above-mentioned systems. We describe the structural and electronic properties of CuSCN phases and show that the material is prone to polytypism. We also perform a systematic study on various defects and hydrogen impurities and determine their effect on the electronic properties of the host system, particularly with respect to doping. Finally, we show that non-polar surfaces have low formation energies, suggesting easy cleavage along certain directions. PMID:27248787

  16. Copper thiocyanate: polytypes, defects, impurities, and surfaces

    NASA Astrophysics Data System (ADS)

    Tsetseris, Leonidas

    2016-07-01

    Copper thiocyanate (CuSCN) is an established solid state dye in solar cells and has emerged as a key material for applications in transparent conductors and solution-processed thin film transistors. Here we report the results of density-functional theory calculations on several fundamental properties related to the performance of CuSCN in the above-mentioned systems. We describe the structural and electronic properties of CuSCN phases and show that the material is prone to polytypism. We also perform a systematic study on various defects and hydrogen impurities and determine their effect on the electronic properties of the host system, particularly with respect to doping. Finally, we show that non-polar surfaces have low formation energies, suggesting easy cleavage along certain directions.

  17. Coexistence of multiple metastable polytypes in rhombohedral bismuth

    PubMed Central

    Shu, Yu; Hu, Wentao; Liu, Zhongyuan; Shen, Guoyin; Xu, Bo; Zhao, Zhisheng; He, Julong; Wang, Yanbin; Tian, Yongjun; Yu, Dongli

    2016-01-01

    Derivative structural polytypes coexisting with the rhombohedral A7 structure of elemental bismuth (Bi) have been discovered at ambient condition, based on microstructure analyses of pure Bi samples treated under high pressure and high temperature conditions. Three structures with atomic positions close to those of the A7 structure have been identified through first-principles calculations, showing these polytypes energetically comparable to the A7 structure under ambient condition. Simulated diffraction data are in excellent agreement with the experimental observations. We argue that previously reported some variations of physical properties (e.g., density, electrical conductivity, and magnetism) in bismuth could be due to the formation of these polytypes. The coexistence of metastable derivative structural polytypes may be a widely occurring phenomenon in other elemental materials. PMID:26883895

  18. Polytypism and unexpected strong interlayer coupling in two-dimensional layered ReS2.

    PubMed

    Qiao, Xiao-Fen; Wu, Jiang-Bin; Zhou, Linwei; Qiao, Jingsi; Shi, Wei; Chen, Tao; Zhang, Xin; Zhang, Jun; Ji, Wei; Tan, Ping-Heng

    2016-04-21

    Anisotropic two-dimensional (2D) van der Waals (vdW) layered materials, with both scientific interest and application potential, offer one more dimension than isotropic 2D materials to tune their physical properties. Various physical properties of 2D multi-layer materials are modulated by varying their stacking orders owing to significant interlayer vdW coupling. Multilayer rhenium disulfide (ReS2), a representative anisotropic 2D material, was expected to be randomly stacked and lack interlayer coupling. Here, we demonstrate two stable stacking orders, namely isotropic-like (IS) and anisotropic-like (AI) N layer (NL, N > 1) ReS2 are revealed by ultralow- and high-frequency Raman spectroscopy, photoluminescence and first-principles density functional theory calculation. Two interlayer shear modes are observed in AI-NL-ReS2 while only one shear mode appears in IS-NL-ReS2, suggesting anisotropic- and isotropic-like stacking orders in IS- and AI-NL-ReS2, respectively. This explicit difference in the observed frequencies identifies an unexpected strong interlayer coupling in IS- and AI-NL-ReS2. Quantitatively, the force constants of them are found to be around 55-90% of those of multilayer MoS2. The revealed strong interlayer coupling and polytypism in multi-layer ReS2 may stimulate future studies on engineering physical properties of other anisotropic 2D materials by stacking orders. PMID:27035503

  19. Microscopic view of the role of repeated polytypism in self-organization of hierarchical nanostructures

    NASA Astrophysics Data System (ADS)

    Liu, Ming; Ma, Guo-Bin; Xiong, Xiang; Wang, Zhao-Wu; Peng, Ru-Wen; Zheng, Jian-Guo; Shu, Da-Jun; Zhang, Zhenyu; Wang, Mu

    2013-02-01

    In this article we report our experimental observations that the repeated polytypism of wurtzite (WZ) and zinc-blende (ZB) phases induced by the fluctuation of the density of stacking faults can lead to the self-organized formation of ZnO hierarchical nanostructures characterized by a hexagonal central trunk decorated with thin blades. The blades epitaxially nucleate on the ZB stripes assisted by the reentrant corners at the ZB-WZ interfaces. Consequently, the blades keep a fixed angle with respect to the central trunk and resemble two sets of mutually intercalated propellers, each set possessing its own threefold rotational symmetry and being rotated for 60∘ with respect to each other. We also study the optical properties of such novel structures, and show through numerical simulations that the blades provide the essential boundary conditions to establish the resonant electromagnetic responses in the hierarchical nanostructures.

  20. Fabrication of heterostructures based on layered nanocrystalline silicon carbide polytypes

    SciTech Connect

    Semenov, A. V. Lopin, A. V.; Puzikov, V. M.; Baumer, V. N.; Dmitruk, I. N.

    2010-06-15

    The study demonstrates the possibility of forming heterostructures consisting of nanocrystalline SiC layers of the cubic 3C polytype (the lower layer on the substrate) and the rhombohedral 21R polytype (the upper layer) by direction deposition of nanocrystalline SiC layers onto a substrate subjected to gradient heating. The structure and order of arrangement of the SiC layers are analyzed in detail by X-ray diffraction studies, femtosecond photoluminescence measurements, and optical spectroscopy. The nature of the peaks observed in the photoluminescence, optical reflectance, and absorption spectra is discussed.

  1. Interband polarized absorption in InP polytypic superlattices

    SciTech Connect

    Faria Junior, P. E.; Sipahi, G. M.; Campos, T.

    2014-11-21

    Recent advances in growth techniques have allowed the fabrication of semiconductor nanostructures with mixed wurtzite/zinc-blende crystal phases. Although the optical characterization of these polytypic structures is well reported in the literature, a deeper theoretical understanding of how crystal phase mixing and quantum confinement change the output linear light polarization is still needed. In this paper, we theoretically investigate the mixing effects of wurtzite and zinc-blende phases on the interband absorption and in the degree of light polarization of an InP polytypic superlattice. We use a single 8 × 8 k⋅p Hamiltonian that describes both crystal phases. Quantum confinement is investigated by changing the size of the polytypic unit cell. We also include the optical confinement effect due to the dielectric mismatch between the superlattice and the vaccum and we show it to be necessary to match experimental results. Our calculations for large wurtzite concentrations and small quantum confinement explain the optical trends of recent photoluminescence excitation measurements. Furthermore, we find a high sensitivity to zinc-blende concentrations in the degree of linear polarization. This sensitivity can be reduced by increasing quantum confinement. In conclusion, our theoretical analysis provides an explanation for optical trends in InP polytypic superlattices, and shows that the interplay of crystal phase mixing and quantum confinement is an area worth exploring for light polarization engineering.

  2. Second-harmonic generation in silicon carbide polytypes

    NASA Astrophysics Data System (ADS)

    Niedermeier, S.; Schillinger, H.; Sauerbrey, R.; Adolph, B.; Bechstedt, F.

    1999-08-01

    We report simultaneous measurements and ab initio calculations of the second-order nonlinear coefficients for SiC polytypes. Our measured values for χzzz (χzxx) are 18 (-4) pm/V for 4H SiC and 24 (-4) pm/V for 6H SiC. They are in good agreement with our theoretical results.

  3. Combinatorial approaches to understanding polytypism in III-V nanowires.

    PubMed

    Johansson, Jonas; Bolinsson, Jessica; Ek, Martin; Caroff, Philippe; Dick, Kimberly A

    2012-07-24

    Polytypism in III-V semiconductor nanowires is a topic that has received considerable attention in recent years. Achieving a pure nanowire crystal phase requires well-controlled and advanced parameter tuning for most III-V materials. Additionally, the new and unusual phases sometimes observed may present unique material properties if they can be controllably fabricated. With the prospect of using nanowires in applications within several different fields (including electronics, photonics, and life science), theoretical models are necessary to explain experimental trends and to attain a high level of crystal phase control. At present, there is no theoretical model (or combination of models) that fully explains how and why nanowire crystal structures commonly include several different polytypes. Here we use combinatorics and interlayer interactions to include higher order polytypes (4H and 6H) with the aim to explain nanowire crystal structure beyond the well-investigated zinc blende-wurtzite polytypism. Predictions from our theoretical models compare well with experimental results. PMID:22681568

  4. Polytypism and unexpected strong interlayer coupling in two-dimensional layered ReS2

    NASA Astrophysics Data System (ADS)

    Qiao, Xiao-Fen; Wu, Jiang-Bin; Zhou, Linwei; Qiao, Jingsi; Shi, Wei; Chen, Tao; Zhang, Xin; Zhang, Jun; Ji, Wei; Tan, Ping-Heng

    2016-04-01

    Anisotropic two-dimensional (2D) van der Waals (vdW) layered materials, with both scientific interest and application potential, offer one more dimension than isotropic 2D materials to tune their physical properties. Various physical properties of 2D multi-layer materials are modulated by varying their stacking orders owing to significant interlayer vdW coupling. Multilayer rhenium disulfide (ReS2), a representative anisotropic 2D material, was expected to be randomly stacked and lack interlayer coupling. Here, we demonstrate two stable stacking orders, namely isotropic-like (IS) and anisotropic-like (AI) N layer (NL, N > 1) ReS2 are revealed by ultralow- and high-frequency Raman spectroscopy, photoluminescence and first-principles density functional theory calculation. Two interlayer shear modes are observed in AI-NL-ReS2 while only one shear mode appears in IS-NL-ReS2, suggesting anisotropic- and isotropic-like stacking orders in IS- and AI-NL-ReS2, respectively. This explicit difference in the observed frequencies identifies an unexpected strong interlayer coupling in IS- and AI-NL-ReS2. Quantitatively, the force constants of them are found to be around 55-90% of those of multilayer MoS2. The revealed strong interlayer coupling and polytypism in multi-layer ReS2 may stimulate future studies on engineering physical properties of other anisotropic 2D materials by stacking orders.Anisotropic two-dimensional (2D) van der Waals (vdW) layered materials, with both scientific interest and application potential, offer one more dimension than isotropic 2D materials to tune their physical properties. Various physical properties of 2D multi-layer materials are modulated by varying their stacking orders owing to significant interlayer vdW coupling. Multilayer rhenium disulfide (ReS2), a representative anisotropic 2D material, was expected to be randomly stacked and lack interlayer coupling. Here, we demonstrate two stable stacking orders, namely isotropic-like (IS) and

  5. Determining polytype composition of silicon carbide films by UV ellipsometry

    NASA Astrophysics Data System (ADS)

    Kukushkin, S. A.; Osipov, A. V.

    2016-02-01

    A universal ellipsometric model is proposed that describes the optical properties of silicon carbide (SiC) films grown on Si substrates by the method of atomic substitution due to a chemical reaction between the substrate and gaseous carbon monoxide. According to the proposed three-layer model, Si concentration decreases in a stepwise manner from the substrate to SiC film surface. The ellipsometric curves of SiC/Si(111), SiC/Si(100), and SiC/Si(110) samples grown under otherwise identical conditions have been measured in a 1.35-9.25 eV range using a VUV-VASE (J.A. Woollam Co.) ellipsometer with a rotating analyzer. Processing of the obtained spectra in the framework of the proposed model allowed the polytype composition of SiC films to be determined for the first time. It is established that SiC grown on Si(111) is predominantly cubic, while SiC on Si(110) is predominantly hexagonal (with cubic polytype admixture) and SiC on Si(100) has a mixed polytype composition.

  6. Polytypic Nanocrystals of Cu-Based Ternary Chalcogenides: Colloidal Synthesis and Photoelectrochemical Properties.

    PubMed

    Wu, Liang; Chen, Shi-You; Fan, Feng-Jia; Zhuang, Tao-Tao; Dai, Chen-Min; Yu, Shu-Hong

    2016-05-01

    Heterocrystalline polytype nanostructured semiconductors have been attracting more and more attention in recent years due to their novel structures and special interfaces. Up to now, controlled polytypic nanostructures are mostly realized in II-VI and III-V semiconductors. Herein, we report the synthesis and photoelectrochemical properties of Cu-based ternary I-III-VI2 chalcogenide polytypic nanocrystals, with a focus on polytypic CuInS2 (CIS), CuInSe2 (CISe), and CuIn(S0.5Se0.5)2 alloy nanocrystals. Each obtained polytypic nanocrystal is constructed with a wurtzite hexagonal column and a zinc blende/chalcopyrite cusp, regardless of the S/Se ratio. The growth mechanisms of polytypic CIS and CISe nanocrystals have been studied by time-dependent experiments. The polytypic nanocrystals are solution-deposited on indium-tin oxide glass substrate and used as a photoelectrode, thus showing stable photoelectrochemical activity in aqueous solution. Density functional theory calculation was used to study the electronic structure and the band gap alignment. This versatile synthetic method provides a new route for synthesis of novel polytypic nanostructured semiconductors with unique properties. PMID:27063512

  7. Study of silicon carbide (SiC) polytype heterojunctions

    NASA Astrophysics Data System (ADS)

    Eshun, Ebenezer Emmanuel

    2001-12-01

    The results of a study of the chemical vapor deposition (CVD) growth and characterization of SiC polytype heterojunctions are presented. Device quality alpha-SiC has been grown at 1580°C, with p-type background between 6 x 1014cm-3 and 5 x 1015cm-3. N-type device layers have also been grown using nitrogen as a dopant gas. These materials were characterized by various methods including photoluminescence, atomic force microscopy, scanning electron microscopy, secondary ion mass spectroscopy, reflection high energy electron diffraction, C-V and I-V measurements. The above results along with a pre-growth hydrogen/propane etch study were used as a baseline for developing a growth process for the SiC polytype heterojunctions. High quality heterojunctions have been obtained with almost no polytype inclusions. Characterizations were performed to study the heterojunctions, which included an oxidation study to map polytype inclusions in the layers grown under different conditions resulting in a high (>95%) polytype homogeneity. Transmission electron microscopy (TEM) shows no visible defects and/or columnar growth features, a sign of high quality crystalline films. TEM diffraction patterns obtained are very strong, further indicating high quality 3C-SiC epitaxial layers. X-ray rocking and reciprocal space mapping (RSM) were further used in characterizing the SiC polytype heterojunctions. The FWHM of the x-ray scans are very narrow, between 0.01° and 0.02°, an excellent figure further indicating high quality crystalline 3C-SiC epitaxial layers. Iso-intensity contours from the RSM show very little broadening in o which is due to the mosaic nature of the samples. The o-2theta direction shows almost no broadening implying that there is almost no strain in the material. In addition, the electrical quality of the heterojunctions was obtained by the fabrication and characterization of MESFETs made by growing a 0.6 mum n-type 3C-SiC on a semi-insulating 4H-SiC substrate

  8. Effect of van der Waals interactions on the stability of SiC polytypes

    NASA Astrophysics Data System (ADS)

    Kawanishi, Sakiko; Mizoguchi, Teruyasu

    2016-05-01

    Density functional theory calculations with a correction of the long-range dispersion force, namely, the van der Waals (vdW) force, are performed for SiC polytypes. The lattice parameters are in good agreement with those obtained from the experiments. Furthermore, the stability of the polytypes in the experiments, which show 3C-SiC as the most stable, is reproduced by the present calculations. The effects of the vdW force on the electronic structure and the stability of polytypes are discussed. We observe that the vdW interaction is more sensitive to the cubic site than the hexagonal site. Thus, the influence of the vdW force increases with decreasing the hexagonality of the polytype, which results in the confirmation that the most stable polytype is 3C-SiC.

  9. Orientation, alignment, and polytype control in epitaxial growth of SiC nanowires for electronics application in harsh environments

    NASA Astrophysics Data System (ADS)

    Koshka, Yaroslav; Thirumalai, Rooban Venkatesh K. G.; Krishnan, Bharat K.; Levin, Igor; Merrett, J. Neil; Davydov, Albert V.

    2013-09-01

    SiC nanowires (NWs) are attractive building blocks for the next generation electronic devices since silicon carbide is a wide bandgap semiconductor with high electrical breakdown strength, radiation resistance, mechanical strength, thermal conductivity, chemical stability and biocompatibility. Epitaxial growth using metal-catalyst-based vapor-liquid-solid mechanism was employed for SiC NW growth in this work. 4H-SiC substrates having different crystallographic orientations were used in order to control NW alignment and polytype. A new technique based on vapor-phase delivery of the metal catalyst was developed to facilitate control of the NW density. Both 4H and 3C polytypes with a strong stacking disorder were obtained. The 4H and 3C NWs had different orientations with respect to the substrate. 4H NWs grew perpendicular to the c-plane of the substrate. The stacking faults (SFs) in these nanowires were perpendicular to the [0001] nanowire axes. All 3C NWs grew at 20° with respect to the substrate c-plane, and their projections on the c-plane corresponded to one of the six equivalent ⟨101-0⟩ crystallographic directions. All six orientations were obtained simultaneously when growing NWs on the (0001) substrate surface, while only one or two NW orientations were observed when growing NWs on any particular crystallographic plane parallel to the c-axis of the substrate. Growth on {101-0} surfaces resulted in only one NW orientation, thereby producing well-aligned NW arrays. Preliminary measurements of the NW electrical conductivity are reported utilizing two-terminal device geometry.

  10. Properties of interfaces between cubic and hexagonal polytypes of silicon carbide

    NASA Astrophysics Data System (ADS)

    Raffy, C.; Furthmüller, J.; Bechstedt, F.

    2002-12-01

    We present ab initio calculations of the properties of two types of interface between the cubic and hexagonal (wurtzite) polytypes of silicon carbide. The results are derived from density-functional calculations within the local-density approximation and the pseudopotential-plane-wave approach. We first study the interface along the (111) plane (corresponding to (0001) in the hexagonal representation) perpendicular to the stacking axis of the bilayers. Then we consider the interface along the (115) plane, which was already identified experimentally as a grain boundary in silicon and germanium. The (115) interfaces are especially interesting, since they may contribute to a quantum wire consisting of an inclusion of cubic SiC in hexagonal SiC. They are made up of five-and seven-membered atom rings and are free of dangling bonds. The cubic and hexagonal grains are tilted with respect to one another by an angle of 38.94°. In both cases of interfaces, the electronic properties are discussed. Whereas the (111) interface induces practically no states in the bulk fundamental gaps, the particular structure of the (115) interface generates a lot of states, resulting in a metallic behaviour.

  11. Confinement in thickness-controlled GaAs polytype nanodots.

    PubMed

    Vainorius, Neimantas; Lehmann, Sebastian; Jacobsson, Daniel; Samuelson, Lars; Dick, Kimberly A; Pistol, Mats-Erik

    2015-04-01

    Polytype nanodots are arguably the simplest nanodots than can be made, but their technological control was, up to now, challenging. We have developed a technique to produce nanowires containing exactly one polytype nanodot in GaAs with thickness control. These nanodots have been investigated by photoluminescence, which has been cross-correlated with transmission electron microscopy. We find that short (4-20 nm) zincblende GaAs segments/dots in wurtzite GaAs confine electrons and that the inverse system confines holes. By varying the thickness of the nanodots we find strong quantum confinement effects which allows us to extract the effective mass of the carriers. The holes at the top of the valence band have an effective mass of approximately 0.45 m0 in wurtzite GaAs. The thinnest wurtzite nanodot corresponds to a twin plane in zincblende GaAs and gives efficient photoluminescence. It binds an exciton with a binding energy of roughly 50 meV, including central cell corrections. PMID:25761051

  12. Characterization of the Waukesha Illite: A mixed-polytype illite in the Clay Mineral Society repository

    USGS Publications Warehouse

    Grathoff, Georg H.; Moore, D.M.

    2002-01-01

    The Waukesha Illite is an excellent example of the illites found in argillaceous rocks, typical for Paleozoic shales that have undergone significant burial diagenesis during their geologic history. It consists of a mixture of detrital 2M1, interpreted to be a residuum of karstification within Silurian carbonates, and diagenetic 1M and 1Md illite. The chemistry and the age of the illite polytypes are different. Extrapolating to 100%, the 1M and 1Md polytypes have an apparent diagenetic age between 295 and 325 Ma. The chemistry of the 1M polytype could not be determined because of its low abundance. The approximate chemical composition of the 1Md polytype is 0.67 K, 3.6 Si, and 1.9 Al per half unit cell. The 2M1 polytype has an apparent detrital age between 440 and 520 Ma, and an approximate chemical composition per half unit cell of 0.78 K, 3.4 Si, and 2.1 Al, all within our margin of error. X-ray diffraction (XRD) results of both random powder and oriented preparations both indicate that the Waukesha Illite consists of a mixture of illites. The XRD patterns of the random powder preparation indicate it is a physical mixture of three different illite polytypes. This result was confirmed using 3 different methods: (1) by measuring illite polytype-specific reflections; (2) by mixing illite polytype reference samples; and (3) by mixing WILDFIRE calculated XRD patterns. Decomposition of the illite 001 XRD peak from oriented preparations also indicates mixtures of illites. However, the proportions of the three illitic components derived from the oriented 001 peak decomposition differ from those results derived from the analysis of the random powder data. Therefore, the shape of the 001 reflection of the Waukesha Illite cannot be explained by mixing the three different illite polytypes.

  13. Graphanes: Sheets and stacking under pressure

    SciTech Connect

    Wen, Xiao-Dong; Hand, Louis; Labet, Vanessa; Yang, Tao; Hoffmann, Roald; Ashcroft, N. W.; Oganov, Artem R.; Lyakhov, Andriy O.

    2011-04-26

    Eight isomeric two-dimensional graphane sheets are found in a theoretical study. Four of these nets—two built on chair cyclohexanes, two on boat—are more stable thermodynamically than the isomeric benzene, or polyacetylene. Three-dimensional crystals are built up from the two-dimensional sheets, and their hypothetical behavior under pressure (up to 300 GPa) is explored. While the three-dimensional graphanes remain, as expected, insulating or semiconducting in this pressure range, there is a remarkable inversion in stability of the five crystals studied. Two stacking polytypes that are not the most stable at ambient pressure (one based on an unusual chair cyclohexane net, the other on a boat) are significantly stabilized with increasing pressure relative to stackings of simple chair sheets. The explanation may lie in the balance on intra and intersheet contacts in the extended arrays.

  14. Novel heterostructured Ge nanowires based on polytype transformation.

    PubMed

    Vincent, Laetitia; Patriarche, Gilles; Hallais, Géraldine; Renard, Charles; Gardès, Cyrille; Troadec, David; Bouchier, Daniel

    2014-08-13

    We report on a strain-induced phase transformation in Ge nanowires under external shear stresses. The resulted polytype heterostructure may have great potential for photonics and thermoelectric applications. ⟨111⟩-oriented Ge nanowires with standard diamond structure (3C) undergo a phase transformation toward the hexagonal diamond phase referred as the 2H-allotrope. The phase transformation occurs heterogeneously on shear bands along the length of the nanowire. The structure meets the common phenomenological criteria of a martensitic phase transformation. This point is discussed to initiate an on going debate on the transformation mechanisms. The process results in unprecedented quasiperiodic heterostructures 3C/2H along the Ge nanowire. The thermal stability of those 2H domains is also studied under annealing up to 650 °C by in situ TEM. PMID:24988041

  15. Polytypism in wagnerite, Mg2PO4(F,OH)

    NASA Astrophysics Data System (ADS)

    Chopin, C.; Armbruster, T.; Leyx, C.

    2003-04-01

    The Mg, Fe and Mn phosphates with formula Me2+_2PO_4(F,OH) belong to two groups which share the same fundamental monoclinic structure type, but in one of which the b parameter is doubled. Specifically, magniotriplite (Mg), zwieselite (Fe) and triplite (Mn) are F-dominant and have space group I2/a, with Z = 8, b_0 ≈ 6.5 Å, whereas wagnerite (Mg, F dominant), wolfeite (Fe, OH dominant) and triploidite (Mn, OH dominant) have space group P2_1/a, Z = 16 and b = 2 b_0 ≈ 13 Å. In I2/a magniotriplite, eight F atoms are distributed over two eightfold equipoints with 50% occupancy. Periodic ordering of the F atoms into each of these equipoint positions (say A and B), each alternately void and fully occupied along b, leads to a new, double cell with space group P2_1/a and a 2b_0 parameter, i.e. the wagnerite cell, in which the succession of the occupied F positions along b is ABAB (Tadini 1981). Ren et al. (2002) reported from granulite-facies rocks of East Antarctica a wagnerite "polymorph" structurally very close to wagnerite, but with space group Ia, b = 5b_0 ≈ 32 Å and Z = 40. We studied wagnerite crystals from granulite-facies rocks of central Australia (Vry and Cartwright 1994). CCD area-detector imaging revealed either 7b_0 ≈ 45 Å or 9b_0 ≈ 57 Å superstructures (Z = 56 and 72, respectively). The structure of the 9b_0 phase was refined in space group Ia to R = 6% from 11903 unique reflections. We show that wagnerite and the 5b_0, 7b_0 and 9b_0 phases share the same topological arrangement of cations and oxygen atoms, differ only by the periodic faulting of the A-B succession of the F atoms along b, and are all members of a polytypic series based on the magniotriplite cell (b_0). The relevant polytypes and F ordering schemes are wagnerite-a2bc (AB), wagnerite-a5bc (ABAAB), wagnerite-a7bc (ABAABAB) and wagnerite-a9bc (ABAABABAB). Reinvestigation of OH-rich wagnerite from Miregn (Central Alps) and of OH-rich to OH-dominant wagnerite from Dora-Maira (W. Alps

  16. Analysis of polytype stability in PVT grown silicon carbide single crystal using competitive lattice model Monte Carlo simulations

    NASA Astrophysics Data System (ADS)

    Guo, Hui-Jun; Huang, Wei; Liu, Xi; Gao, Pan; Zhuo, Shi-Yi; Xin, Jun; Yan, Cheng-Feng; Zheng, Yan-Qing; Yang, Jian-Hua; Shi, Er-Wei

    2014-09-01

    Polytype stability is very important for high quality SiC single crystal growth. However, the growth conditions for the 4H, 6H and 15R polytypes are similar, and the mechanism of polytype stability is not clear. The kinetics aspects, such as surface-step nucleation, are important. The kinetic Monte Carlo method is a common tool to study surface kinetics in crystal growth. However, the present lattice models for kinetic Monte Carlo simulations cannot solve the problem of the competitive growth of two or more lattice structures. In this study, a competitive lattice model was developed for kinetic Monte Carlo simulation of the competition growth of the 4H and 6H polytypes of SiC. The site positions are fixed at the perfect crystal lattice positions without any adjustment of the site positions. Surface steps on seeds and large ratios of diffusion/deposition have positive effects on the 4H polytype stability. The 3D polytype distribution in a physical vapor transport method grown SiC ingot showed that the facet preserved the 4H polytype even if the 6H polytype dominated the growth surface. The theoretical and experimental results of polytype growth in SiC suggest that retaining the step growth mode is an important factor to maintain a stable single 4H polytype during SiC growth.

  17. Metallic VS2 Monolayer Polytypes as Potential Sodium-Ion Battery Anode via ab Initio Random Structure Searching.

    PubMed

    Putungan, Darwin Barayang; Lin, Shi-Hsin; Kuo, Jer-Lai

    2016-07-27

    We systematically investigated the potential of single-layer VS2 polytypes as Na-battery anode materials via density functional theory calculations. We found that sodiation tends to inhibit the 1H-to-1T structural phase transition, in contrast to lithiation-induced transition on monolayer MoS2. Thus, VS2 can have better structural stability in the cycles of charging and discharging. Diffussion of Na atom was found to be very fast on both polytypes, with very small diffusion barriers of 0.085 eV (1H) and 0.088 eV (1T). Ab initio random structure searching was performed in order to explore stable configurations of Na on VS2. Our search found that both the V top and the hexagonal center sites are preferred adsorption sites for Na, with the 1H phase showing a relatively stronger binding. Notably, our random structures search revealed that Na clusters can form as a stacked second layer at full Na concentration, which is not reported in earlier works wherein uniform, single-layer Na adsorption phases were assumed. With reasonably high specific energy capacity (232.91 and 116.45 mAh/g for 1H and 1T phases, respectively) and open-circuit voltage (1.30 and 1.42 V for 1H and 1T phases, respectively), VS2 is a promising alternative material for Na-ion battery anodes with great structural sturdiness. Finally, we have shown the capability of the ab initio random structure searching in the assessment of potential materials for energy storage applications. PMID:27373121

  18. Complex (Nonstandard) Six-Layer Polytypes of Lizardite Revealed from Oblique-Texture Electron Diffraction Patterns

    SciTech Connect

    Zhukhlistov, A.P.; Zinchuk, N.N.; Kotel'nikov, D.D.

    2004-11-01

    Association of simple (1T and 3R) and two complex (nonstandard) orthogonal polytypes of the serpentine mineral lizardite from the Catoca kimberlite pipe (West Africa) association is revealed from oblique-texture electron diffraction patterns. A six-layer polytype with an ordered superposition of equally oriented layers (notation 3{sub 2}3{sub 2}3{sub 4}3{sub 4}3{sub 6}3{sub 6} or ++ - -00) belonging to the structural group A and a three-layer (336 or I,I,II) or a six-layer (336366 or I,I,II,I,II,II) polytype with alternating oppositely oriented layers and semi-disordered structure are identified using polytype analysis.

  19. SiC polytypes process affected by Ge predeposition on Si(111) substrates

    NASA Astrophysics Data System (ADS)

    Nader, Richard; Moussaed, Elie; Kazan, Michel; Pezoldt, Joerg; Masri, Pierre

    2008-08-01

    Structural and optical measurements were performed on silicon carbide (SiC) samples containing several polytypes. The SiC samples investigated were grown on (111) Si substrates by solid source molecular beam epitaxy (SSMBE). Several quantities of Ge were predeposited before the growth procedure. The influence of Ge on the SiC polytypes formation was studied by X-Ray, FTIR and μ-Raman characterizations methods. The spectra of the samples with less than one Ge monolayer exhibit a mixture of 2H, 15R and 3C-SiC polytypes. This mixture is due to the mismatch between the heterostructure layers. We propose that the Ge predeposition in the heterostructure can be used to stabilize and unify the polytypes formation.

  20. Graphene petals as potential electrode for perovskite based solar cells

    NASA Astrophysics Data System (ADS)

    Singh, Shivi

    The recent discovery of perovskites absorbers for high efficiency solar cells has sparked interest of the solar cell community. In the present study formation and growth of perovskite (both single and mixed halide) is analyzed and a procedure is developed to increase reproducibility of these layers. Graphene nano-petals are also studied as a potential electrode for perovskite solar cells, to assist in growth of better quality perovskite layers. X-ray diffraction, scanning electron microscopy and UV-vis spectroscopy are used to study the effect of different parameters on morphological features of perovskite. Different solar cell geometries are also tested, and a working geometry for single stack perovskite solar cell is proposed which uses graphene nano-petals as an electrode.

  1. Illite polytype quantification using Wildfire© calculated x-ray diffraction patterns

    USGS Publications Warehouse

    Grathoff, Georg H.; Moore, D.M.

    1996-01-01

    Illite polytype quantification allows the differentiation of diagenetic and detrital illite components. In Paleozoic shales from the Illinois Basin, we observe 3 polytypes: 1Md, 1M and 2M1. 1Md and 1M are of diagenetic origin and 2M1 is of detrital origin. In this paper, we compare experimental X-ray diffraction (XRD) traces with traces calculated using WILDFIRE© and quantify mixtures of all 3 polytypes, adjusting the effects of preferred orientation and overlapping peaks. The broad intensity (“illite hump”) around the illite 003, which is very common in illite from shales, is caused by the presence of 1Md illite and mixing of illite polytypes and is not an artifact of sample preparation or other impurities in the sample. Illite polytype quantification provides a tool to extrapolate the K/Ar age and chemistry of the detrital and diagenetic end-members by analysis of different size fractions containing different proportions of diagenetic and detrital illite polytypes.

  2. Stack filters

    NASA Astrophysics Data System (ADS)

    Wendt, P. D.; Coyle, E. J.; Gallagher, N. C., Jr.

    1986-08-01

    A large class of easily implemented nonlinear filters called stack filters are discussed which includes the rank order operators in addition to the compositions of morphological operators. Techniques similar to those used to determine the root signal behavior of median filters are employed to study the convergence properties of the filters, and necessary conditions for a stack filter to preserve monotone regions or edges in signals, and the output distribution of the filters, are obtained. Among the stack filters of window width three are found asymmetric median filters in which one removes only positive going edges, the other removes only negative going edges, while the median filter removes impulses of both signs.

  3. Crystal Phase Effects in Si Nanowire Polytypes and Their Homojunctions.

    PubMed

    Amato, Michele; Kaewmaraya, Thanayut; Zobelli, Alberto; Palummo, Maurizia; Rurali, Riccardo

    2016-09-14

    Recent experimental investigations have confirmed the possibility to synthesize and exploit polytypism in group IV nanowires. Driven by this promising evidence, we use first-principles methods based on density functional theory and many-body perturbation theory to investigate the electronic and optical properties of hexagonal-diamond and cubic-diamond Si NWs as well as their homojunctions. We show that hexagonal-diamond NWs are characterized by a more pronounced quantum confinement effect than cubic-diamond NWs. Furthermore, they absorb more light in the visible region with respect to cubic-diamond ones and, for most of the studied diameters, they are direct band gap materials. The study of the homojunctions reveals that the diameter has a crucial effect on the band alignment at the interface. In particular, at small diameters the band-offset is type-I whereas at experimentally relevant sizes the offset turns up to be of type-II. These findings highlight intriguing possibilities to modulate electron and hole separations as well as electronic and optical properties by simply modifying the crystal phase and the size of the junction. PMID:27530077

  4. Polytype control of spin qubits in silicon carbide

    PubMed Central

    Falk, Abram L.; Buckley, Bob B.; Calusine, Greg; Koehl, William F.; Dobrovitski, Viatcheslav V.; Politi, Alberto; Zorman, Christian A.; Feng, Philip X.-L.; Awschalom, David D.

    2013-01-01

    Crystal defects can confine isolated electronic spins and are promising candidates for solid-state quantum information. Alongside research focusing on nitrogen-vacancy centres in diamond, an alternative strategy seeks to identify new spin systems with an expanded set of technological capabilities, a materials-driven approach that could ultimately lead to ‘designer’ spins with tailored properties. Here we show that the 4H, 6H and 3C polytypes of SiC all host coherent and optically addressable defect spin states, including states in all three with room-temperature quantum coherence. The prevalence of this spin coherence shows that crystal polymorphism can be a degree of freedom for engineering spin qubits. Long spin coherence times allow us to use double electron–electron resonance to measure magnetic dipole interactions between spin ensembles in inequivalent lattice sites of the same crystal. Together with the distinct optical and spin transition energies of such inequivalent states, these interactions provide a route to dipole-coupled networks of separately addressable spins. PMID:23652007

  5. Ultimate efficiency limit of single-junction perovskite and dual-junction perovskite/silicon two-terminal devices

    NASA Astrophysics Data System (ADS)

    Almansouri, Ibraheem; Ho-Baillie, Anita; Green, Martin A.

    2015-08-01

    Theoretical calculation based on detailed balance and incorporating different realistic optical and electrical losses predicts conversion efficiency beyond 22% for single-junction perovskite devices. In dual-junction perovskite/silicon devices, theoretical conversion efficiency around 40% is been determined. However, dramatic drop in the conversion efficiency is shown to be due to the glass reflection and FTO parasitic absorption losses. Additionally, practical conversion efficiency limits of dual-junction two-terminal perovskite/silicon tandem solar cell of 30% are achievable as reported in this work using state-of-the-art demonstrated devices. Additionally, various crystalline silicon (industry and laboratory demonstrated) technologies are used as the bottom cell for the current matched tandem cell stacks with higher relative improvements when using commercial c-Si solar cells. Moreover, the effect of eliminating the parasitic resistances and enhancing the external radiative efficiency (ERE) in the perovskite junction on tandem performance are also investigated enhancing the stack efficiencies.

  6. Low-temperature production of silicon carbide films of different polytypes

    SciTech Connect

    Semenov, A. V. Puzikov, V. M.; Golubova, E. P.; Baumer, V. N.; Dobrotvorskaya, M. V.

    2009-05-15

    The study is concerned with the effect of temperature on the structure of SiC films formed by deposition of the C and Si ions with the energy 120 eV. On the basis of the X-ray structural studies, it is unambiguously established that the structure of the growing polytype is finely dependent on the substrate temperature. In the temperature range from 1080 deg. C to 1510 deg. C, the sequence of films involving the 21R, 51R, 27R, and 6H polytypes is produced for the first time. The effect of temperature on the silicon-carbon atomic content ratio [Si]/[C] in the deposited films is determined. At optimized parameters of deposition the film structured as the 51R rhombohedral polytype is grown.

  7. Stacking Up

    ERIC Educational Resources Information Center

    Naylor, Jim

    2005-01-01

    Chimneys and stacks appear to be strong and indestructible, but chimneys begin to deteriorate from the moment they are built. Early on, no signs are apparent; but deterioration accelerates in subsequent years, and major repairs are soon needed instead of minor maintenance. With proper attention, most structures can be repaired and continue to…

  8. Ferrodistortive lattice modes and polytypism in LaO1-xFxBiS2 superconductor

    NASA Astrophysics Data System (ADS)

    Athauda, Anushika; Louca, Despina; Hoffman, Christina; Ren, Yang; Zhu, Xiangde; Aswartham, Saicharan; Terzic, Jasminka; Cao, Gang

    LaO1-xFxBiS2 is a disordered, non-magnetic superconductor with a transition temperature of 10.8 K at x = 0.5. The crystal structure of LaO1-xFxBiS2 is investigated using synchrotron X-ray and neutron diffraction experiments. The Bragg pattern obtained in hk0 plane could not be reproduced by either the long-presumed nominal symmetry P4/nmm or other theoretically suggested symmetries and indicated the possibility that the symmetry is lower than expected. The Bragg structure can be reproduced by a model involving coordinated ferrodistortive in-plane displacements of sulfur. Several possibilities of sulfur displacement arrangements can reproduce the data equally well leading to the possibility of domains. When several domains are averaged together the fitting results improve. Therefore, the structure most likely consists of polytypes stacked along the c-axis. In the superconducting planes, the structure needs to be uniform, otherwise domain walls are created due to antiferrodistortive arrangements, giving rise to additional peaks not present in the data.

  9. Hybrid Perovskite/Perovskite Heterojunction Solar Cells.

    PubMed

    Hu, Yinghong; Schlipf, Johannes; Wussler, Michael; Petrus, Michiel L; Jaegermann, Wolfram; Bein, Thomas; Müller-Buschbaum, Peter; Docampo, Pablo

    2016-06-28

    Recently developed organic-inorganic hybrid perovskite solar cells combine low-cost fabrication and high power conversion efficiency. Advances in perovskite film optimization have led to an outstanding power conversion efficiency of more than 20%. Looking forward, shifting the focus toward new device architectures holds great potential to induce the next leap in device performance. Here, we demonstrate a perovskite/perovskite heterojunction solar cell. We developed a facile solution-based cation infiltration process to deposit layered perovskite (LPK) structures onto methylammonium lead iodide (MAPI) films. Grazing-incidence wide-angle X-ray scattering experiments were performed to gain insights into the crystallite orientation and the formation process of the perovskite bilayer. Our results show that the self-assembly of the LPK layer on top of an intact MAPI layer is accompanied by a reorganization of the perovskite interface. This leads to an enhancement of the open-circuit voltage and power conversion efficiency due to reduced recombination losses, as well as improved moisture stability in the resulting photovoltaic devices. PMID:27228558

  10. Modelling polytypism in III-V nanowires: role of group V and nucleation patterns during the growth

    NASA Astrophysics Data System (ADS)

    Grecenkov, J.; Dubrovskii, V. G.

    2015-11-01

    This theoretical work deals with polytypism in nanowires by utilizing nucleation theory and by modifying standard expression for nucleation rate. Polycentric and monocentric nucleation cases are also considered. Results show good agreement with experimental data.

  11. Delafossite structure of heterogenite polytypes (HCoO2) by Raman and infrared micro-spectroscopy

    NASA Astrophysics Data System (ADS)

    Burlet, C.; Goethals, H.; Vanbrabant, Y.

    2016-04-01

    Heterogenite is commonly referred in mineralogy literature as a cobalt oxy-hydroxide CoO(OH). However, detailed analysis of Raman and infrared spectra acquired on particularly well-crystallized natural samples of heterogenite suggests that the mineral can be characterized by a delafossite-type structure, with a general chemical formula ABO2. Indeed, the Raman spectrum of heterogenite, along the one with grimaldiite (HCrO2), lacks visible free OH-group vibrational modes, while the infrared spectrum shows strong hydrogen bond absorption bands. HCoO2 is thus a better formulation of heterogenite that describes more clearly its vibrational behavior and avoids the confusion in literature. Electronic backscattered diffraction (EBSD) is then used to distinguish and map the 2H and 3R heterogenite natural polytypes for the first time. The comparison of EBSD and Raman mappings clearly indicates that the 2H polytype is characterized by an additional peak at 1220 cm- 1. The presence/absence is therefore an efficient tool to distinguish both polytypes.

  12. Delafossite structure of heterogenite polytypes (HCoO₂) by Raman and infrared micro-spectroscopy.

    PubMed

    Burlet, C; Goethals, H; Vanbrabant, Y

    2016-04-15

    Heterogenite is commonly referred in mineralogy literature as a cobalt oxy-hydroxide CoO(OH). However, detailed analysis of Raman and infrared spectra acquired on particularly well-crystallized natural samples of heterogenite suggests that the mineral can be characterized by a delafossite-type structure, with a general chemical formula ABO2. Indeed, the Raman spectrum of heterogenite, along the one with grimaldiite (HCrO2), lacks visible free OH-group vibrational modes, while the infrared spectrum shows strong hydrogen bond absorption bands. HCoO2 is thus a better formulation of heterogenite that describes more clearly its vibrational behavior and avoids the confusion in literature. Electronic backscattered diffraction (EBSD) is then used to distinguish and map the 2H and 3R heterogenite natural polytypes for the first time. The comparison of EBSD and Raman mappings clearly indicates that the 2H polytype is characterized by an additional peak at 1220 cm(-1). The presence/absence is therefore an efficient tool to distinguish both polytypes. PMID:26828537

  13. Quantum Size Effect in Organometal Halide Perovskite Nanoplatelets.

    PubMed

    Sichert, Jasmina A; Tong, Yu; Mutz, Niklas; Vollmer, Mathias; Fischer, Stefan; Milowska, Karolina Z; García Cortadella, Ramon; Nickel, Bert; Cardenas-Daw, Carlos; Stolarczyk, Jacek K; Urban, Alexander S; Feldmann, Jochen

    2015-10-14

    Organometal halide perovskites have recently emerged displaying a huge potential for not only photovoltaic, but also light emitting applications. Exploiting the optical properties of specifically tailored perovskite nanocrystals could greatly enhance the efficiency and functionality of applications based on this material. In this study, we investigate the quantum size effect in colloidal organometal halide perovskite nanoplatelets. By tuning the ratio of the organic cations used, we can control the thickness and consequently the photoluminescence emission of the platelets. Quantum mechanical calculations match well with the experimental values. We find that not only do the properties of the perovskite, but also those of the organic ligands play an important role. Stacking of nanoplatelets leads to the formation of minibands, further shifting the bandgap energies. In addition, we find a large exciton binding energy of up to several hundreds of meV for nanoplatelets thinner than three unit cells, partially counteracting the blueshift induced by quantum confinement. Understanding of the quantum size effects in perovskite nanoplatelets and the ability to tune them provide an additional method with which to manipulate the optical properties of organometal halide perovskites. PMID:26327242

  14. Electrochemical cell stack assembly

    DOEpatents

    Jacobson, Craig P.; Visco, Steven J.; De Jonghe, Lutgard C.

    2010-06-22

    Multiple stacks of tubular electrochemical cells having a dense electrolyte disposed between an anode and a cathode preferably deposited as thin films arranged in parallel on stamped conductive interconnect sheets or ferrules. The stack allows one or more electrochemical cell to malfunction without disabling the entire stack. Stack efficiency is enhanced through simplified gas manifolding, gas recycling, reduced operating temperature and improved heat distribution.

  15. Computer Simulations to Study Diffraction Effects of Stacking Faults in Beta-SiC: II. Experimental Verification. 2; Experimental Verification

    NASA Technical Reports Server (NTRS)

    Pujar, Vijay V.; Cawley, James D.; Levine, S. (Technical Monitor)

    2000-01-01

    Earlier results from computer simulation studies suggest a correlation between the spatial distribution of stacking errors in the Beta-SiC structure and features observed in X-ray diffraction patterns of the material. Reported here are experimental results obtained from two types of nominally Beta-SiC specimens, which yield distinct XRD data. These samples were analyzed using high resolution transmission electron microscopy (HRTEM) and the stacking error distribution was directly determined. The HRTEM results compare well to those deduced by matching the XRD data with simulated spectra, confirming the hypothesis that the XRD data is indicative not only of the presence and density of stacking errors, but also that it can yield information regarding their distribution. In addition, the stacking error population in both specimens is related to their synthesis conditions and it appears that it is similar to the relation developed by others to explain the formation of the corresponding polytypes.

  16. Ferroelectric ultrathin perovskite films

    DOEpatents

    Rappe, Andrew M; Kolpak, Alexie Michelle

    2013-12-10

    Disclosed herein are perovskite ferroelectric thin-film. Also disclosed are methods of controlling the properties of ferroelectric thin films. These films can be used in a variety materials and devices, such as catalysts and storage media, respectively.

  17. The Band Structure and Bulk Modulus of Cubic (3C) and Hexagonal (2H) Polytypes of Silicon Carbide

    NASA Astrophysics Data System (ADS)

    Mahmood, A.; Sansoresa, L. Enrique

    Silicon carbide (SiC) is a high band-gap semiconductor material, which has very important and interesting characteristics for novel semiconductor applications. We have studied the cubic (3C) and hexagonal (2H) polytypes of this important material. For the band structure calculations of these polytypes, the density functional and total-energy technique have been applied in the generalized gradient approximation, which is the most powerful ab initio quantum-mechanica method. The important energy gaps have been determined and compared with the previous theoretical and experimental results. The density of state, charge density and bulk modulus have also been calculated.

  18. Ligand-controlled polytypism of thick-shell CdSe/CdS nanocrystals.

    PubMed

    Mahler, Benoît; Lequeux, Nicolas; Dubertret, Benoît

    2010-01-27

    We report the synthesis of CdSe/CdS semiconductor core/shell nanocrystals with very thick (5 nm) CdS shells. As in the case of core CdSe nanocrystals, we show that a thick-shell CdSe/CdS core/shell structure can be synthesized in either a pure wurtzite (W) or a zinc-blende (ZB) crystal structure. While the growth of thick-shell wurtzite CdSe/CdS is quite straightforward, we observe that the growth of a CdS shell on zinc-blende CdSe cores is more difficult and leads to wurtzite/zinc-blende polytypism when primary amines are present during the shell formation. Using absorption spectra analysis to differentiate zinc blende from wurtzite CdSe, we show that primary amines can induce a nearly complete structural transformation of CdSe ZB cores into W cores. This better understanding of the CdSe ligand-dependent crystal structural evolution during shell growth is further used to grow large (10 nm)-diameter perfect zinc-blende CdSe core crystals emitting above 700 nm, and perfect ZB thick-shell CdSe/CdS nanocrystals. We observed that all thick-shell CdSe/CdS QDs have extremely reduced blinking events compared to thin-shell QDs, without any significant influence of crystalline structure and polytypism. PMID:20043669

  19. Fifty years of stacking

    NASA Astrophysics Data System (ADS)

    Rashed, Mohamed

    2014-06-01

    Common-Mid-Point (CMP) stacking is a major process to enhance signal-to-noise ratio in seismic data. Since its appearance fifty years ago, CMP stacking has gone through different phases of prosperity and negligence within the geophysical community. During those times, CMP stacking developed from a simple process of averaging into a sophisticated process that involves complicated mathematics and state-of-the-art computation. This article summarizes the basic principles, assumptions, and violations related to the CMP stacking technique, presents a historical overview on the development stages of CMP stacking, and discusses its future potentiality.

  20. Stacking with stochastic cooling

    NASA Astrophysics Data System (ADS)

    Caspers, Fritz; Möhl, Dieter

    2004-10-01

    Accumulation of large stacks of antiprotons or ions with the aid of stochastic cooling is more delicate than cooling a constant intensity beam. Basically the difficulty stems from the fact that the optimized gain and the cooling rate are inversely proportional to the number of particles 'seen' by the cooling system. Therefore, to maintain fast stacking, the newly injected batch has to be strongly 'protected' from the Schottky noise of the stack. Vice versa the stack has to be efficiently 'shielded' against the high gain cooling system for the injected beam. In the antiproton accumulators with stacking ratios up to 105 the problem is solved by radial separation of the injection and the stack orbits in a region of large dispersion. An array of several tapered cooling systems with a matched gain profile provides a continuous particle flux towards the high-density stack core. Shielding of the different systems from each other is obtained both through the spatial separation and via the revolution frequencies (filters). In the 'old AA', where the antiproton collection and stacking was done in one single ring, the injected beam was further shielded during cooling by means of a movable shutter. The complexity of these systems is very high. For more modest stacking ratios, one might use azimuthal rather than radial separation of stack and injected beam. Schematically half of the circumference would be used to accept and cool new beam and the remainder to house the stack. Fast gating is then required between the high gain cooling of the injected beam and the low gain stack cooling. RF-gymnastics are used to merge the pre-cooled batch with the stack, to re-create free space for the next injection, and to capture the new batch. This scheme is less demanding for the storage ring lattice, but at the expense of some reduction in stacking rate. The talk reviews the 'radial' separation schemes and also gives some considerations to the 'azimuthal' schemes.

  1. Perovskite photonic sources

    NASA Astrophysics Data System (ADS)

    Sutherland, Brandon R.; Sargent, Edward H.

    2016-05-01

    The field of solution-processed semiconductors has made great strides; however, it has yet to enable electrically driven lasers. To achieve this goal, improved materials are required that combine efficient (>50% quantum yield) radiative recombination under high injection, large and balanced charge-carrier mobilities in excess of 10 cm2 V-1 s-1, free-carrier densities greater than 1017 cm-3 and gain coefficients exceeding 104 cm-1. Solid-state perovskites are -- in addition to galvanizing the field of solar electricity -- showing great promise in photonic sources, and may be the answer to realizing solution-cast laser diodes. Here, we discuss the properties of perovskites that benefit light emission, review recent progress in perovskite electroluminescent diodes and optically pumped lasers, and examine the remaining challenges in achieving continuous-wave and electrically driven lasing.

  2. Data in support of crystal structures of highly-ordered long-period stacking-ordered phases with 18R, 14H and 10H-type stacking sequences in the Mg–Zn–Y system

    PubMed Central

    Kishida, Kyosuke; Nagai, Kaito; Matsumoto, Akihide; Inui, Haruyuki

    2015-01-01

    The crystal structures of highly-ordered Mg–Zn–Y long-period stacking-ordered (LPSO) phases with the 18R, 14H and 10H-type stacking sequences have been investigated by atomic-resolution scanning transmission electron microscopy (STEM) and transmission electron microscopy (Kishida et al., 2015) [1]. This data article provides supporting materials for the crystal structure analysis based on the crystallographic theory of the order–disorder (OD) structure and the crystallographic information obtained through the structural optimization for various simple polytypes of the highly-ordered Mg–Zn–Y LPSO phases with the 18R, 14H and 10H-type stacking sequences by first-principles density functional theory (DFT) calculations. PMID:26566542

  3. Polytypic transformations during the thermal decomposition of cobalt hydroxide and cobalt hydroxynitrate

    SciTech Connect

    Ramesh, Thimmasandra Narayan

    2010-06-15

    The isothermal decomposition of cobalt hydroxide and cobalt hydroxynitrate at different intervals of temperature leads to the formation of Co{sub 3}O{sub 4}. The phase evolution during the decomposition process was monitored using powder X-ray diffraction. The transformation of cobalt hydroxide to cobalt oxide occurs via three phase mixture while cobalt hydroxynitrate to cobalt oxide occurs through a two phase mixture. The nature of the sample and its preparation method controls the decomposition mechanism. The comparison of topotactical relationship between the precursors to the decomposed product has been reported in relation to polytypism. - Graphical abstract: Isothermal thermal decomposition studies of cobalt hydroxide and cobalt hydroxynitrate at different intervals of temperature show the metastable phase formed prior to Co{sub 3}O{sub 4} phase.

  4. Electrons, holes, and excitons in GaAs polytype quantum dots

    NASA Astrophysics Data System (ADS)

    Climente, Juan I.; Segarra, Carlos; Rajadell, Fernando; Planelles, Josep

    2016-03-01

    Single and multi-band kṡp Hamiltonians for GaAs crystal phase quantum dots are used to assess ongoing experimental activity on the role of such factors as quantum confinement, spontaneous polarization, valence band mixing, and exciton Coulomb interaction. Spontaneous polarization is found to be a dominating term. Together with the control of dot thickness [Vainorius et al., Nano Lett. 15, 2652 (2015)], it enables wide exciton wavelength and lifetime tunability. Several new phenomena are predicted for small diameter dots [Loitsch et al., Adv. Mater. 27, 2195 (2015)], including non-heavy hole ground state, strong hole spin admixture, and a type-II to type-I exciton transition, which can be used to improve the absorption strength and reduce the radiative lifetime of GaAs polytypes.

  5. Facile one-pot synthesis of polytypic CuGaS2 nanoplates

    NASA Astrophysics Data System (ADS)

    Liu, Zhongping; Hao, Qiaoyan; Tang, Rui; Wang, Linlin; Tang, Kaibin

    2013-12-01

    CuGaS2 (CGS) nanoplates were successfully synthesized by one-pot thermolysis of a mixture solution of CuCl, GaCl3, and 1-dodecanethiol in noncoordinating solvent 1-octadecene. Their morphology, crystalline phase, and composition were characterized by scanning electron microscopy (SEM), transmission electron microscopy (TEM), high-resolution transmission electron microscopy (HRTEM), powder X-ray diffraction (XRD), and X-ray photoelectron spectroscopy (XPS), respectively. Crystalline structure analysis showed that the as-prepared CGS nanoplates were polytypic, in which the wurtzite phase was interfaced with zincblende domains. The growth process of CGS nanoplates was investigated. It was found that copper sulfide nanoplates were firstly formed and then the as-formed copper sulfide nanoplates gradually transformed to CGS nanoplates with proceeding of the reaction. The optical absorption of the as-synthesized CGS nanoplates was also measured and the direct optical bandgap was determined to be 2.24 eV.

  6. Control of the polytypes and line defects in radiation detector materials

    NASA Astrophysics Data System (ADS)

    Singh, N. B.; Duval, W. M. B.; Hopkins, R. H.; Mazelsky, R.; Fox, D. K.; Gottlieb, M.; Henningsen, T.; Coriell, S. R.; Glicksman, M. E.

    2012-10-01

    Experiments were performed with pure and doped lead halides to investigate growth conditions for large crystals. Direct observations during the growth of 25 mm diameter crystal growing at high velocities showed that torodial type instability is formed at the solid/liquid interface during the growth. These instabilities translate into point defects and line defects. We report the results of extensive experiments on Lead bromide doped with silver bromide to study double diffusive transport. Control of instability at the interface provides a great improvement in the quality of crystal more specifically point defects and line defects. The controlled doping controls the defects and polytypism, and hence reduces the cracking and production of very large diameter good quality crystal is possible by Bridgman method. Results on the quality as the function of convection and growth parameters are reported in this paper.

  7. Stacking Global Seismograms Revisited

    NASA Astrophysics Data System (ADS)

    Shearer, P. M.; Buehler, J. S.; Denolle, M.; Fan, W.; Ma, Z.; Mancinelli, N. J.; Matoza, R. S.; Wang, W.; Wang, Y.; Zhan, Z.

    2014-12-01

    Over 20 years ago, stacks of global seismograms produced direct images of the global seismic wavefield highlighting the visibility, frequency content, and polarity of known seismic phases, and also identified a host of new phases associated with reflections and phase conversions from upper-mantle discontinuities. Two different stacking methods proved particularly useful: (1) STA/LTA-filtered stacks that describe the local signal-to-noise characteristics of the major seismic phases. These serve to image the entire wavefield in a uniform way for educational purposes and to show which phases are observed most clearly as a guide to future research. These stacks also resolve SH versus SV timing differences consistent with radial anisotropy. (2) Reference-phase stacks that preserve the polarity, amplitude, and timing of traces with respect to a specified target phase. These show a large number of top-side and bottom-side reflections and phase conversions from the 410- and 660-km discontinuities that create weak phases with a characteristic "railroad track" appearance both preceding and following many of the main seismic phases. Reference-phase stacking can also be used to produce coherent surface-wave stacks at very long periods, which directly show the dispersive character of the surface waves. Here we revisit and update these stacks by exploiting the vastly increased data now available from the IRIS DMC to produce greatly improved wavefield images. We present several examples of the different stacking approaches and point out their various features, including promising targets for future research.

  8. van der Waals Heterojunction Devices Based on Organohalide Perovskites and Two-Dimensional Materials.

    PubMed

    Cheng, Hung-Chieh; Wang, Gongming; Li, Dehui; He, Qiyuan; Yin, Anxiang; Liu, Yuan; Wu, Hao; Ding, Mengning; Huang, Yu; Duan, Xiangfeng

    2016-01-13

    The recently emerged organohalide perovskites (e.g., CH3NH3PbI3) have drawn intense attention for high efficiency solar cells. However, with a considerable solubility in many solvents, these perovskites are not typically compatible with conventional lithography processes for more complicated device fabrications that are important for both fundamental studies and technological applications. Here, we report the creation of novel heterojunction devices based on perovskites and two-dimensional (2D) crystals by taking advantage of the layered characteristic of lead iodide (PbI2) and vapor-phase intercalation. We show that a graphene/perovskite/graphene vertical stack can deliver a highest photoresponsivity of ∼950 A/W and photoconductive gain of ∼2200, and a graphene/WSe2/perovskite/graphene heterojunction can display a high on/off ratio (∼10(6)) transistor behavior with distinct gate-tunable diode characteristics and open-circuit voltages. Such unique perovskite-2D heterostructures have significant potential for future optoelectronic research and can enable broad possibilities with compositional tunability of organohalide perovskites and the versatility offered by diverse 2D materials. PMID:26666974

  9. Towards optical optimization of planar monolithic perovskite/silicon-heterojunction tandem solar cells

    NASA Astrophysics Data System (ADS)

    Albrecht, Steve; Saliba, Michael; Correa-Baena, Juan-Pablo; Jäger, Klaus; Korte, Lars; Hagfeldt, Anders; Grätzel, Michael; Rech, Bernd

    2016-06-01

    Combining inorganic–organic perovskites and crystalline silicon into a monolithic tandem solar cell has recently attracted increased attention due to the high efficiency potential of this cell architecture. Promising results with published efficiencies above 21% have been reported so far. To further increase the device performance, optical optimizations enabling device related guidelines are highly necessary. Here we experimentally show the optical influence of the ITO thickness in the interconnecting layer and fabricate an efficient monolithic tandem cell with a reduced ITO layer thickness that shows slightly improved absorption within the silicon sub-cell and a stabilized power output of 17%. Furthermore we present detailed optical simulations on experimentally relevant planar tandem stacks to give practical guidelines to reach efficiencies above 25%. By optimizing the thickness of all functional and the perovskite absorber layers, together with the optimization of the perovskite band-gap, we present a tandem stack that can yield ca 17.5 mA cm‑ 2 current in both sub-cells at a perovskite band-gap of 1.73 eV including losses from reflection and parasitic absorption. Assuming that the higher band-gap of the perovskite absorber directly translates into a higher open circuit voltage, the perovskite sub-cell should be able to reach a value of 1.3 V. With that, realistic efficiencies above 28% are within reach for planar monolithic tandem cells in which the thickness of the perovskite top-cell and the perovskite band-gap are highly optimized. When applying light trapping schemes such as textured surfaces and by reducing the parasitic absorption of the functional layers, for example in spiro-OMeTAD, this monolithic tandem can overcome 30% power conversion efficiency.

  10. Revealing the preferred interlayer orientations and stackings of two-dimensional bilayer gallium selenide crystals

    DOE PAGESBeta

    Li, Xufan; Basile Carrasco, Leonardo A.; Yoon, Mina; Ma, Cheng; Puretzky, Alexander A.; Lee, Jaekwang; Idrobo Tapia, Juan Carlos; Chi, Miaofang; Rouleau, Christopher M.; Geohegan, David B.; et al

    2015-01-21

    Characterizing and controlling the interlayer orientations and stacking order of bilayer two-dimensional (2D) crystals and van der Waals (vdW) heterostructure is crucial to optimize their electrical and optoelectronic properties. The four polymorphs of layered gallium selenide (GaSe) that result from different layer stacking provide an ideal platform to study the stacking configurations in bilayer 2D crystals. Here, through a controllable vapor-phase deposition method we selectively grow bilayer GaSe crystals and investigate their two preferred 0° or 60° interlayer rotations. The commensurate stacking configurations (AA' and AB-stacking) in as-grown 2D bilayer GaSe crystals are clearly observed at the atomic scale andmore » the Ga-terminated edge structure are identified for the first time by using atomic-resolution scanning transmission electron microscopy (STEM). Theoretical analysis of the interlayer coupling energetics vs. interlayer rotation angle reveals that the experimentally-observed orientations are energetically preferred among the bilayer GaSe crystal polytypes. Here, the combined experimental and theoretical characterization of the GaSe bilayers afforded by these growth studies provide a pathway to reveal the atomistic relationships in interlayer orientations responsible for the electronic and optical properties of bilayer 2D crystals and vdW heterostructures.« less

  11. Revealing the preferred interlayer orientations and stackings of two-dimensional bilayer gallium selenide crystals

    SciTech Connect

    Li, Xufan; Basile Carrasco, Leonardo A.; Yoon, Mina; Ma, Cheng; Puretzky, Alexander A.; Lee, Jaekwang; Idrobo Tapia, Juan Carlos; Chi, Miaofang; Rouleau, Christopher M.; Geohegan, David B.; Xiao, Kai

    2015-01-21

    Characterizing and controlling the interlayer orientations and stacking order of bilayer two-dimensional (2D) crystals and van der Waals (vdW) heterostructure is crucial to optimize their electrical and optoelectronic properties. The four polymorphs of layered gallium selenide (GaSe) that result from different layer stacking provide an ideal platform to study the stacking configurations in bilayer 2D crystals. Here, through a controllable vapor-phase deposition method we selectively grow bilayer GaSe crystals and investigate their two preferred 0° or 60° interlayer rotations. The commensurate stacking configurations (AA' and AB-stacking) in as-grown 2D bilayer GaSe crystals are clearly observed at the atomic scale and the Ga-terminated edge structure are identified for the first time by using atomic-resolution scanning transmission electron microscopy (STEM). Theoretical analysis of the interlayer coupling energetics vs. interlayer rotation angle reveals that the experimentally-observed orientations are energetically preferred among the bilayer GaSe crystal polytypes. Here, the combined experimental and theoretical characterization of the GaSe bilayers afforded by these growth studies provide a pathway to reveal the atomistic relationships in interlayer orientations responsible for the electronic and optical properties of bilayer 2D crystals and vdW heterostructures.

  12. Stack gas treatment

    DOEpatents

    Reeves, Adam A.

    1977-04-12

    Hot stack gases transfer contained heat to a gravity flow of pebbles treated with a catalyst, cooled stacked gases and a sulfuric acid mist is withdrawn from the unit, and heat picked up by the pebbles is transferred to air for combustion or other process. The sulfuric acid (or sulfur, depending on the catalyst) is withdrawn in a recovery unit.

  13. Process for the controlled growth of single-crystal films of silicon carbide polytypes on silicon carbide wafers

    NASA Technical Reports Server (NTRS)

    Larkin, David J. (Inventor); Powell, J. Anthony (Inventor)

    1992-01-01

    A method for the controlled growth of single-crystal semiconductor-device-quality films of SiC polytypes on vicinal (0001) SiC wafers with low tilt angles is presented. Both homoepitaxial and heteroepitaxial SiC films can be produced on the same wafer. In particular, 3C-SiC and 6H-SiC films can be produced within selected areas of the same 6H-SiC wafer.

  14. Process for the controlled growth of single-crystal films of silicon carbide polytypes on silicon carbide wafers

    NASA Technical Reports Server (NTRS)

    Powell, J. Anthony (Inventor)

    1991-01-01

    This invention is a method for the controlled growth of single-crystal semiconductor device quality films of SiC polytypes on vicinal (0001) SiC wafers with low tilt angles. Both homoepitaxial and heteroepitaxial SiC films can be produced on the same wafer. In particular, 3C-SiC and 6H-SiC films can be produced within selected areas of the same 6H-SiC wafer.

  15. Tunable perovskite microdisk lasers

    NASA Astrophysics Data System (ADS)

    Sun, Wenzhao; Wang, Kaiyang; Gu, Zhiyuan; Xiao, Shumin; Song, Qinghai

    2016-04-01

    Perovskite microdisk lasers have been intensively studied recently. But their lasing properties are usually fixed once the devices are synthesized. Here, for the first time, we demonstrated the switchable and tunable perovskite microdisk lasers by surrounding them with 5CB liquid crystals. With the increase of the environmental temperature from 24 °C to 34 °C, the lasing wavelength slightly changed from 552.91 nm to 552.11 nm at the beginning and suddenly shifted to around 552.54 nm at T = 32 °C, where the phase transition of liquid crystals occurs. Our numerical calculation shows that the wavelength shift is caused by the changes of the refractive index of liquid crystals. More than tuning of the wavelength, a more dramatic wavelength transition from ~554 nm to 550 nm has also been observed. This sudden transition is mainly induced by the reduction of scattering rather than the change in the refractive index when the liquid crystals are changed from the nematic phase to the isotropic phase. We believe that our research can shed light on the applications of perovskite optoelectronics.

  16. Tunable perovskite microdisk lasers.

    PubMed

    Sun, Wenzhao; Wang, Kaiyang; Gu, Zhiyuan; Xiao, Shumin; Song, Qinghai

    2016-04-28

    Perovskite microdisk lasers have been intensively studied recently. But their lasing properties are usually fixed once the devices are synthesized. Here, for the first time, we demonstrated the switchable and tunable perovskite microdisk lasers by surrounding them with 5CB liquid crystals. With the increase of the environmental temperature from 24 °C to 34 °C, the lasing wavelength slightly changed from 552.91 nm to 552.11 nm at the beginning and suddenly shifted to around 552.54 nm at T = 32 °C, where the phase transition of liquid crystals occurs. Our numerical calculation shows that the wavelength shift is caused by the changes of the refractive index of liquid crystals. More than tuning of the wavelength, a more dramatic wavelength transition from ∼554 nm to 550 nm has also been observed. This sudden transition is mainly induced by the reduction of scattering rather than the change in the refractive index when the liquid crystals are changed from the nematic phase to the isotropic phase. We believe that our research can shed light on the applications of perovskite optoelectronics. PMID:27064838

  17. New hexagonal perovskite with Mn4+ and Mn5+ at distinct structural positions

    NASA Astrophysics Data System (ADS)

    Tarakina, N. V.; Tyutyunnik, A. P.; Bazuev, G. V.; Vasiliev, A. D.; Berger, I. F.; Gould, C.; Nikolaenko, I. V.

    2015-10-01

    A new hexagonal perovskite, Ba7Li1.75Mn3.5O15.75, has been synthesised using microwave-assisted solid-state synthesis. Its crystal structure has elements typical for the layered hexagonal perovskites and quasi-one-dimensional oxides, hence representing a new polytype. Structural solution based on simultaneous refinement of X-ray and neutron diffraction data shows that Ba7Li1.75Mn3.5O15.75 crystallizes in a hexagonal unit cell with parameters a = 5.66274(2) Å and c = 16.7467(1) Å (V = 465.063(4) Å3). Columns of face- shared octahedra occupied by Mn4+, Li+ cations and vacancies along the c axis are separated in the ab plane by barium atoms, so that every sixth layer, the coordination of Mn5+ and Li+ changes to tetrahedral. Separation of Mn4+ and Mn5+ cations in two distinct structural positions makes the structure unique. A scanning transmission electron microscopy study revealed the formation of a rhombohedrally centered supercell, which might be attributed to the ordering of manganese and lithium atoms among cationic sites.

  18. PAM stack test utility

    Energy Science and Technology Software Center (ESTSC)

    2007-08-22

    The pamtest utility calls the normal PAM hooks using a service and username supplied on the command line. This allows an administratory to test any one of many configured PAM stacks as any existing user on the machine.

  19. D0 Vent Stacks

    SciTech Connect

    Fuerst, J.D.; /Fermilab

    1988-01-22

    There are two nitrogen/argon exhaust headers in the D0 cryogenic piping system, one for the liquid argon dewar and another for the three argon calorimeters. These headers serve two functions, venting both nitrogen exhaust from the cooling loops and cold argon gas should any argon vessel blow a relief. These headers are vacuum jacketed until they exit the building. At that point, uninsulated exhaust stacks direct the flow into the atmosphere. This note deals with the these stacks.

  20. Study the formation mechanism of silicon carbide polytype by silicon carbide nanobelts sintered under high pressure.

    PubMed

    Wei, Guodong; Zhang, Guangqian; Gao, Fenmei; Zheng, Jinju; Qin, Yanfen; Han, Wei; Qin, Weiping; Yang, Weiyou

    2011-11-01

    In this paper, in order to reveal the formation mechanism of SiC polytype, four SiC specimens sintered under high pressure has been investigated, after being prepared from SiC nanobelts as initial powders. The structure and morphology variation dependence of SiC specimens with temperature and pressure was studied based on experimental data obtained by XRD, SEM, and Raman. The results show that SiC lattice structure and the crystallite size are greatly affected by pressure between 2 and 4 GPa under different sintering temperatures of 800 and 1200 degrees C. At the largest applied pressure and temperature, 4 GPa and 1200 degrees C, 3C-SiC crystal structure can be changed into to R-SiC due to the stress resulted in dislocations instead of planar defects. Based on our results, the multiquantum-well structure based a single one-dimensional nanostructure can be achieved by applying high pressure at certain sintered temperature. PMID:22413287

  1. Facile one-pot synthesis of polytypic (wurtzite-chalcopyrite) CuGaS2

    NASA Astrophysics Data System (ADS)

    Vahidshad, Yaser; Mirkazemi, Seyed Mohammad; Tahir, Muhammad Nawaz; Zad, Azam Iraji; Ghasemzadeh, Reza; Tremel, Wolfgang

    2016-03-01

    In this investigation, monodisperse CuGaS2 nanoparticles intended for use as visible-light-absorbing materials were synthesized using a facile one-step heating method that involved dissolving the precursors copper chloride, gallium acetylacetonate, and thiourea in a solvent consisting of either oleylamine alone or a combination of oleylamine, oleic acid, and 1-octadecene. The shapes of the resulting nanoparticles were either elongated, polygonal, or a mixture of both, depending on whether the crystal structure of the nanoparticles was predominantly wurtzite, predominantly chalcopyrite, or a more balanced mixture of both wurtzite and chalcopyrite (i.e., the nanoparticles were polytypic: both wurtzite and chalcopyrite phases were present). The crystal structure of the synthesized nanoparticles was found to be influenced by the temperature and the solvent applied during synthesis. X-ray diffraction data for the nanoparticles indicated that applying a temperature of 270 °C or using oleylamine, oleic acid solvent, and 1-octadecene during synthesis tended to yield a chalcopyrite phase, whereas applying a somewhat lower temperature (210 °C) or using oleylamine alone during synthesis tended to result in a wurtzite phase. The chemical states of the compounds obtained at different temperatures and using various solvents, as well as their crystal structures, morphologies, and optical properties were characterized via X-ray photoelectron spectroscopy, X-ray diffraction, transmission electron microscopy, ultraviolet-visible spectroscopy, and photoluminescence.

  2. Glory of piezoelectric perovskites

    NASA Astrophysics Data System (ADS)

    Uchino, Kenji

    2015-08-01

    This article reviews the history of piezoelectric perovskites and forecasts future development trends, including Uchino’s discoveries such as the Pb(Mg1/3Nb2/3)O3-PbTiO3 electrostrictor, Pb(Zn1/3Nb2/3)O3-PbTiO3 single crystal, (Pb, La)(Zr, Ti)O3 photostriction, and Pb(Zr, Ti)O3-Terfenol magnetoelectric composites. We discuss five key trends in the development of piezomaterials: performance to reliability, hard to soft, macro to nano, homo to hetero, and single to multi-functional.

  3. Stack filter classifiers

    SciTech Connect

    Porter, Reid B; Hush, Don

    2009-01-01

    Just as linear models generalize the sample mean and weighted average, weighted order statistic models generalize the sample median and weighted median. This analogy can be continued informally to generalized additive modeels in the case of the mean, and Stack Filters in the case of the median. Both of these model classes have been extensively studied for signal and image processing but it is surprising to find that for pattern classification, their treatment has been significantly one sided. Generalized additive models are now a major tool in pattern classification and many different learning algorithms have been developed to fit model parameters to finite data. However Stack Filters remain largely confined to signal and image processing and learning algorithms for classification are yet to be seen. This paper is a step towards Stack Filter Classifiers and it shows that the approach is interesting from both a theoretical and a practical perspective.

  4. Barrier RF stacking

    SciTech Connect

    Chou, W.; Wildman, D.; Zheng, H.; Takagi, A.; /KEK, Tsukuba

    2004-12-01

    A novel wideband RF system, nicknamed the barrier RF, has been designed, fabricated and installed in the Fermilab Main Injector. The cavity is made of seven Finemet cores, and the modulator made of two bipolar high-voltage fast solid-state switches. The system can deliver {+-}7 kV square pulses at 90 kHz. The main application is to stack two proton batches injected from the Booster and squeeze them into the size of one so that the bunch intensity can be doubled. High intensity beams have been successfully stacked and accelerated to 120 GeV with small losses. The problem of large longitudinal emittance growth is the focus of the present study. An upgraded system with two barrier RF cavities for continuous stacking is under construction. This work is part of the US-Japan collaborative agreement.

  5. Barrier RF Stacking

    SciTech Connect

    Chou, W.; Wildman, D.; Zheng, H.; Takagi, A.

    2005-06-08

    A novel wideband RF system, nicknamed the barrier RF, has been designed, fabricated and installed in the Fermilab Main Injector. The cavity is made of seven Finemet cores, and the modulator made of two bipolar high-voltage fast solid-state switches. The system can deliver {+-}7 kV square pulses at 90 kHz. The main application is to stack two proton batches injected from the Booster and squeeze them into the size of one so that the bunch intensity can be doubled. High intensity beams have been successfully stacked and accelerated to 120 GeV with small losses. The problem of large longitudinal emittance growth is the focus of the present study. An upgraded system with two barrier RF cavities for continuous stacking is under construction. This work is part of the US-Japan collaborative agreement.

  6. Barrier RF Stacking

    NASA Astrophysics Data System (ADS)

    Chou, W.; Wildman, D.; Zheng, H.; Takagi, A.

    2005-06-01

    A novel wideband RF system, nicknamed the barrier RF, has been designed, fabricated and installed in the Fermilab Main Injector. The cavity is made of seven Finemet cores, and the modulator made of two bipolar high-voltage fast solid-state switches. The system can deliver ±7 kV square pulses at 90 kHz. The main application is to stack two proton batches injected from the Booster and squeeze them into the size of one so that the bunch intensity can be doubled. High intensity beams have been successfully stacked and accelerated to 120 GeV with small losses. The problem of large longitudinal emittance growth is the focus of the present study. An upgraded system with two barrier RF cavities for continuous stacking is under construction. This work is part of the US-Japan collaborative agreement.

  7. Laser pulse stacking method

    DOEpatents

    Moses, Edward I.

    1992-01-01

    A laser pulse stacking method is disclosed. A problem with the prior art has been the generation of a series of laser beam pulses where the outer and inner regions of the beams are generated so as to form radially non-synchronous pulses. Such pulses thus have a non-uniform cross-sectional area with respect to the outer and inner edges of the pulses. The present invention provides a solution by combining the temporally non-uniform pulses in a stacking effect to thus provide a more uniform temporal synchronism over the beam diameter.

  8. Laser pulse stacking method

    DOEpatents

    Moses, E.I.

    1992-12-01

    A laser pulse stacking method is disclosed. A problem with the prior art has been the generation of a series of laser beam pulses where the outer and inner regions of the beams are generated so as to form radially non-synchronous pulses. Such pulses thus have a non-uniform cross-sectional area with respect to the outer and inner edges of the pulses. The present invention provides a solution by combining the temporally non-uniform pulses in a stacking effect to thus provide a more uniform temporal synchronism over the beam diameter. 2 figs.

  9. Methodologies for high efficiency perovskite solar cells

    NASA Astrophysics Data System (ADS)

    Park, Nam-Gyu

    2016-06-01

    Since the report on long-term durable solid-state perovskite solar cell in 2012, perovskite solar cells based on lead halide perovskites having organic cations such as methylammonium CH3NH3PbI3 or formamidinium HC(NH2)2PbI3 have received great attention because of superb photovoltaic performance with power conversion efficiency exceeding 22 %. In this review, emergence of perovskite solar cell is briefly introduced. Since understanding fundamentals of light absorbers is directly related to their photovoltaic performance, opto-electronic properties of organo lead halide perovskites are investigated in order to provide insight into design of higher efficiency perovskite solar cells. Since the conversion efficiency of perovskite solar cell is found to depend significantly on perovskite film quality, methodologies for fabricating high quality perovskite films are particularly emphasized, including various solution-processes and vacuum deposition method.

  10. Gene stacking by recombinases

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Efficient methods of stacking genes into plant genomes are needed to expedite transfer of multigenic traits into diverse crops grown in a variety of environments. Over two decades of research has identified several site-specific recombinases that carry out efficient cis and trans recombination betw...

  11. STACK GAS REHEAT EVALUATION

    EPA Science Inventory

    The report gives results of technical and economic evaluations of stack gas reheat (SGR) following wet flue gas desulfurization (FGD) for coal-fired power plants. The evaluations were based on information from literature and a survey of FGD users, vendors, and architect/engineer ...

  12. Stacking with No Planarity?

    PubMed

    Gunaydin, Hakan; Bartberger, Michael D

    2016-04-14

    This viewpoint describes the results obtained from matched molecular pair analyses and quantum mechanics calculations that show unsaturated rings found in drug-like molecules may be replaced with their saturated counterparts without losing potency even if they are engaged in stacking interactions with the side chains of aromatic residues. PMID:27096037

  13. 23. Brick coke quencher, brick stack, metal stack to right, ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    23. Brick coke quencher, brick stack, metal stack to right, coke gas pipe to left; in background, BOF building, limestone piles, Levy's Slag Dump. Looking north/northwest - Rouge Steel Company, 3001 Miller Road, Dearborn, MI

  14. Interfaces in Perovskite Heterostructures

    SciTech Connect

    Christen, Hans M; Kim, Dae Ho; Rouleau, Christopher M

    2008-01-01

    Recent advances in film synthesis have made it possible to investigate the properties of well-controlled interfaces in perovskite metal-oxides. A review of published experimental data and computational results indicate that so far most interfaces that have been analyzed in ferroelectric materials - while necessary to impose large lattice strain on the polar material - contribute little to the ferroelectricity and may instead be detrimental to the desired properties. In contrast, a very different situation arises at interfaces that show changes in the electronic configuration as a consequence of a compositional discontinuity. Data is shown for LaMnO3/SrTiO 3 superlattices as an example of electronic effects that produce enhanced properties, further illustrating the richness of interfacial properties that can be obtained at interfaces (as shown in numerous published results for different but related interfaces).

  15. Structure and magnetic properties of Ba{sub 5}Ce{sub 1.25}Mn{sub 3.75}O{sub 15}, a new 10H-polytype in the Ba-Ce-Mn-O system

    SciTech Connect

    Macias, Mario A.; Mentre, Olivier; Cuello, Gabriel J.; Gauthier, Gilles H.

    2013-02-15

    Based on the peculiar magnetic properties that are observed in pseudo one-dimensional manganites, we decided to synthesize the new Ba{sub 5}Ce{sub 1.25}Mn{sub 3.75}O{sub 15} compound. The preparation was performed by solid state reaction in air at about 1350 Degree-Sign C, for which we found that the compound crystallizes in a hexagonal symmetry with space group P6{sub 3}/mmc (No-194) and cell parameters a=b=5.7861(2) A and c=23.902(1) A. The structural description was correlated with neutron diffraction and bond valence calculations, confirming the presence of Ce{sup 4+} and Mn{sup 4+} segregated in the different crystallographic positions. Ba{sub 5}Ce{sub 1.25}Mn{sub 3.75}O{sub 15} displays evidence for strong AFM couplings already set at room temperature. The main arrangement of Mn{sup 4+} in magnetically isolated tetramers of face-sharing octahedra is responsible for a metamagnetic-like transition around 50 K. - Graphical abstract: The new Ba{sub 5}Ce{sub 1.25}Mn{sub 3.75}O{sub 15} polytype shows strong AFM couplings in magnetically isolated [Ce{sub 0.25}Mn{sub 3.75}O{sub 15}] tetramers of face-sharing octahedral, resulting in a metamagnetic-like transition around 50 K. Highlights: Black-Right-Pointing-Pointer Ba{sub 5}Ce{sub 1.25}Mn{sub 3.75}O{sub 15}, a new 10H polytype, has been prepared in the Ba-Ce-Mn-O system. Black-Right-Pointing-Pointer The compound crystallizes in the P6{sub 3}/mmc space group with (cchhh){sub 2} stacking sequence. Black-Right-Pointing-Pointer [Ce{sub 0.25}Mn{sub 3.75}O{sub 15}] tetramers are separated by [CeO{sub 6}] octahedra in the structure. Black-Right-Pointing-Pointer Instead of robust AFM ordering, a metamagnetic-like transition is found around 50 K.

  16. Moissanite (SiC) from kimberlites: Polytypes, trace elements, inclusions and speculations on origin

    NASA Astrophysics Data System (ADS)

    Shiryaev, A. A.; Griffin, W. L.; Stoyanov, E.

    2011-03-01

    An extensive collection of moissanite (SiC) grains from the Mir, Aikhal and Udachnaya kimberlite pipes of Yakutia has been characterized in terms of structural perfection, defects and the major- and trace-element chemistry of SiC and its included phases. The natural grains are clearly distinct from synthetic SiC produced by various methods. Most of the natural SiC grains are 6H and 15R polytypes. Some of the grains (< 10%) show extremely complex Raman spectra indicating strongly disordered structures. Some grains also show zoning in impurities, C-isotope composition and cathodoluminescence brightness. Inclusions are heterogeneously distributed within the natural SiC; their size varies from a few nanometers to hundreds of microns. The most abundant inclusions in SiC are Si metal and iron silicide (FeSi 2); a Si-C-O phase with stoichiometry close to Si 4(C,O) 7 probably is related to the silicon oxycarbides. FeSi 2 commonly appears to have exsolved from Si metal; in some cases Ti metal then has exsolved from FeSi 2 to form symplectites. Trace elements are strongly concentrated in the inclusions of FeSi 2 and Si 4(C,O) 7. The trace-element patterns of these phases are generally similar in the different kimberlites, but there are some consistent minor differences between localities. The trace-element patterns of FeSi 2 and Si 4(C,O) 7 are strongly enriched in LREE/HREE and are broadly similar to the patterns of kimberlites, carbonatites and some diamond-forming fluids. However, extreme negative anomalies in Eu (and Sm) suggest highly reducing conditions. Yb also shows strong negative anomalies in FeSi 2 from all three localities, and in Si 4(C,O) 7 from Aikhal and Mir, but not in those from Udachnaya. Trace-element chemistry and the nature of the inclusions provide a reliable basis for distinguishing natural and synthetic SiC. Textural and chemical features and the presence of oxidation products (Si 4(C,O) 7 and SiO 2) suggest that moissanite grew at high temperatures

  17. Energy Expenditure of Sport Stacking

    ERIC Educational Resources Information Center

    Murray, Steven R.; Udermann, Brian E.; Reineke, David M.; Battista, Rebecca A.

    2009-01-01

    Sport stacking is an activity taught in many physical education programs. The activity, although very popular, has been studied minimally, and the energy expenditure for sport stacking is unknown. Therefore, the purposes of this study were to determine the energy expenditure of sport stacking in elementary school children and to compare that value…

  18. Iridium Interfacial Stack (IRIS)

    NASA Technical Reports Server (NTRS)

    Spry, David James (Inventor)

    2015-01-01

    An iridium interfacial stack ("IrIS") and a method for producing the same are provided. The IrIS may include ordered layers of TaSi.sub.2, platinum, iridium, and platinum, and may be placed on top of a titanium layer and a silicon carbide layer. The IrIS may prevent, reduce, or mitigate against diffusion of elements such as oxygen, platinum, and gold through at least some of its layers.

  19. Thermoacoustic Refrigerator's Stack Optimization

    NASA Astrophysics Data System (ADS)

    El-Fawal, Mawahib Hassan; Mohd-Ghazali, Normah; Yaacob, Mohd. Shafik; Darus, Amer Nordin

    2010-06-01

    The standing wave thermoacoustic refrigerator, which uses sound generation to transfer heat, was developed rapidly during the past four decades. It was regarded as a new, promising and environmentally benign alternative to conventional compression vapor refrigerators, although it was not competitive regarding the coefficient of performance (COP) yet. Thus the aim of this paper is to enhance thermoacoustic refrigerator's stack performance through optimization. A computational optimization procedure of thermoacoustic stack design was fully developed. The procedure was designed to achieve optimal coefficient of performance based on most of the design and operating parameters. Cooling load and acoustic power governing equations were set assuming the linear thermoacoustic theory. Lagrange multipliers method was used as an optimization technique tool to solve the governing equations. Numerical analyses results of the developed design procedure are presented. The results showed that the stack design parameters are the most significant parameters for the optimal overall performance. The coefficient of performance obtained increases by about 48.8% from the published experimental optimization methods. The results are in good agreement with past established studies.

  20. Effect of Stacking Faults on the X-Ray Diffraction Profiles of Beta-SiC Powders

    NASA Technical Reports Server (NTRS)

    Pujar, Vijay V.; Cawley, James D.; Levine, Stanley R. (Technical Monitor)

    1995-01-01

    X-ray diffraction patterns or beta-SiC (3C or the cubic polytype or sic) powders often exhibit an additional peak at d = 0.266 nm, high background intensity around the (111) peak, and relative intensities for peaks which differ from those predicted from the crystal structure. Computer simulations were used to show that all these features are due to stacking faults in the powders and not due to the presence of other polytypes in the powders. Such simulations allow diffraction patterns to be generated for different types, frequencies, and spatial distribution or faults. Comparison of the simulation results to the XRD data indicates that the B-SiC particles consist either of heavily faulted clusters distributed irregularly between regions that have only occasional faults or twins, or the powders consist of two types of particles with different populations of faults: those with a high density of faults and those with only twins or occasional faults. Additional information is necessary to determine which description is correct. However, the simulation results can be used to rule out certain fault configurations.

  1. Stacking attributes from local slopes

    NASA Astrophysics Data System (ADS)

    Ghosh, S.; Gajewski, D.; Dell, S.; Nath, S. K.; Wave Inversion Technology (Wit) Consortium

    2010-12-01

    CMP stacking is controlled by the stacking velocity which is determined by a one-dimendional optimization procedure using semblance as a coherence criterion. New multi-parameter stacking formulas like the Common Reflection Surface (CRS) operator consider neighboring CMP locations in the stack. These methods stack considerably more traces than conventional CMP processing leading to stacked sections with an improved signal-to-nose ratio and better image quality. The corresponding stacking trajectories are controlled by three stacking attributes for the 2-D case and eight for the 3-D case. The determination of these attributes requires a multi-dimensional optimization procedure which is time consuming. If we know good starting values, we can limit the search intervals considerably and speed up the process. It was shown that the stacking attributes are linked to local slopes in seismic zero offset and constant offset sections. Therefore, the determination of local slopes can guide the choice of the search intervals in the optimization procedure. We use structural tensors for the determination of local slopes. Structural tensors represent a versatile tool to investigate coherent features in the data superior to other slop determination tools like slant stacking or plane wave destructors. The window size is adjustable and allows to optimize smoothing and smearing in the slope determination process where the smoothing can be performed along structural events (directional smoothing). This smart feature helps to consider complex geologies and acknowledges faults and conflicting dips without any significant change in computation time. Different variants of the algorithm are used to determine slopes in CMP gathers, stacked and time or depth migrated sections. The results of the local slope determinations are used to compute stacking attributes for the CRS method. We compare these to stacking attributes obtained from optimization. The attributes determined from local slopes

  2. Organometal Trihalide Perovskite Spintronics

    NASA Astrophysics Data System (ADS)

    Sun, Dali

    The family of organometal trihalide perovskite (OTP), CH3NH3PbX3 (where X is halogen) has recently revolutionized the photovoltaics field, and shows promise in applications such as solar energy harnessing, light emitting diodes, field effect transistors and laser action. The OTP spin characteristic properties are influenced by the large spin-orbit-coupling of the Pb atoms, and thus may offer a new class of semiconductors for spin-based applications. In this talk we will summarize the `magnetic field effect' on photocurrent and electroluminescence in OTP optoelectronic devices, and photoluminescence from OTP films; and report more recent studies of pure spin-current and spin-aligned carrier injection in OTP spintronics devices using `spin-pumping' and `spin-injection', respectively. We measured relatively large inverse-spin-Hall effect using pulsed microwave excitation in OTP devices at resonance with a ferromagnetic (FM) layer, and giant magnetoresistance in OTP-based spin-valves. Our studies launch the field of OTP spintronics. Research sponsored by the DOE, Office of Science, Grant DE-SC0014579. Work done in collaboration with Chuang Zhang, Marzieh Kavand, Kipp J. van Schooten, Hans Malissa, Matthew Groesbeck, Ryan Mclaughlin, Christoph Boehme, and Z. Valy Vardeny.

  3. Ferromagnetism in ruthenate perovskites

    NASA Astrophysics Data System (ADS)

    Dang, Hung T.; Mravlje, Jernej; Millis, Andrew J.

    2014-03-01

    In apparent contrast to the usual rule that stronger correlations favor magnetism and other forms of order, while weaker correlations lead to Fermi liquid metals, it has been experimentally established that CaRuO3, a more correlated material, is a paramagnetic metal with a Fermi liquid ground state while SrRuO3, which is less strongly correlated, is ferromagnetic below a Curie temperature of 160K. We present density functional plus dynamical mean field theory calculations which resolve this conundrum. We show that in these materials ferromagnetism occurs naturally for cubic perovskite systems at moderate correlations but is suppressed both by proximity to the Mott insulating phase and by increasing the amplitude of a GdFeO3 distortion. These factors are strongly related to the differences between Ca and Sr ruthenates and are used as the keys to solve the problem. Placement of the ruthenate materials on the metal-insulator phase diagram and comparison to previous works on the Ruddlesden-Popper materials are also discussed. Supported by the Basic Energy Sciences Program of the US Department of Energy under grant DOE ER046169 and the Columbia-Ecole Polytechnique Alliance program.

  4. Barrier RF stacking

    SciTech Connect

    Weiren Chou and Akira Takagi

    2003-02-24

    This paper introduces a new method for stacking beams in the longitudinal phase space. It uses RF barriers to confine and compress beams in an accelerator, provided that the machine momentum acceptance is a few times larger than the momentum spread of the injected beam. This is the case for the Fermilab Main Injector. A barrier RF system employing Finemet cores and high-voltage solid-state switches is under construction. The goal is to double the number of protons per cycle on the production target for Run2 and NuMI experiments.

  5. Role of polytypism and degree of hexagonality on the photoinduced optical second harmonic generation in SiC nanocrystalline films

    NASA Astrophysics Data System (ADS)

    Semenov, A.; Puziko, V.; Skorik, S.; Wojciechowski, A.; Fedorchuk, A. O.; Maciąg, A.

    2015-05-01

    Photoinduced optiсal second harmonic generation was studied in nanocrystalline SiC films prepared by the method of direct ion deposition. For the studies were chosen three types of polytypes (with different degree of hexagonality) - 24R with degree hexagonality G=25, 27R-G=44, 33R with - G=36. The bicolor photoinduced treatment was performed by the wavelengths 1064nm/532 nm by 15 ns YAG:Nd laser. The efficiency of the output SHG was evaluated by ratio of the corresponding signal intensities with respect to the references and by the time delay between the SHG and the fundamental maxima. Explanation of the observed effect is given within a framework of the occurrence of the nano-trapping levels in the film crystalline interfaces.

  6. Stacked reverberation mapping

    NASA Astrophysics Data System (ADS)

    Fine, S.; Shanks, T.; Green, P.; Kelly, B. C.; Croom, S. M.; Webster, R. L.; Berger, E.; Chornock, R.; Burgett, W. S.; Chambers, K. C.; Kaiser, N.; Price, P. A.

    2013-07-01

    Over the past 20 years reverberation mapping has proved one of the most successful techniques for studying the local (<1 pc) environment of supermassive black holes that drive active galactic nuclei. Key successes of reverberation mapping have been direct black hole mass estimates, the radius-luminosity relation for the Hβ line and the calibration of single-epoch mass estimators commonly employed up to z ˜ 7. However, observing constraints mean that few studies have been successful at z > 0.1, or for the more-luminous quasars that make up the majority of current spectroscopic samples, or for rest-frame ultraviolet emission lines available in optical spectra of z > 0.5 objects. Previously, we described a technique for stacking cross-correlations to obtain reverberation mapping results at high z. Here, we present the first results from a campaign designed for this purpose. We construct stacked cross-correlation functions for the C IV and Mg II lines and find a clear peak in both. We find that the peak in the Mg II correlation is at longer lags than C IV consistent with previous results at low redshift. For the C IV sample, we are able to bin by luminosity and find evidence for increasing lags for more-luminous objects. This C IV radius-luminosity relation is consistent with previous studies but with a fraction of the observational cost.

  7. Asymmetric Flexible Supercapacitor Stack

    PubMed Central

    2008-01-01

    Electrical double layer supercapacitor is very significant in the field of electrical energy storage which can be the solution for the current revolution in the electronic devices like mobile phones, camera flashes which needs flexible and miniaturized energy storage device with all non-aqueous components. The multiwalled carbon nanotubes (MWNTs) have been synthesized by catalytic chemical vapor deposition technique over hydrogen decrepitated Mischmetal (Mm) based AB3alloy hydride. The polymer dispersed MWNTs have been obtained by insitu polymerization and the metal oxide/MWNTs were synthesized by sol-gel method. Morphological characterizations of polymer dispersed MWNTs have been carried out using scanning electron microscopy (SEM), transmission electron microscopy (TEM and HRTEM). An assymetric double supercapacitor stack has been fabricated using polymer/MWNTs and metal oxide/MWNTs coated over flexible carbon fabric as electrodes and nafion®membrane as a solid electrolyte. Electrochemical performance of the supercapacitor stack has been investigated using cyclic voltammetry, galvanostatic charge-discharge, and electrochemical impedance spectroscopy.

  8. Stacked Extreme Learning Machines.

    PubMed

    Zhou, Hongming; Huang, Guang-Bin; Lin, Zhiping; Wang, Han; Soh, Yeng Chai

    2015-09-01

    Extreme learning machine (ELM) has recently attracted many researchers' interest due to its very fast learning speed, good generalization ability, and ease of implementation. It provides a unified solution that can be used directly to solve regression, binary, and multiclass classification problems. In this paper, we propose a stacked ELMs (S-ELMs) that is specially designed for solving large and complex data problems. The S-ELMs divides a single large ELM network into multiple stacked small ELMs which are serially connected. The S-ELMs can approximate a very large ELM network with small memory requirement. To further improve the testing accuracy on big data problems, the ELM autoencoder can be implemented during each iteration of the S-ELMs algorithm. The simulation results show that the S-ELMs even with random hidden nodes can achieve similar testing accuracy to support vector machine (SVM) while having low memory requirements. With the help of ELM autoencoder, the S-ELMs can achieve much better testing accuracy than SVM and slightly better accuracy than deep belief network (DBN) with much faster training speed. PMID:25361517

  9. Modelling dislocation cores in MgSiO3 perovskite

    NASA Astrophysics Data System (ADS)

    Cordier, P.; Carrez, P.; Gouriet, K.; Kraych, A.

    2012-12-01

    MgSiO3 perovskite is the most abundant mineral of the Earth's lower mantle (i.e. between 700 and 2900 km depth) and accounts for half of Earth's mass. At lower mantle pressures (25-135 GPa) MgSiO3 crystallises in a distorted (orthorhombic) perovskite structure (described in the following using the Pbnm space group). In this structure, SiO6 octahedra are tilted with tilt angles increasing with increasing pressure. Since it is very difficult to perform deformation experiments under the extreme P, T conditions of the lower mantle, little is known about plastic deformation of MgSiO3 perovskite and its slip systems are still a matter of debate. To overcome this difficulty, we model dislocation core structures in this mineral taking into account the influence of pressure. In this study, we focus on dislocation core structures of dislocations with [100] and [010] Burgers vectors (which derive from <110> Burgers vectors of the underlying pseudo-cubic structure). Atomistic calculations are performed using pair-wise potentials as implemented in the LAMMPS code. The choice of potentials was initially validated by comparing generalized stacking fault (GSF) energies to similar calculations performed with the density functional theory (DFT). The core structures of screw dislocations are calculated using two independent methods. The first one is based on Peierls-Nabarro-Galerkin simulations involving GSF as an input. Direct calculations have also bee performed using cluster approach. It turns out that screw dislocations with [100] Burgers vector are characterised by a core mostly spread in the (010) plane. The core exhibits two edge-sharing octahedra in a configuration very similar to that modelled in SrTiO3 cubic perovskite. The structure of [010] screw dislocations is more complex with dissociation into two, non-collinear partial dislocations with a significant non-screw component. Both dislocations exhibit high Peierls stresses. This illustrates the effect of orthorhombic

  10. Stacked insulator induction accelerator gaps

    SciTech Connect

    Houck, T.I.; Westenskow, G.A.; Kim, J.S.; Eylon, S.; Henestroza, E.; Yu, S.S.; Vanecek, D.

    1997-05-01

    Stacked insulators, with alternating layers of insulating material and conducting film, have been shown to support high surface electrical field stresses. We have investigated the application of the stacked insulator technology to the design of induction accelerator modules for the Relativistic-Klystron Two-Beam Accelerator program. The rf properties of the accelerating gaps using stacked insulators, particularly the impedance at frequencies above the beam pipe cutoff frequency, are investigated. Low impedance is critical for Relativistic-Klystron Two-Beam Accelerator applications where a high current, bunched beam is trsnsported through many accelerating gaps. An induction accelerator module designs using a stacked insulator is presented.

  11. Thermoacoustic pin stacks. Summary report

    SciTech Connect

    Keolian, R.M.

    1994-07-06

    The construction and testing of a new stack geometry for thermoacoustic engines, called a pin stack, has been started. The stack is at the heart of a class of heat engines that use sound to deliver refrigeration, or use a temperature difference to generate sound. Calculations show that the pin stack should make useful improvements in engine efficiency. About 2000 wires will be hand sewn in a hexagonal lattice between the hot and cold heat exchangers in a sound source using low pressure neon gas between 300 K and 77 K. Thermoacoustics, Refrigeration, Acoustic source, Heat pump.

  12. Perovskite catalysts for oxidative coupling

    DOEpatents

    Campbell, Kenneth D.

    1991-01-01

    Perovskites of the structure A.sub.2 B.sub.2 C.sub.3 O.sub.10 are useful as catalysts for the oxidative coupling of lower alkane to heavier hydrocarbons. A is alkali metal; B is lanthanide or lanthanum, cerium, neodymium, samarium, praseodymium, gadolinium or dysprosium; and C is titanium.

  13. Perovskite catalysts for oxidative coupling

    DOEpatents

    Campbell, K.D.

    1991-06-25

    Perovskites of the structure A[sub 2]B[sub 2]C[sub 3]O[sub 10] are useful as catalysts for the oxidative coupling of lower alkane to heavier hydrocarbons. A is alkali metal; B is lanthanide or lanthanum, cerium, neodymium, samarium, praseodymium, gadolinium or dysprosium; and C is titanium.

  14. The LSST Software Stack

    NASA Astrophysics Data System (ADS)

    Jenness, Timothy; LSST Data Management Team

    2016-01-01

    The Large Synoptic Survey Telescope (LSST) is an 8-m optical ground-based telescope being constructed on Cerro Pachon in Chile. LSST will survey half the sky every few nights in six optical bands. The data will be transferred to the data center in North America and within 60 seconds it will be reduced using difference imaging and an alert list be generated for the community. Additionally, annual data releases will be constructed from all the data during the 10-year mission, producing catalogs and deep co-added images with unprecedented time resolution for such a large region of sky. In the paper we present the current status of the LSST stack including the data processing components, Qserv database and data visualization software, describe how to obtain it, and provide a summary of the development road map.

  15. Stack Trace Analysis Tool

    Energy Science and Technology Software Center (ESTSC)

    2008-01-16

    STAT is a light weight debugging tool that gathers and merges stack traces from all of the processes in a parallel application. STAT uses the MRNet free based overlay network to broadcast commands from the tool front-end to the STAT daemons and for the front-end to gather the traces from the STAT daemons. As the traces propagate through the MRNet network tree, they are merged across all tasks to form a single call prefix tree.more » The call prefix tree can be examined to identify tasks with similar function call patterns and to delineate a small set of equivalence classes. A representative task from each of these classes can then be fed into a full feature debugger like TotalView for root cause analysis.« less

  16. Stack Trace Analysis Tool

    Energy Science and Technology Software Center (ESTSC)

    2013-02-19

    STAT is a light weight debugging tool that gathers and merges stack traces from all of the processes in a parallell application. STAT uses the MRNet tree based overlay network to broadcast commands from the tool front-end to the STAT daemons and for the front-end to gather the traces from the STAT daemons. As the traces propagate through the MRNet network tree, they are merged across all tasks to from a single call prefix tree.more » The call prefix tree can be examined to identify tasks with similar function call patterns and to delineate a small set of equivalence slasses. A representative task from each of these classes can then be fed into a full feature debugger like TotalView for root cause analysis.« less

  17. Stack Trace Analysis Tool

    SciTech Connect

    2013-02-19

    STAT is a light weight debugging tool that gathers and merges stack traces from all of the processes in a parallell application. STAT uses the MRNet tree based overlay network to broadcast commands from the tool front-end to the STAT daemons and for the front-end to gather the traces from the STAT daemons. As the traces propagate through the MRNet network tree, they are merged across all tasks to from a single call prefix tree. The call prefix tree can be examined to identify tasks with similar function call patterns and to delineate a small set of equivalence slasses. A representative task from each of these classes can then be fed into a full feature debugger like TotalView for root cause analysis.

  18. Stack Trace Analysis Tool

    SciTech Connect

    2008-01-16

    STAT is a light weight debugging tool that gathers and merges stack traces from all of the processes in a parallel application. STAT uses the MRNet free based overlay network to broadcast commands from the tool front-end to the STAT daemons and for the front-end to gather the traces from the STAT daemons. As the traces propagate through the MRNet network tree, they are merged across all tasks to form a single call prefix tree. The call prefix tree can be examined to identify tasks with similar function call patterns and to delineate a small set of equivalence classes. A representative task from each of these classes can then be fed into a full feature debugger like TotalView for root cause analysis.

  19. Zigzag stacks and m-regular linear stacks.

    PubMed

    Chen, William Y C; Guo, Qiang-Hui; Sun, Lisa H; Wang, Jian

    2014-12-01

    The contact map of a protein fold is a graph that represents the patterns of contacts in the fold. It is known that the contact map can be decomposed into stacks and queues. RNA secondary structures are special stacks in which the degree of each vertex is at most one and each arc has length of at least two. Waterman and Smith derived a formula for the number of RNA secondary structures of length n with exactly k arcs. Höner zu Siederdissen et al. developed a folding algorithm for extended RNA secondary structures in which each vertex has maximum degree two. An equation for the generating function of extended RNA secondary structures was obtained by Müller and Nebel by using a context-free grammar approach, which leads to an asymptotic formula. In this article, we consider m-regular linear stacks, where each arc has length at least m and the degree of each vertex is bounded by two. Extended RNA secondary structures are exactly 2-regular linear stacks. For any m ≥ 2, we obtain an equation for the generating function of the m-regular linear stacks. For given m, we deduce a recurrence relation and an asymptotic formula for the number of m-regular linear stacks on n vertices. To establish the equation, we use the reduction operation of Chen, Deng, and Du to transform an m-regular linear stack to an m-reduced zigzag (or alternating) stack. Then we find an equation for m-reduced zigzag stacks leading to an equation for m-regular linear stacks. PMID:25455155

  20. Assessing Elementary Algebra with STACK

    ERIC Educational Resources Information Center

    Sangwin, Christopher J.

    2007-01-01

    This paper concerns computer aided assessment (CAA) of mathematics in which a computer algebra system (CAS) is used to help assess students' responses to elementary algebra questions. Using a methodology of documentary analysis, we examine what is taught in elementary algebra. The STACK CAA system, http://www.stack.bham.ac.uk/, which uses the CAS…

  1. Ligand-Stabilized Reduced-Dimensionality Perovskites.

    PubMed

    Quan, Li Na; Yuan, Mingjian; Comin, Riccardo; Voznyy, Oleksandr; Beauregard, Eric M; Hoogland, Sjoerd; Buin, Andrei; Kirmani, Ahmad R; Zhao, Kui; Amassian, Aram; Kim, Dong Ha; Sargent, Edward H

    2016-03-01

    Metal halide perovskites have rapidly advanced thin-film photovoltaic performance; as a result, the materials' observed instabilities urgently require a solution. Using density functional theory (DFT), we show that a low energy of formation, exacerbated in the presence of humidity, explains the propensity of perovskites to decompose back into their precursors. We find, also using DFT, that intercalation of phenylethylammonium between perovskite layers introduces quantitatively appreciable van der Waals interactions. These drive an increased formation energy and should therefore improve material stability. Here we report reduced-dimensionality (quasi-2D) perovskite films that exhibit improved stability while retaining the high performance of conventional three-dimensional perovskites. Continuous tuning of the dimensionality, as assessed using photophysical studies, is achieved by the choice of stoichiometry in materials synthesis. We achieve the first certified hysteresis-free solar power conversion in a planar perovskite solar cell, obtaining a 15.3% certified PCE, and observe greatly improved performance longevity. PMID:26841130

  2. Warning signal brightness variation: sexual selection may work under the radar of natural selection in populations of a polytypic poison frog.

    PubMed

    Crothers, Laura R; Cummings, Molly E

    2013-05-01

    Though theory predicts consistency of warning signals in aposematic species to facilitate predator learning, variation in these signals often occurs in nature. The strawberry poison frog Dendrobates pumilio is an exceptionally polytypic (populations are phenotypically distinct) aposematic frog exhibiting variation in warning color and brightness. In the Solarte population, males and females both respond differentially to male brightness variation. Here, we demonstrate through spectrophotometry and visual modeling that aposematic brightness variation within this population is likely visible to two putative predators (crabs, snakes) and conspecifics but not to the presumed major predator (birds). This study thus suggests that signal brightness within D. pumilio populations can be shaped by sexual selection, with limited opportunity for natural selection to influence this trait due to predator sensory constraints. Because signal brightness changes can ultimately lead to changes in hue, our findings at the within-population level can provide insights into understanding this polytypism at across-population scales. PMID:23594556

  3. 49 CFR 178.815 - Stacking test.

    Code of Federal Regulations, 2013 CFR

    2013-10-01

    ... 49 Transportation 3 2013-10-01 2013-10-01 false Stacking test. 178.815 Section 178.815... Stacking test. (a) General. The stacking test must be conducted for the qualification of all IBC design types intended to be stacked. (b) Special preparation for the stacking test. (1) All IBCs...

  4. Multiferroic crossover in perovskite oxides

    NASA Astrophysics Data System (ADS)

    Weston, L.; Cui, X. Y.; Ringer, S. P.; Stampfl, C.

    2016-04-01

    The coexistence of ferroelectricity and magnetism in A B O3 perovskite oxides is rare, a phenomenon that has become known as the ferroelectric "d0 rule." Recently, the perovskite BiCoO3 has been shown experimentally to be isostructural with PbTiO3, while simultaneously the d6Co3 + ion has a high-spin ground state with C -type antiferromagnetic ordering. It has been suggested that the hybridization of Bi 6 s states with the O 2 p valence band stabilizes the polar phase, however, we have recently demonstrated that Co3 + ions in the perovskite structure can facilitate a ferroelectric distortion via the Co 3 d -O 2 p covalent interaction [L. Weston, et al., Phys. Rev. Lett. 114, 247601 (2015), 10.1103/PhysRevLett.114.247601]. In this paper, using accurate hybrid density functional calculations, we investigate the atomic, electronic, and magnetic structure of BiCoO3 to elucidate the origin of the multiferroic state. To begin with, we perform a more general first-principles investigation of the role of d electrons in affecting the tendency for perovskite materials to exhibit a ferroelectric distortion; this is achieved via a qualitative trend study in artificial cubic and tetragonal La B O3 perovskites. We choose La as the A cation so as to remove the effects of Bi 6 s hybridization. The lattice instability is identified by the softening of phonon modes in the cubic phase, as well as by the energy lowering associated with a ferroelectric distortion. For the La B O3 series, where B is a d0-d8 cation from the 3 d block, the trend study reveals that increasing the d orbital occupation initially removes the tendency for a polar distortion, as expected. However, for high-spin d5-d7 and d8 cations a strong ferroelectric instability is recovered. This effect is explained in terms of increased pseudo-Jahn-Teller (PJT) p -d vibronic coupling. The PJT effect is described by the competition between a stabilizing force (K0) that favors the cubic phase, and a vibronic term that

  5. Polarization twist in perovskite ferrielectrics

    PubMed Central

    Kitanaka, Yuuki; Hirano, Kiyotaka; Ogino, Motohiro; Noguchi, Yuji; Miyayama, Masaru; Moriyoshi, Chikako; Kuroiwa, Yoshihiro

    2016-01-01

    Because the functions of polar materials are governed primarily by their polarization response to external stimuli, the majority of studies have focused on controlling polar lattice distortions. In some perovskite oxides, polar distortions coexist with nonpolar tilts and rotations of oxygen octahedra. The interplay between nonpolar and polar instabilities appears to play a crucial role, raising the question of how to design materials by exploiting their coupling. Here, we introduce the concept of ‘polarization twist’, which offers enhanced control over piezoelectric responses in polar materials. Our experimental and theoretical studies provide direct evidence that a ferrielectric perovskite exhibits a large piezoelectric response because of extended polar distortion, accompanied by nonpolar octahedral rotations, as if twisted polarization relaxes under electric fields. The concept underlying the polarization twist opens new possibilities for developing alternative materials in bulk and thin-film forms. PMID:27586824

  6. Polarization twist in perovskite ferrielectrics.

    PubMed

    Kitanaka, Yuuki; Hirano, Kiyotaka; Ogino, Motohiro; Noguchi, Yuji; Miyayama, Masaru; Moriyoshi, Chikako; Kuroiwa, Yoshihiro

    2016-01-01

    Because the functions of polar materials are governed primarily by their polarization response to external stimuli, the majority of studies have focused on controlling polar lattice distortions. In some perovskite oxides, polar distortions coexist with nonpolar tilts and rotations of oxygen octahedra. The interplay between nonpolar and polar instabilities appears to play a crucial role, raising the question of how to design materials by exploiting their coupling. Here, we introduce the concept of 'polarization twist', which offers enhanced control over piezoelectric responses in polar materials. Our experimental and theoretical studies provide direct evidence that a ferrielectric perovskite exhibits a large piezoelectric response because of extended polar distortion, accompanied by nonpolar octahedral rotations, as if twisted polarization relaxes under electric fields. The concept underlying the polarization twist opens new possibilities for developing alternative materials in bulk and thin-film forms. PMID:27586824

  7. Time-varying imagery of ice features dynamic scattering in presence climate change: polytypical lakes Ladoga and Peipus as example

    NASA Astrophysics Data System (ADS)

    Melentyev, V.; Melentyev, K.; Pettersson, L.; Mushkudiany, M.

    2009-04-01

    The Problem of dynamical instability of ice conditions and modification of ice regime of polytypical lakes owing to global warming was investigated using time-varying satellite imagery. Deep-water Lake Ladoga and shallow-water Lake Peipus both situated at the north-western part of Russian Federation in moderate climatic zone but possessed different heat capacity were used for comparative studies. The comprehensive analysis of ERS/RADARSAT/Envisat SAR images was provided using the results of long-term studies of thermal structures of these inland water bodies and peculiarities of their variability during open water season as well calculations of heat supply in different weather conditions. 1993-2008 NERSC/NIERSC SAR archive as well materials sub-satellite experiments on board research vessel and research aircraft since 1960-s is used. Shipborne observations were used for validation satellite information. Thematic interpretation of satellite data shows that SAR signature of ice could be applied as tracer of various natural processes and phenomena, including climatically and ecologically important ones. As result dependence of hydrological features and the time of freeze-up and ice destruction in both selected lakes in consequence of climate change and softening of winter severity in nowadays was assessed. Wind regime patterns (speed and direction) were analyzed using algorithm CMOD 4 and in the upshot the increase of seasonal and regional variability of windy weather in studied regions was fixed. In frame of these studies wind cadastre appurtenant to the NW part of RF was composed on the basis of satellite SAR survey. In particular the modification of "wind climate" was disclosed. And what is more: it was revealed that intensification of windy weather resulted in intensification of dynamic range of water and ice exchange between the central part of both studied polytypical lakes and their gulfs. These natural processes took place due to widening duration of the open

  8. Time-varying imagery of ice features dynamic scattering in presence climate change: polytypical lakes Ladoga and Peipus as example

    NASA Astrophysics Data System (ADS)

    Melentyev, V. V.; Melentyev, K. V.; Pettersson, L. H.; Mushkudany, M. I.

    2009-04-01

    Problem of dynamical instability of ice conditions and modification of ice regime of polytypical lakes owing to global warming were investigated using time-varying satellite imagery. Deep-water Lake Ladoga and shallow-water Lake Peipus both situated at the north-western part of Russian Federation in moderate climatic zone but possessed different heat capacity were used for comparative studies. The comprehensive analysis of ERS/RADARSAT/Envisat SAR images was provided using the results of long-term studies of thermal structures of these inland waterbodies and peculiarities of their variability during open water season as well calculations of heat supply in different weather conditions. 1993-2008 NERSC/NIERSC SAR archive as well materials sub-satellite experiments onboard research vessel and research aircraft since 1960-s is used. Shipborne observations were used for validation satellite information. Thematic interpretation of satellite data shows that SAR signature of ice could be applied as tracer of various natural processes and phenomena, including climatically and ecologically important ones. As result dependence of hydrological features and the time of freeze-up and ice destruction in both selected lakes in consequence of climate change and softening of winter severity in nowadays was assessed. Wind regime patterns (speed and direction) were analyzed using algorithm CMOD 4 and in the upshot the increase of seasonal and regional variability of windy weather in studied regions was fixed. In frame of these studies wind cadastre appurtenant to the NW part of RF was composed on the basis of satellite SAR survey. In particular the modification of "wind climate" was disclosed. And what is more: it was revealed that intensification of windy weather resulted in intensification of dynamic range of water and ice exchange between the central part of both studied polytypical lakes and their gulfs. These natural processes took place due to widening duration of the open water

  9. Ribosomes in a Stacked Array

    PubMed Central

    Yamashita, Yui; Kadokura, Yoshitomo; Sotta, Naoyuki; Fujiwara, Toru; Takigawa, Ichigaku; Satake, Akiko; Onouchi, Hitoshi; Naito, Satoshi

    2014-01-01

    Expression of CGS1, which codes for an enzyme of methionine biosynthesis, is feedback-regulated by mRNA degradation in response to S-adenosyl-l-methionine (AdoMet). In vitro studies revealed that AdoMet induces translation arrest at Ser-94, upon which several ribosomes stack behind the arrested one, and mRNA degradation occurs at multiple sites that presumably correspond to individual ribosomes in a stacked array. Despite the significant contribution of stacked ribosomes to inducing mRNA degradation, little is known about the ribosomes in the stacked array. Here, we assigned the peptidyl-tRNA species of the stacked second and third ribosomes to their respective codons and showed that they are arranged at nine-codon intervals behind the Ser-94 codon, indicating tight stacking. Puromycin reacts with peptidyl-tRNA in the P-site, releasing the nascent peptide as peptidyl-puromycin. This reaction is used to monitor the activity of the peptidyltransferase center (PTC) in arrested ribosomes. Puromycin reaction of peptidyl-tRNA on the AdoMet-arrested ribosome, which is stalled at the pre-translocation step, was slow. This limited reactivity can be attributed to the peptidyl-tRNA occupying the A-site at this step rather than to suppression of PTC activity. In contrast, puromycin reactions of peptidyl-tRNA with the stacked second and third ribosomes were slow but were not as slow as pre-translocation step ribosomes. We propose that the anticodon end of peptidyl-tRNA resides in the A-site of the stacked ribosomes and that the stacked ribosomes are stalled at an early step of translocation, possibly at the P/E hybrid state. PMID:24652291

  10. High-performance perovskite light-emitting diodes via morphological control of perovskite films.

    PubMed

    Yu, Jae Choul; Kim, Da Bin; Jung, Eui Dae; Lee, Bo Ram; Song, Myoung Hoon

    2016-04-01

    Solution-processable perovskite materials have garnered tremendous attention because of their excellent charge carrier mobility, possibility of a tunable optical bandgap, and high photoluminescence quantum efficiency (PLQE). In particular, the uniform morphology of a perovskite film is the most important factor in realizing perovskite light-emitting diodes (PeLEDs) with high efficiency and full-coverage electroluminescence (EL). In this study, we demonstrate highly efficient PeLEDs that contain a perovskite film with a uniform morphology by introducing HBr into the perovskite precursor. The introduction of HBr into the perovskite precursor results in a perovskite film with a uniform, continuous morphology because the HBr increases the solubility of the inorganic component in the perovskite precursor and reduces the crystallization rate of the perovskite film upon spin-coating. Moreover, PeLEDs fabricated using perovskite films with a uniform, continuous morphology, which were deposited using 6 vol% HBr in a dimethylformamide (DMF)/hydrobromic acid (HBr) cosolvent, exhibited full coverage of the green EL emission. Finally, the optimized PeLEDs fabricated with perovskite films deposited using the DMF/HBr cosolvent exhibited a maximum luminance of 3490 cd m(-2) (at 4.3 V) and a luminous efficiency of 0.43 cd A(-1) (at 4.3 V). PMID:26607474

  11. Iron partitioning between perovskite and post-perovskite: A transmission electron microscope study

    SciTech Connect

    Hirose, K.; Takafuji, N.; Shieh, S.R.; Duffy, T.S.

    2008-09-30

    The effect of iron on the post-perovskite phase transition has been controversial. We have performed direct chemical analyses of co-existing perovskite and post-perovskite that were synthesized from an (Mg{sub 0.91}Fe{sub 0.09})SiO{sub 3} bulk composition using a laser-heated diamond anvil cell at pressures above 100 GPa and temperatures of 1700-1800 K. Analysis on quenched samples was carried out using the transmission electron microscope (TEM). The results demonstrate that crystalline perovskite grains are enriched in iron compared to adjacent amorphous parts presumably converted from post-perovskite. This indicates that ferrous iron stabilizes perovskite to higher pressures. The ferrous and ferric irons are likely to have competing effects on the post-perovskite phase transition, and therefore the effect of iron may be controlled by aluminum.

  12. Semi-transparent perovskite solar cells for tandems with silicon and CIGS

    SciTech Connect

    Bailie, Colin D.; Christoforo, M. Greyson; Mailoa, Jonathan P.; Bowring, Andrea R.; Unger, Eva L.; Nguyen, William H.; Burschka, Julian; Pellet, Norman; Lee, Jungwoo Z.; Grätzel, Michael; Noufi, Rommel; Buonassisi, Tonio; Salleo, Alberto; McGehee, Michael D.

    2014-12-23

    A promising approach for upgrading the performance of an established low-bandgap solar technology without adding much cost is to deposit a high bandgap polycrystalline semiconductor on top to make a tandem solar cell. We use a transparent silver nanowire electrode on perovskite solar cells to achieve a semi-transparent device. We place the semi-transparent cell in a mechanically-stacked tandem configuration onto copper indium gallium diselenide (CIGS) and low-quality multicrystalline silicon (Si) to achieve solid-state polycrystalline tandem solar cells with a net improvement in efficiency over the bottom cell alone. Furthermore, this work paves the way for integrating perovskites into a low-cost and high-efficiency (>25%) tandem cell.

  13. Semi-transparent perovskite solar cells for tandems with silicon and CIGS

    DOE PAGESBeta

    Bailie, Colin D.; Christoforo, M. Greyson; Mailoa, Jonathan P.; Bowring, Andrea R.; Unger, Eva L.; Nguyen, William H.; Burschka, Julian; Pellet, Norman; Lee, Jungwoo Z.; Grätzel, Michael; et al

    2014-12-23

    A promising approach for upgrading the performance of an established low-bandgap solar technology without adding much cost is to deposit a high bandgap polycrystalline semiconductor on top to make a tandem solar cell. We use a transparent silver nanowire electrode on perovskite solar cells to achieve a semi-transparent device. We place the semi-transparent cell in a mechanically-stacked tandem configuration onto copper indium gallium diselenide (CIGS) and low-quality multicrystalline silicon (Si) to achieve solid-state polycrystalline tandem solar cells with a net improvement in efficiency over the bottom cell alone. Furthermore, this work paves the way for integrating perovskites into a low-costmore » and high-efficiency (>25%) tandem cell.« less

  14. Post-perovskite phase transition in MgSiO3.

    PubMed

    Murakami, Motohiko; Hirose, Kei; Kawamura, Katsuyuki; Sata, Nagayoshi; Ohishi, Yasuo

    2004-05-01

    In situ x-ray diffraction measurements of MgSiO3 were performed at high pressure and temperature similar to the conditions at Earth's core-mantle boundary. Results demonstrate that MgSiO3 perovskite transforms to a new high-pressure form with stacked SiO6-octahedral sheet structure above 125 gigapascals and 2500 kelvin (2700-kilometer depth near the base of the mantle) with an increase in density of 1.0 to 1.2%. The origin of the D" seismic discontinuity may be attributed to this post-perovskite phase transition. The new phase may have large elastic anisotropy and develop preferred orientation with platy crystal shape in the shear flow that can cause strong seismic anisotropy below the D" discontinuity. PMID:15073323

  15. The Pleistocene glaciations and the evolutionary history of the polytypic snail species Arianta arbustorum (Gastropoda, Pulmonata, Helicidae).

    PubMed

    Gittenberger, E; Piel, W H; Groenenberg, D S J

    2004-01-01

    The evolutionary history of the snail Arianta arbustorum is controversial. This diverse, polytypic species has two distinct forms: one, with a globular shell and closed umbilicus, is found from lowland to high altitudes; the other, with a depressed shell and open umbilicus, is found at a few scattered, high altitude localities. What is the origin of these two forms? Some believe that the depressed shell is a recent, local, ecotypic adaptation to alpine environments. Others believe that this form is a relic of an ancestral condition that may have survived the Pleistocene glaciations on nunatak-like montane refugia, while the globular shell is a derived condition and its presence at high altitudes follows post-Pleistocene recolonisation. We analysed a portion of the mitochondrial gene cytochrome oxidase I for 100 snails of the species A. arbustorum, three additional Arianta species, and nine outgroup taxa from five genera, in order to understand the phylogeographic history of the species. Despite some confounding artefacts that are likely due to introgression among the morphological forms, the resulting phylogeny shows that the depressed shell is plesiomorphic, while the globular shell is derived. Moreover, their disparate histories suggest that the depressed shell variety survived the glaciations in pockets of alpine refugia, while the globular shell variety recolonised the alpine environment post-glacially. PMID:15022758

  16. Electronic bands and excited states of III-V semiconductor polytypes with screened-exchange density functional calculations

    SciTech Connect

    Akiyama, Toru; Nakamura, Kohji; Ito, Tomonori; Freeman, Arthur J.

    2014-03-31

    The electronic band structures and excited states of III-V semiconductors such as GaP, AlP, AlAs, and AlSb for various polytypes are determined employing the screened-exchange density functional calculations implemented in the full-potential linearized augmented plane-wave methods. We demonstrate that GaP and AlSb in the wurtzite (WZ) structure have direct gap while III-V semiconductors in the zinc blende, 4H, and 6H structures considered in this study exhibit an indirect gap. Furthermore, we find that inclusion of Al atoms less than 17% and 83% in the hexagonal Al{sub x}Ga{sub 1−x}P and Al{sub x}Ga{sub 1−x}As alloys, respectively, leads to a direct transition with a gap energy of ∼2.3 eV. The feasibility of III-V semiconductors with a direct gap in WZ structure offers a possible crystal structure engineering to tune the optical properties of semiconductor materials.

  17. Electronic bands and excited states of III-V semiconductor polytypes with screened-exchange density functional calculations

    NASA Astrophysics Data System (ADS)

    Akiyama, Toru; Nakamura, Kohji; Ito, Tomonori; Freeman, Arthur J.

    2014-03-01

    The electronic band structures and excited states of III-V semiconductors such as GaP, AlP, AlAs, and AlSb for various polytypes are determined employing the screened-exchange density functional calculations implemented in the full-potential linearized augmented plane-wave methods. We demonstrate that GaP and AlSb in the wurtzite (WZ) structure have direct gap while III-V semiconductors in the zinc blende, 4H, and 6H structures considered in this study exhibit an indirect gap. Furthermore, we find that inclusion of Al atoms less than 17% and 83% in the hexagonal AlxGa1-xP and AlxGa1-xAs alloys, respectively, leads to a direct transition with a gap energy of ˜2.3 eV. The feasibility of III-V semiconductors with a direct gap in WZ structure offers a possible crystal structure engineering to tune the optical properties of semiconductor materials.

  18. Achieving High Performance Perovskite Solar Cells

    NASA Astrophysics Data System (ADS)

    Yang, Yang

    2015-03-01

    Recently, metal halide perovskite based solar cell with the characteristics of rather low raw materials cost, great potential for simple process and scalable production, and extreme high power conversion efficiency (PCE), have been highlighted as one of the most competitive technologies for next generation thin film photovoltaic (PV). In UCLA, we have realized an efficient pathway to achieve high performance pervoskite solar cells, where the findings are beneficial to this unique materials/devices system. Our recent progress lies in perovskite film formation, defect passivation, transport materials design, interface engineering with respect to high performance solar cell, as well as the exploration of its applications beyond photovoltaics. These achievements include: 1) development of vapor assisted solution process (VASP) and moisture assisted solution process, which produces perovskite film with improved conformity, high crystallinity, reduced recombination rate, and the resulting high performance; 2) examination of the defects property of perovskite materials, and demonstration of a self-induced passivation approach to reduce carrier recombination; 3) interface engineering based on design of the carrier transport materials and the electrodes, in combination with high quality perovskite film, which delivers 15 ~ 20% PCEs; 4) a novel integration of bulk heterojunction to perovskite solar cell to achieve better light harvest; 5) fabrication of inverted solar cell device with high efficiency and flexibility and 6) exploration the application of perovskite materials to photodetector. Further development in film, device architecture, and interfaces will lead to continuous improved perovskite solar cells and other organic-inorganic hybrid optoelectronics.

  19. Flexible Hybrid Organic-Inorganic Perovskite Memory.

    PubMed

    Gu, Chungwan; Lee, Jang-Sik

    2016-05-24

    Active research has been done on hybrid organic-inorganic perovskite materials for application to solar cells with high power conversion efficiency. However, this material often shows hysteresis, which is undesirable, shift in the current-voltage curve. The hysteresis may come from formation of defects and their movement in perovskite materials. Here, we utilize the defects in perovskite materials to be used in memory operations. We demonstrate flexible nonvolatile memory devices based on hybrid organic-inorganic perovskite as the resistive switching layer on a plastic substrate. A uniform perovskite layer is formed on a transparent electrode-coated plastic substrate by solvent engineering. Flexible nonvolatile memory based on the perovskite layer shows reproducible and reliable memory characteristics in terms of program/erase operations, data retention, and endurance properties. The memory devices also show good mechanical flexibility. It is suggested that resistive switching is done by migration of vacancy defects and formation of conducting filaments under the electric field in the perovskite layer. It is believed that organic-inorganic perovskite materials have great potential to be used in high-performance, flexible memory devices. PMID:27093096

  20. Stability of organometal perovskites with organic overlayers

    NASA Astrophysics Data System (ADS)

    Tran, Catherine D. T.; Liu, Yi; Thibau, Emmanuel S.; Llanos, Adrian; Lu, Zheng-Hong

    2015-08-01

    The air-stability of vapour-phase-deposited methylammonium lead triiodide (CH3NH3PbI3) perovskite thin films has been studied using X-ray diffraction. It is found that the perovskite structure without organic coating decomposes completely within a short period of time (˜two days) upon exposure to ambient environment. The degradation of the perovskite structure is drastically reduced when the perovskite films are capped with thin N,N'-Di(1-naphthyl)-N,N'-diphenyl-(1,1'-biphenyl)-4,4'-diamine (NPB) films. We discovered that the amount of lead iodide (PbI2), a product of the degradation, grows as a function of time in a sigmoidal manner. Further mathematical modeling analysis shows that the perovskite degradation follows the Avrami equation, a kinetics theory developed for quantifying phase transformations in solid-state materials.

  1. Efficient Luminescence from Perovskite Quantum Dot Solids.

    PubMed

    Kim, Younghoon; Yassitepe, Emre; Voznyy, Oleksandr; Comin, Riccardo; Walters, Grant; Gong, Xiwen; Kanjanaboos, Pongsakorn; Nogueira, Ana F; Sargent, Edward H

    2015-11-18

    Nanocrystals of CsPbX3 perovskites are promising materials for light-emitting optoelectronics because of their colloidal stability, optically tunable bandgap, bright photoluminescence, and excellent photoluminescence quantum yield. Despite their promise, nanocrystal-only films of CsPbX3 perovskites have not yet been fabricated; instead, highly insulating polymers have been relied upon to compensate for nanocrystals' unstable surfaces. We develop solution chemistry that enables single-step casting of perovskite nanocrystal films and overcomes problems in both perovskite quantum dot purification and film fabrication. Centrifugally cast films retain bright photoluminescence and achieve dense and homogeneous morphologies. The new materials offer a platform for optoelectronic applications of perovskite quantum dot solids. PMID:26529572

  2. Perovskite Superlattices as Tunable Microwave Devices

    NASA Technical Reports Server (NTRS)

    Christen, H. M.; Harshavardhan, K. S.

    2003-01-01

    Experiments have shown that superlattices that comprise alternating epitaxial layers of dissimilar paraelectric perovskites can exhibit large changes in permittivity with the application of electric fields. The superlattices are potentially useful as electrically tunable dielectric components of such microwave devices as filters and phase shifters. The present superlattice approach differs fundamentally from the prior use of homogeneous, isotropic mixtures of base materials and dopants. A superlattice can comprise layers of two or more perovskites in any suitable sequence (e.g., ABAB..., ABCDABCD..., ABACABACA...). Even though a single layer of one of the perovskites by itself is not tunable, the compositions and sequence of the layers can be chosen so that (1) the superlattice exhibits low microwave loss and (2) the interfacial interaction between at least two of the perovskites in the superlattice renders either the entire superlattice or else at least one of the perovskites tunable.

  3. Non-collinear magnetism in multiferroic perovskites.

    PubMed

    Bousquet, Eric; Cano, Andrés

    2016-03-31

    We present an overview of the current interest in non-collinear magnetism in multiferroic perovskite crystals. We first describe the different microscopic mechanisms giving rise to the non-collinearity of spins in this class of materials. We discuss, in particular, the interplay between non-collinear magnetism and ferroelectric and antiferrodistortive distortions of the perovskite structure, and how this can promote magnetoelectric responses. We then provide a literature survey on non-collinear multiferroic perovskites. We discuss numerous examples of spin cantings driving weak ferromagnetism in transition metal perovskites, and of spin-induced ferroelectricity as observed in the rare-earth based perovskites. These examples are chosen to best illustrate the fundamental role of non-collinear magnetism in the design of multiferroicity. PMID:26912212

  4. Organohalide Lead Perovskites for Photovoltaic Applications.

    PubMed

    Yusoff, Abd Rashid Bin Mohd; Nazeeruddin, Mohammad Khaja

    2016-03-01

    Perovskite solar cells have recently exhibited a significant leap in efficiency due to their broad absorption, high optical absorption coefficient, very low exciton binding energy, long carrier diffusion lengths, efficient charge collection, and very high open-circuit potential, similar to that of III-IV semiconductors. Unlike silicon solar cells, perovskite solar cells can be developed from a variety of low-temperature solutions processed from inexpensive raw materials. When the perovskite absorber film formation is optimized using solvent engineering, a power conversion efficiency of over 21% has been demonstrated, highlighting the unique photovoltaic properties of perovskite materials. Here, we review the current progress in perovskite solar cells and charge transport materials. We highlight crucial challenges and provide a summary and prospects. PMID:26885884

  5. Stability of organometal perovskites with organic overlayers

    SciTech Connect

    Tran, Catherine D. T.; Liu, Yi; Thibau, Emmanuel S.; Llanos, Adrian; Lu, Zheng-Hong

    2015-08-15

    The air-stability of vapour-phase-deposited methylammonium lead triiodide (CH{sub 3}NH{sub 3}PbI{sub 3}) perovskite thin films has been studied using X-ray diffraction. It is found that the perovskite structure without organic coating decomposes completely within a short period of time (∼two days) upon exposure to ambient environment. The degradation of the perovskite structure is drastically reduced when the perovskite films are capped with thin N,N′-Di(1-naphthyl)-N,N′-diphenyl-(1,1′-biphenyl)-4,4′-diamine (NPB) films. We discovered that the amount of lead iodide (PbI{sub 2}), a product of the degradation, grows as a function of time in a sigmoidal manner. Further mathematical modeling analysis shows that the perovskite degradation follows the Avrami equation, a kinetics theory developed for quantifying phase transformations in solid-state materials.

  6. Thermal and Environmental Stability of Semi-Transparent Perovskite Solar Cells for Tandems Enabled by a Solution-Processed Nanoparticle Buffer Layer and Sputtered ITO Electrode.

    PubMed

    Bush, Kevin A; Bailie, Colin D; Chen, Ye; Bowring, Andrea R; Wang, Wei; Ma, Wen; Leijtens, Tomas; Moghadam, Farhad; McGehee, Michael D

    2016-05-01

    A sputtered oxide layer enabled by a solution-processed oxide nanoparticle buffer layer to protect underlying layers is used to make semi-transparent perovskite solar cells. Single-junction semi-transparent cells are 12.3% efficient, and mechanically stacked tandems on silicon solar cells are 18.0% efficient. The semi-transparent perovskite solar cell has a T 80 lifetime of 124 h when operated at the maximum power point at 100 °C without additional sealing in ambient atmosphere under visible illumination. PMID:26880196

  7. 49 CFR 178.1055 - Stacking test.

    Code of Federal Regulations, 2013 CFR

    2013-10-01

    ... 49 Transportation 3 2013-10-01 2013-10-01 false Stacking test. 178.1055 Section 178.1055... Containers § 178.1055 Stacking test. (a) General. The stacking test must be conducted for the qualification of all Flexible Bulk Containers design types. (b) Special preparation for the stacking test....

  8. Fuel cell stack compressive loading system

    DOEpatents

    Fahle, Ronald W.; Reiser, Carl A.

    1982-01-01

    A fuel cell module comprising a stack of fuel cells with reactant gas manifolds sealed against the external surfaces of the stack includes a constraint system for providing a compressive load on the stack wherein the constraint system maintains the stack at a constant height (after thermal expansion) and allows the compressive load to decrease with time as a result of the creep characteristics of the stack. Relative motion between the manifold sealing edges and the stack surface is virtually eliminated by this constraint system; however it can only be used with a stack having considerable resiliency and appropriate thermal expansion and creep characteristics.

  9. Large Grained Perovskite Solar Cells Derived from Single-Crystal Perovskite Powders with Enhanced Ambient Stability.

    PubMed

    Yen, Hung-Ju; Liang, Po-Wei; Chueh, Chu-Chen; Yang, Zhibin; Jen, Alex K-Y; Wang, Hsing-Lin

    2016-06-15

    In this study, we demonstrate the large grained perovskite solar cells prepared from precursor solution comprising single-crystal perovskite powders for the first time. The resultant large grained perovskite thin film possesses a negligible physical (structural) gap between each large grain and is highly crystalline as evidenced by its fan-shaped birefringence observed under polarized light, which is very different from the thin film prepared from the typical precursor route (MAI + PbI2). PMID:27224963

  10. Stacking interactions and DNA intercalation

    SciTech Connect

    Li, Dr. Shen; Cooper, Valentino R; Thonhauser, Prof. Timo; Lundqvist, Prof. Bengt I.; Langreth, David C.

    2009-01-01

    The relationship between stacking interactions and the intercalation of proflavine and ellipticine within DNA is investigated using a nonempirical van der Waals density functional for the correlation energy. Our results, employing a binary stack model, highlight fundamental, qualitative differences between base-pair base-pair interactions and that of the stacked intercalator base pair system. Most notable result is the paucity of torque which so distinctively defines the Twist of DNA. Surprisingly, this model, when combined with a constraint on the twist of the surrounding base-pair steps to match the observed unwinding of the sugar-phosphate backbone, was sufficient for explaining the experimentally observed proflavine intercalator configuration. Our extensive mapping of the potential energy surface of base-pair intercalator interactions can provide valuable information for future nonempirical studies of DNA intercalation dynamics.

  11. Split stack blowout prevention system

    SciTech Connect

    Crager, B.L.; Ray, D.R.; Steddum, R.E.

    1980-03-18

    A blowout prevention system for an offshore structure positioned on the underwater bottom in a body of water which contains moving ice masses that could force the structure off location wherein a surface blowout preventer stack for conventional well control is connected to the upper end of a riser with the lower end of the riser being disconnectably connected to a subsurface blowout preventer stack which provides the necessary well control should the structure be forced off location. The subsurface stack is positioned on a wellhead located in a chamber in the subsea bottom and is disconnectably connected to the riser so that the riser may be quickly removed from the subsea bottom should the structure be forced off location.

  12. Perovskites: transforming photovoltaics, a mini-review

    SciTech Connect

    Chilvery, Ashwith; Batra, Ashok; Yang, Bin; Xiao, Kai; Guggilla, Padmaja; Aggarwal, Mohan; Surabhi, Raja; Lal, Ravi; Currie, James; Penn, Benjamin

    2015-01-01

    The recent power-packed advent of perovskite solar cells is transforming photovol- taics (PV) with their superior efficiencies, ease of fabrication, and cost. This perovskite solar cell further boasts of many unexplored features that can further enhance its PV properties and lead to it being branded as a successful commercial product. This article provides a detailed insight of the organometal halide based perovskite structure, its unique stoichiometric design, and its underlying principles for PV applications. The compatibility of various PV layers and its fab- rication methods is also discussed.

  13. Perovskites: transforming photovoltaics, a mini-review

    DOE PAGESBeta

    Chilvery, Ashwith Kumar; Batra, Ashok K.; Yang, Bin; Xiao, Kai; Guggilla, Padmaja; Aggarwal, Mohan D.; Surabhi, Raja; Lal, Ravi B.; Currie, James R.; Penn, Benjamin G.

    2015-01-06

    The recent power-packed advent of perovskite solar cells is transforming photovoltaics (PV) with their superior efficiencies, ease of fabrication, and cost. This perovskite solar cell further boasts of many unexplored features that can further enhance its PV properties and lead to it being branded as a successful commercial product. This paper provides a detailed insight of the organometal halide based perovskite structure, its unique stoichiometric design, and its underlying principles for PV applications. Finally, the compatibility of various PV layers and its fabrication methods is also discussed.

  14. Templated Synthesis of Uniform Perovskite Nanowire Arrays.

    PubMed

    Ashley, Michael J; O'Brien, Matthew N; Hedderick, Konrad R; Mason, Jarad A; Ross, Michael B; Mirkin, Chad A

    2016-08-17

    While the chemical composition of semiconducting metal halide perovskites can be precisely controlled in thin films for photovoltaic devices, the synthesis of perovskite nanostructures with tunable dimensions and composition has not been realized. Here, we describe the templated synthesis of uniform perovskite nanowires with controlled diameter (50-200 nm). Importantly, by providing three examples (CH3NH3PbI3, CH3NH3PbBr3, and Cs2SnI6), we show that this process is composition general and results in oriented nanowire arrays on transparent conductive substrates. PMID:27501464

  15. Strongly correlated perovskite fuel cells.

    PubMed

    Zhou, You; Guan, Xiaofei; Zhou, Hua; Ramadoss, Koushik; Adam, Suhare; Liu, Huajun; Lee, Sungsik; Shi, Jian; Tsuchiya, Masaru; Fong, Dillon D; Ramanathan, Shriram

    2016-06-01

    Fuel cells convert chemical energy directly into electrical energy with high efficiencies and environmental benefits, as compared with traditional heat engines. Yttria-stabilized zirconia is perhaps the material with the most potential as an electrolyte in solid oxide fuel cells (SOFCs), owing to its stability and near-unity ionic transference number. Although there exist materials with superior ionic conductivity, they are often limited by their ability to suppress electronic leakage when exposed to the reducing environment at the fuel interface. Such electronic leakage reduces fuel cell power output and the associated chemo-mechanical stresses can also lead to catastrophic fracture of electrolyte membranes. Here we depart from traditional electrolyte design that relies on cation substitution to sustain ionic conduction. Instead, we use a perovskite nickelate as an electrolyte with high initial ionic and electronic conductivity. Since many such oxides are also correlated electron systems, we can suppress the electronic conduction through a filling-controlled Mott transition induced by spontaneous hydrogen incorporation. Using such a nickelate as the electrolyte in free-standing membrane geometry, we demonstrate a low-temperature micro-fabricated SOFC with high performance. The ionic conductivity of the nickelate perovskite is comparable to the best-performing solid electrolytes in the same temperature range, with a very low activation energy. The results present a design strategy for high-performance materials exhibiting emergent properties arising from strong electron correlations. PMID:27279218

  16. Microstructure dynamics in orthorhombic perovskites

    NASA Astrophysics Data System (ADS)

    Zhang, Zhiying; Koppensteiner, Johannes; Schranz, Wilfried; Betts, Jonathan B.; Migliori, Albert; Carpenter, Michael A.

    2010-07-01

    Anelastic loss mechanisms associated with phase transitions in BaCeO3 have been investigated at relatively high frequency ˜1MHz and low stress by resonant ultrasound spectroscopy (RUS), and at relatively low frequency ˜1Hz and high stress by dynamic mechanical analysis (DMA). Changes in the elastic moduli and dissipation behavior clearly indicate phase transitions due to octahedral tilting: Pnma↔Imma↔R3¯c↔Pm3¯m structures at 551 K, 670 K, and 1168 K, and strain analysis shows that they are tricritical, first-order, and second-order phase transitions, respectively. Structures with intermediate tilt states ( R3¯c and Imma structures) show substantial anelastic softening and dissipation associated with the mobility of twin walls under applied stress. The Pnma structure shows elastic stiffening which may be due to the simultaneous operation of two discrete order parameters with different symmetries. In contrast with studies of other perovskites, BaCeO3 shows strong dissipation at both DMA and RUS frequencies in the stability field of the Pnma structure. This is evidence that ferroelastic twin walls might become mobile in Pnma perovskites and suggests that shearing of the octahedra may be a significant factor.

  17. Strongly correlated perovskite fuel cells

    NASA Astrophysics Data System (ADS)

    Zhou, You; Guan, Xiaofei; Zhou, Hua; Ramadoss, Koushik; Adam, Suhare; Liu, Huajun; Lee, Sungsik; Shi, Jian; Tsuchiya, Masaru; Fong, Dillon D.; Ramanathan, Shriram

    2016-06-01

    Fuel cells convert chemical energy directly into electrical energy with high efficiencies and environmental benefits, as compared with traditional heat engines. Yttria-stabilized zirconia is perhaps the material with the most potential as an electrolyte in solid oxide fuel cells (SOFCs), owing to its stability and near-unity ionic transference number. Although there exist materials with superior ionic conductivity, they are often limited by their ability to suppress electronic leakage when exposed to the reducing environment at the fuel interface. Such electronic leakage reduces fuel cell power output and the associated chemo-mechanical stresses can also lead to catastrophic fracture of electrolyte membranes. Here we depart from traditional electrolyte design that relies on cation substitution to sustain ionic conduction. Instead, we use a perovskite nickelate as an electrolyte with high initial ionic and electronic conductivity. Since many such oxides are also correlated electron systems, we can suppress the electronic conduction through a filling-controlled Mott transition induced by spontaneous hydrogen incorporation. Using such a nickelate as the electrolyte in free-standing membrane geometry, we demonstrate a low-temperature micro-fabricated SOFC with high performance. The ionic conductivity of the nickelate perovskite is comparable to the best-performing solid electrolytes in the same temperature range, with a very low activation energy. The results present a design strategy for high-performance materials exhibiting emergent properties arising from strong electron correlations.

  18. Anharmonic stacking in supercoiled DNA

    NASA Astrophysics Data System (ADS)

    Zoli, Marco

    2012-05-01

    Multistep denaturation in a short circular DNA molecule is analyzed by a mesoscopic Hamiltonian model which accounts for the helicoidal geometry. Computation of melting profiles by the path integral method suggests that stacking anharmonicity stabilizes the double helix against thermal disruption of the hydrogen bonds. Twisting is essential in the model to capture the importance of nonlinear effects on the thermodynamical properties. In a ladder model with zero twist, anharmonic stacking scarcely affects the thermodynamics. Moderately untwisted helices, with respect to the equilibrium conformation, show an energetic advantage against the overtwisted ones. Accordingly moderately untwisted helices better sustain local fluctuational openings and make more unlikely the thermally driven complete strand separation.

  19. Pressurized electrolysis stack with thermal expansion capability

    DOEpatents

    Bourgeois, Richard Scott

    2015-07-14

    The present techniques provide systems and methods for mounting an electrolyzer stack in an outer shell so as to allow for differential thermal expansion of the electrolyzer stack and shell. Generally, an electrolyzer stack may be formed from a material with a high coefficient of thermal expansion, while the shell may be formed from a material having a lower coefficient of thermal expansion. The differences between the coefficients of thermal expansion may lead to damage to the electrolyzer stack as the shell may restrain the thermal expansion of the electrolyzer stack. To allow for the differences in thermal expansion, the electrolyzer stack may be mounted within the shell leaving a space between the electrolyzer stack and shell. The space between the electrolyzer stack and the shell may be filled with a non-conductive fluid to further equalize pressure inside and outside of the electrolyzer stack.

  20. High-performance perovskite light-emitting diodes via morphological control of perovskite films

    NASA Astrophysics Data System (ADS)

    Yu, Jae Choul; Kim, Da Bin; Jung, Eui Dae; Lee, Bo Ram; Song, Myoung Hoon

    2016-03-01

    Solution-processable perovskite materials have garnered tremendous attention because of their excellent charge carrier mobility, possibility of a tunable optical bandgap, and high photoluminescence quantum efficiency (PLQE). In particular, the uniform morphology of a perovskite film is the most important factor in realizing perovskite light-emitting diodes (PeLEDs) with high efficiency and full-coverage electroluminescence (EL). In this study, we demonstrate highly efficient PeLEDs that contain a perovskite film with a uniform morphology by introducing HBr into the perovskite precursor. The introduction of HBr into the perovskite precursor results in a perovskite film with a uniform, continuous morphology because the HBr increases the solubility of the inorganic component in the perovskite precursor and reduces the crystallization rate of the perovskite film upon spin-coating. Moreover, PeLEDs fabricated using perovskite films with a uniform, continuous morphology, which were deposited using 6 vol% HBr in a dimethylformamide (DMF)/hydrobromic acid (HBr) cosolvent, exhibited full coverage of the green EL emission. Finally, the optimized PeLEDs fabricated with perovskite films deposited using the DMF/HBr cosolvent exhibited a maximum luminance of 3490 cd m-2 (at 4.3 V) and a luminous efficiency of 0.43 cd A-1 (at 4.3 V).Solution-processable perovskite materials have garnered tremendous attention because of their excellent charge carrier mobility, possibility of a tunable optical bandgap, and high photoluminescence quantum efficiency (PLQE). In particular, the uniform morphology of a perovskite film is the most important factor in realizing perovskite light-emitting diodes (PeLEDs) with high efficiency and full-coverage electroluminescence (EL). In this study, we demonstrate highly efficient PeLEDs that contain a perovskite film with a uniform morphology by introducing HBr into the perovskite precursor. The introduction of HBr into the perovskite precursor results in

  1. Investigation of growth of thin layers of perovskite on native silicon dioxide by a combination of atomic force microscopy and transmission electron microscopy

    NASA Astrophysics Data System (ADS)

    Taghi Khani, A.; Walther, T.

    2013-11-01

    Thin layers of (Sr,Ba)TiO3 perovskite have been grown on native silicon dioxide by pulsed laser deposition at the Technical University of Darmstadt, Germany. Atomic force microscopy (AFM) has been used to investigate the surfaces of the native silicon oxide before and after over-growth by the perovskite in plan-view. Bright-field and dark-field scanning transmission electron microscopy (STEM) in a JEOL 2010F field-emission transmission electron microscope have been combined to investigate the layer stacks of Si/SiO2/(Ba,Sr)TiO3 in cross-section. The aim is to correlate surface roughnesses in plan-view geometry with interface roughness in cross-sectional geometry, with an emphasis on detecting percolation in the perovskite layers if they approach thicknesses of only a few unit cells.

  2. Multibeam collimator uses prism stack

    NASA Technical Reports Server (NTRS)

    Minott, P. O.

    1981-01-01

    Optical instrument creates many divergent light beams for surveying and machine element alignment applications. Angles and refractive indices of stack of prisms are selected to divert incoming laser beam by small increments, different for each prism. Angles of emerging beams thus differ by small, precisely-controlled amounts. Instrument is nearly immune to vibration, changes in gravitational force, temperature variations, and mechanical distortion.

  3. STACK SAMPLING FOR ORGANIC EMISSIONS

    EPA Science Inventory

    The paper reviews some of the more important principles involved in stack sampling for organics, briefly describes and discusses recently developed equipment, and points out a few of the more serious pitfalls. Extensive references are provided, many of which are often overlooked ...

  4. Multilayer Piezoelectric Stack Actuator Characterization

    NASA Technical Reports Server (NTRS)

    Sherrit, Stewart; Jones, Christopher M.; Aldrich, Jack B.; Blodget, Chad; Bao, Xioaqi; Badescu, Mircea; Bar-Cohen, Yoseph

    2008-01-01

    Future NASA missions are increasingly seeking to use actuators for precision positioning to accuracies of the order of fractions of a nanometer. For this purpose, multilayer piezoelectric stacks are being considered as actuators for driving these precision mechanisms. In this study, sets of commercial PZT stacks were tested in various AC and DC conditions at both nominal and extreme temperatures and voltages. AC signal testing included impedance, capacitance and dielectric loss factor of each actuator as a function of the small-signal driving sinusoidal frequency, and the ambient temperature. DC signal testing includes leakage current and displacement as a function of the applied DC voltage. The applied DC voltage was increased to over eight times the manufacturers' specifications to investigate the correlation between leakage current and breakdown voltage. Resonance characterization as a function of temperature was done over a temperature range of -180C to +200C which generally exceeded the manufacturers' specifications. In order to study the lifetime performance of these stacks, five actuators from one manufacturer were driven by a 60volt, 2 kHz sine-wave for ten billion cycles. The tests were performed using a Lab-View controlled automated data acquisition system that monitored the waveform of the stack electrical current and voltage. The measurements included the displacement, impedance, capacitance and leakage current and the analysis of the experimental results will be presented.

  5. Progress Update: Stack Project Complete

    ScienceCinema

    Cody, Tom

    2012-06-14

    Progress update from the Savannah River Site. The 75 foot 293 F Stack, built for plutonium production, was cut down to size in order to prevent injury or release of toxic material if the structure were to collapse due to harsh weather.

  6. Progress Update: Stack Project Complete

    SciTech Connect

    Cody, Tom

    2010-01-01

    Progress update from the Savannah River Site. The 75 foot 293 F Stack, built for plutonium production, was cut down to size in order to prevent injury or release of toxic material if the structure were to collapse due to harsh weather.

  7. POLYMERIC INTERFACES FOR STACK MONITORING

    EPA Science Inventory

    Research has been performed on the use of polymeric interfaces for in situ continuous stack monitoring of gaseous pollutants. Permeabilities of candidate interface materials to SO2 were measured at temperatures from ambient to 200C, and the results were used to design interfaces ...

  8. Toxicity of organometal halide perovskite solar cells

    NASA Astrophysics Data System (ADS)

    Babayigit, Aslihan; Ethirajan, Anitha; Muller, Marc; Conings, Bert

    2016-03-01

    In the last few years, the advent of metal halide perovskite solar cells has revolutionized the prospects of next-generation photovoltaics. As this technology is maturing at an exceptional rate, research on its environmental impact is becoming increasingly relevant.

  9. Modular fuel-cell stack assembly

    DOEpatents

    Patel, Pinakin; Urko, Willam

    2008-01-29

    A modular multi-stack fuel-cell assembly in which the fuel-cell stacks are situated within a containment structure and in which a gas distributor is provided in the structure and distributes received fuel and oxidant gases to the stacks and receives exhausted fuel and oxidant gas from the stacks so as to realize a desired gas flow distribution and gas pressure differential through the stacks. The gas distributor is centrally and symmetrically arranged relative to the stacks so that it itself promotes realization of the desired gas flow distribution and pressure differential.

  10. An above-room-temperature ferroelectric organo-metal halide perovskite: (3-pyrrolinium)(CdCl₃).

    PubMed

    Ye, Heng-Yun; Zhang, Yi; Fu, Da-Wei; Xiong, Ren-Gen

    2014-10-13

    Hybrid organo-metal halide perovskite materials, such as CH3NH3PbI3, have been shown to be some of the most competitive candidates for absorber materials in photovoltaic (PV) applications. However, their potential has not been completely developed, because a photovoltaic effect with an anomalously large voltage can be achieved only in a ferroelectric phase, while these materials are probably ferroelectric only at temperatures below 180 K. A new hexagonal stacking perovskite-type complex (3-pyrrolinium)(CdCl3) exhibits above-room-temperature ferroelectricity with a Curie temperature T(c)=316 K and a spontaneous polarization P(s)=5.1 μC cm(-2). The material also exhibits antiparallel 180° domains which are related to the anomalous photovoltaic effect. The open-circuit photovoltage for a 1 mm-thick bulky crystal reaches 32 V. This finding could provide a new approach to develop solar cells based on organo-metal halide perovskites in photovoltaic research. PMID:25196506

  11. Ambipolar solution-processed hybrid perovskite phototransistors

    PubMed Central

    Li, Feng; Ma, Chun; Wang, Hong; Hu, Weijin; Yu, Weili; Sheikh, Arif D.; Wu, Tom

    2015-01-01

    Organolead halide perovskites have attracted substantial attention because of their excellent physical properties, which enable them to serve as the active material in emerging hybrid solid-state solar cells. Here we investigate the phototransistors based on hybrid perovskite films and provide direct evidence for their superior carrier transport property with ambipolar characteristics. The field-effect mobilities for triiodide perovskites at room temperature are measured as 0.18 (0.17) cm2 V−1 s−1 for holes (electrons), which increase to 1.24 (1.01) cm2 V−1 s−1 for mixed-halide perovskites. The photoresponsivity of our hybrid perovskite devices reaches 320 A W−1, which is among the largest values reported for phototransistors. Importantly, the phototransistors exhibit an ultrafast photoresponse speed of less than 10 μs. The solution-based process and excellent device performance strongly underscore hybrid perovskites as promising material candidates for photoelectronic applications. PMID:26345730

  12. Perovskite Solar Cells: Beyond Methylammonium Lead Iodide.

    PubMed

    Boix, Pablo P; Agarwala, Shweta; Koh, Teck Ming; Mathews, Nripan; Mhaisalkar, Subodh G

    2015-03-01

    Organic-inorganic lead halide based perovskites solar cells are by far the highest efficiency solution-processed solar cells, threatening to challenge thin film and polycrystalline silicon ones. Despite the intense research in this area, concerns surrounding the long-term stability as well as the toxicity of lead in the archetypal perovskite, CH3NH3PbI3, have the potential to derail commercialization. Although the search for Pb-free perovskites have naturally shifted to other transition metal cations and formulations that replace the organic moiety, efficiencies with these substitutions are still substantially lower than those of the Pb-perovskite. The perovskite family offers rich multitudes of crystal structures and substituents with the potential to uncover new and exciting photophysical phenomena that hold the promise of higher solar cell efficiencies. In addressing materials beyond CH3NH3PbI3, this Perspective will discuss a broad palette of elemental substitutions, solid solutions, and multidimensional families that will provide the next fillip toward market viability of the perovskite solar cells. PMID:26262670

  13. Multiferroicity in Perovskite Manganite Superlattice

    NASA Astrophysics Data System (ADS)

    Tao, Yong-Mei; Jiang, Xue-Fan; Liu, Jun-Ming

    2016-08-01

    Multiferroic properties of short period perovskite type manganite superlattice ((R1MnO3)n/(R2MnO3)n (n=1,2,3)) are considered within the framework of classical Heisenberg model using Monte Carlo simulation. Our result revealed the interesting behaviors in Mn spins structure in superlattice. Apart from simple plane spin cycloid structure which is shown in all manganites including bulk, film, and superlattice here in low temperature, a non-coplanar spiral spin structure is exhibited in a certain temperature range when n equals 1, 2 or 3. Specific heat, spin-helicity vector, spin correlation function, spin-helicity correlation function, and spin configuration are calculated to confirm this non-coplanar spiral spin structure. These results are associated with the competition among exchange interaction, magnetic anisotropy, and Dzyaloshinskii-Moriya interaction. Supported by the National Natural Science Foundation of China (NSFC) under Grant No. 11447136

  14. Research Update: Interface-engineered oxygen octahedral tilts in perovskite oxide heterostructures

    SciTech Connect

    Kan, Daisuke Aso, Ryotaro; Kurata, Hiroki; Shimakawa, Yuichi

    2015-06-01

    Interface engineering of structural distortions is a key for exploring the functional properties of oxide heterostructures and superlattices. In this paper, we report on our comprehensive investigations of oxygen octahedral distortions at the heterointerface between perovskite oxides SrRuO{sub 3} and BaTiO{sub 3} on GdScO{sub 3} substrates and of the influences of the interfacially engineered distortions on the magneto-transport properties of the SrRuO{sub 3} layer. Our state-of-the-art annular bright-field imaging in aberration-corrected scanning transmission electron microscopy revealed that the RuO{sub 6} octahedral distortions in the SrRuO{sub 3} layer have strong dependence on the stacking order of the SrRuO{sub 3} and BaTiO{sub 3} layers on the substrate. This can be attributed to the difference in the interfacial octahedral connections. We also found that the stacking order of the oxide layers has a strong impact on the magneto-transport properties, allowing for control of the magnetic anisotropy of the SrRuO{sub 3} layer through interface engineering. Our results demonstrate the significance of the interface engineering of the octahedral distortions on the structural and physical properties of perovskite oxides.

  15. Study of the effect of doped impurities on polytype stability during PVT growth of SiC using 2D nucleation theory

    NASA Astrophysics Data System (ADS)

    Shiramomo, T.; Gao, B.; Mercier, F.; Nishizawa, S.; Nakano, S.; Kakimoto, K.

    2014-01-01

    The effect of nitrogen and aluminum as doped impurities on the stability of SiC polytypes (C- or Si-face 4H and 6H substrates) formed by physical vapor transport (PVT) was investigated. The stability of the polytypes was analyzed using classical thermodynamic nucleation theory with numerical results obtained from a global model including heat, mass and species transfer in a PVT furnace. The results reveal that the formation of 4H-SiC was more stable than that of 6H-SiC when a grown crystal was doped with nitrogen using C-face 4H- and 6H-SiC as seed crystals. In contrast, formation of 6H-SiC was favored over 4H-SiC when Si-face 4H- and 6H-SiC seed crystals were used. Meanwhile, the formation of 4H-SiC was more stable than that of 6H-SiC when aluminum was the dopant and C- and Si-faces of 6H-SiC were used as seed crystals. Formation of 6H-SiC occurred over that of 4H-SiC in the cases of C- and Si-faces of 4H-SiC as seed crystals.

  16. Effect of symmetry reduction on the electronic transitions in polytypic GdAl3(BO3)4:Eu:Tb crystals

    NASA Astrophysics Data System (ADS)

    Lengyel, K.; Beregi, E.; Földvári, I.; Corradi, G.; Kovács, L.; Solarz, P.; Ryba-Romanowski, W.

    2016-03-01

    The existence of a recently described monoclinic phase (C2/c, Z = 8) (Beregi et al., 2012) in addition to the well-known Huntite type rhombohedral (R32) polytypic modification of the GdAl3(BO3)4 (GAB) crystal at room temperature provides a unique possibility to investigate the incorporation of rare earth dopants into slightly modified crystal lattice by spectroscopic methods. In these characteristic GAB structures the dopant ions, e.g. Tb3+ or Eu3+, possess slightly different neighbor geometries and local symmetries. The Tb3+: 7F6 → 5D4 and Eu3+: 7F0,1,2 → 5D0,1,2 electronic transitions were successfully identified in the absorption spectra using polarization, concentration and temperature dependent measurements in both polytypic modifications. The positions of the investigated Tb lines are shifted by up to 10 cm-1 due to symmetry changes. In addition, some of the Eu lines show splittings of about 4-30 cm-1 as a consequence of the change of the local environment. From the room temperature absorption measurements some of the low energy crystal field levels of 7F and 5D states of the Eu3+ ions were successfully determined for both modifications.

  17. Effect of Perovskite Overlayers on TiO2 Electrodes in Perovskite-Sensitized Solar Cells.

    PubMed

    Kim, Kang-Pil; Kim, Jeong-Hwa; Hwang, Dae-Kue

    2016-05-01

    In this paper, we have studied the effect of the thickness of a CH3NH3PbI3 perovskite overlayer on mesoporous TiO2 electrodes in perovskite solar cells. The overlayers were prepared by spin coating PbI2 films on the electrodes, which were subsequently exposed to a CH3NH3I/2-propanol solution. We controlled the thickness of the perovskite overlayer by changing the PbI2 solution concentration. The thicknesses of the overlayers spin-coated from 0.5, 0.75, 0.9, and 1 M PbI2 solutions were approximately 179, 262, 316, and 341 nm, respectively. Perovskite solar cells with an approximately 316-nm-thick overlayer showed the highest efficiency of 9.11%. We conclude that optimization of the perovskite overlayer thickness in the solar cell structure is necessary to improve the cell efficiency. PMID:27483921

  18. Ba4Ru3O10.2(OH)1.8: a new member of the layered hexagonal perovskite family crystallised from water.

    PubMed

    Hiley, Craig I; Lees, Martin R; Hammond, David L; Kashtiban, Reza J; Sloan, Jeremy; Smith, Ronald I; Walton, Richard I

    2016-05-11

    A new barium ruthenium oxyhydroxide Ba4Ru3O10.2(OH)1.8 crystallises under hydrothermal conditions at 200 °C: powder neutron diffraction data show it adopts an 8H hexagonal perovskite structure with a new stacking sequence, while high resolution electron microscopy reveals regions of ordered layers of vacant Ru sites, and magnetometry shows antiferromagnetism with TN = 200(5) K. PMID:27074292

  19. 49 CFR 178.980 - Stacking test.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... the qualification of all Large Packagings design types intended to be stacked. (b) Special preparation for the stacking test. (1) All Large Packagings except flexible Large Packaging design types must be... permissible gross mass and stacked on the test Large Packaging; (ii) The calculated superimposed test...

  20. 49 CFR 178.606 - Stacking test.

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ... 49 Transportation 3 2011-10-01 2011-10-01 false Stacking test. 178.606 Section 178.606... Packagings and Packages § 178.606 Stacking test. (a) General. All packaging design types other than bags must be subjected to a stacking test. (b) Number of test samples. Three test samples are required for...

  1. 49 CFR 178.980 - Stacking test.

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ... 49 Transportation 3 2011-10-01 2011-10-01 false Stacking test. 178.980 Section 178.980... Packagings § 178.980 Stacking test. (a) General. The stacking test must be conducted for the qualification of... test. (1) All Large Packagings except flexible Large Packaging design types must be loaded to...

  2. 49 CFR 178.980 - Stacking test.

    Code of Federal Regulations, 2013 CFR

    2013-10-01

    ... 49 Transportation 3 2013-10-01 2013-10-01 false Stacking test. 178.980 Section 178.980... Packagings § 178.980 Stacking test. (a) General. The stacking test must be conducted for the qualification of... test. (1) All Large Packagings except flexible Large Packaging design types must be loaded to...

  3. 49 CFR 178.606 - Stacking test.

    Code of Federal Regulations, 2013 CFR

    2013-10-01

    ... 49 Transportation 3 2013-10-01 2013-10-01 false Stacking test. 178.606 Section 178.606... Packagings and Packages § 178.606 Stacking test. (a) General. All packaging design types other than bags must be subjected to a stacking test. (b) Number of test samples. Three test samples are required for...

  4. Making and Breaking of Lead Halide Perovskites.

    PubMed

    Manser, Joseph S; Saidaminov, Makhsud I; Christians, Jeffrey A; Bakr, Osman M; Kamat, Prashant V

    2016-02-16

    A new front-runner has emerged in the field of next-generation photovoltaics. A unique class of materials, known as organic metal halide perovskites, bridges the gap between low-cost fabrication and exceptional device performance. These compounds can be processed at low temperature (typically in the range 80-150 °C) and readily self-assemble from the solution phase into high-quality semiconductor thin films. The low energetic barrier for crystal formation has mixed consequences. On one hand, it enables inexpensive processing and both optical and electronic tunability. The caveat, however, is that many as-formed lead halide perovskite thin films lack chemical and structural stability, undergoing rapid degradation in the presence of moisture or heat. To date, improvements in perovskite solar cell efficiency have resulted primarily from better control over thin film morphology, manipulation of the stoichiometry and chemistry of lead halide and alkylammonium halide precursors, and the choice of solvent treatment. Proper characterization and tuning of processing parameters can aid in rational optimization of perovskite devices. Likewise, gaining a comprehensive understanding of the degradation mechanism and identifying components of the perovskite structure that may be particularly susceptible to attack by moisture are vital to mitigate device degradation under operating conditions. This Account provides insight into the lifecycle of organic-inorganic lead halide perovskites, including (i) the nature of the precursor solution, (ii) formation of solid-state perovskite thin films and single crystals, and (iii) transformation of perovskites into hydrated phases upon exposure to moisture. In particular, spectroscopic and structural characterization techniques shed light on the thermally driven evolution of the perovskite structure. By tuning precursor stoichiometry and chemistry, and thus the lead halide charge-transfer complexes present in solution, crystallization

  5. PRECISION COSMOGRAPHY WITH STACKED VOIDS

    SciTech Connect

    Lavaux, Guilhem; Wandelt, Benjamin D.

    2012-08-01

    We present a purely geometrical method for probing the expansion history of the universe from the observation of the shape of stacked voids in spectroscopic redshift surveys. Our method is an Alcock-Paczynski (AP) test based on the average sphericity of voids posited on the local isotropy of the universe. It works by comparing the temporal extent of cosmic voids along the line of sight with their angular, spatial extent. We describe the algorithm that we use to detect and stack voids in redshift shells on the light cone and test it on mock light cones produced from N-body simulations. We establish a robust statistical model for estimating the average stretching of voids in redshift space and quantify the contamination by peculiar velocities. Finally, assuming that the void statistics that we derive from N-body simulations is preserved when considering galaxy surveys, we assess the capability of this approach to constrain dark energy parameters. We report this assessment in terms of the figure of merit (FoM) of the dark energy task force and in particular of the proposed Euclid mission which is particularly suited for this technique since it is a spectroscopic survey. The FoM due to stacked voids from the Euclid wide survey may double that of all other dark energy probes derived from Euclid data alone (combined with Planck priors). In particular, voids seem to outperform baryon acoustic oscillations by an order of magnitude. This result is consistent with simple estimates based on mode counting. The AP test based on stacked voids may be a significant addition to the portfolio of major dark energy probes and its potentialities must be studied in detail.

  6. Stack Monitor Operating Experience Review

    SciTech Connect

    L. C. Cadwallader; S. A. Bruyere

    2009-05-01

    Stack monitors are used to sense radioactive particulates and gases in effluent air being vented from rooms of nuclear facilities. These monitors record the levels and types of effluents to the environment. This paper presents the results of a stack monitor operating experience review of the U.S. Department of Energy (DOE) Occurrence Reporting and Processing System (ORPS) database records from the past 18 years. Regulations regarding these monitors are briefly described. Operating experiences reported by the U.S. DOE and in engineering literature sources were reviewed to determine the strengths and weaknesses of these monitors. Electrical faults, radiation instrumentation faults, and human errors are the three leading causes of failures. A representative “all modes” failure rate is 1E-04/hr. Repair time estimates vary from an average repair time of 17.5 hours (with spare parts on hand) to 160 hours (without spare parts on hand). These data should support the use of stack monitors in any nuclear facility, including the National Ignition Facility and the international ITER project.

  7. Stacks

    ERIC Educational Resources Information Center

    Kimber, Lizzie

    2010-01-01

    Linton Waters and Jayne Kranat ran a session on the Nuffield "Applying Mathematical Processes" (AMP) activities at BCME7 in Manchester in April this year. These 1-2 hour activities are revamps of some of the Graded Assessment in Mathematics (GAIM) resources, developed in the 1980s, and are freely available via the Nuffield website and the original…

  8. Efficient Visible Quasi-2D Perovskite Light-Emitting Diodes.

    PubMed

    Byun, Jinwoo; Cho, Himchan; Wolf, Christoph; Jang, Mi; Sadhanala, Aditya; Friend, Richard H; Yang, Hoichang; Lee, Tae-Woo

    2016-09-01

    Efficient quasi-2D-structure perovskite light-emitting diodes (4.90 cd A(-1) ) are demonstrated by mixing a 3D-structured perovskite material (methyl ammonium lead bromide) and a 2D-structured perovskite material (phenylethyl ammonium lead bromide), which can be ascribed to better film uniformity, enhanced exciton confinement, and reduced trap density. PMID:27334788

  9. X-ray imaging: Perovskites target X-ray detection

    NASA Astrophysics Data System (ADS)

    Heiss, Wolfgang; Brabec, Christoph

    2016-05-01

    Single crystals of perovskites are currently of interest to help fathom fundamental physical parameters limiting the performance of perovskite-based polycrystalline solar cells. Now, such perovskites offer a technology platform for optoelectronic devices, such as cheap and sensitive X-ray detectors.

  10. Enhancing the grain size of organic halide perovskites by sulfonate-carbon nanotube incorporation in high performance perovskite solar cells.

    PubMed

    Zhang, Yong; Tan, Licheng; Fu, Qingxia; Chen, Lie; Ji, Ting; Hu, Xiaotian; Chen, Yiwang

    2016-04-14

    The grain size of perovskites was enhanced and the grain boundary was filled with sulfonate carbon nanotubes (s-CNTs) during the CH3NH3PbI3 perovskite precursor solution spin-coating process with the incorporation of s-CNTs. The performance of s-CNT incorporated perovskite solar cells remarkably increased from 10.3% to 15.1% (best) compared with pristine CNT incorporated perovskite solar cells. PMID:26940646

  11. Rational Strategies for Efficient Perovskite Solar Cells.

    PubMed

    Seo, Jangwon; Noh, Jun Hong; Seok, Sang Il

    2016-03-15

    A long-standing dream in the large scale application of solar energy conversion is the fabrication of solar cells with high-efficiency and long-term stability at low cost. The realization of such practical goals depends on the architecture, process and key materials because solar cells are typically constructed from multilayer heterostructures of light harvesters, with electron and hole transporting layers as a major component. Recently, inorganic-organic hybrid lead halide perovskites have attracted significant attention as light absorbers for the fabrication of low-cost and high-efficiency solar cells via a solution process. This mainly stems from long-range ambipolar charge transport properties, low exciton binding energies, and suitable band gap tuning by managing the chemical composition. In our pioneering work, a new photovoltaic platform for efficient perovskite solar cells (PSCs) was proposed, which yielded a high power conversion efficiency (PCE) of 12%. The platform consisted of a pillared architecture of a three-dimensional nanocomposite of perovskites fully infiltrating mesoporous TiO2, resulting in the formation of continuous phases and perovskite domains overlaid with a polymeric hole conductor. Since then, the PCE of our PSCs has been rapidly increased from 3% to over 20% certified efficiency. The unprecedented increase in the PCE can be attributed to the effective integration of the advantageous attributes of the refined bicontinuous architecture, deposition process, and composition of perovskite materials. Specifically, the bicontinuous architectures used in the high efficiency comprise a layer of perovskite sandwiched between mesoporous metal-oxide layer, which is a very thinner than that of used in conventional dye-sensitized solar cells, and hole-conducting contact materials with a metal back contact. The mesoporous scaffold can affect the hysteresis under different scan direction in measurements of PSCs. The hysteresis also greatly depends on

  12. A novel micro-Raman technique to detect and characterize 4H-SiC stacking faults

    SciTech Connect

    Piluso, N. Camarda, M.; La Via, F.

    2014-10-28

    A novel Micro-Raman technique was designed and used to detect extended defects in 4H-SiC homoepitaxy. The technique uses above band-gap high-power laser densities to induce a local increase of free carriers in undoped epitaxies (n < 10{sup 16} at/cm{sup −3}), creating an electronic plasma that couples with the longitudinal optical (LO) Raman mode. The Raman shift of the LO phonon-plasmon-coupled mode (LOPC) increases as the free carrier density increases. Crystallographic defects lead to scattering or recombination of the free carriers which results in a loss of coupling with the LOPC, and in a reduction of the Raman shift. Given that the LO phonon-plasmon coupling is obtained thanks to the free carriers generated by the high injection level induced by the laser, we named this technique induced-LOPC (i-LOPC). This technique allows the simultaneous determination of both the carrier lifetime and carrier mobility. Taking advantage of the modifications on the carrier lifetime induced by extended defects, we were able to determine the spatial morphology of stacking faults; the obtained morphologies were found to be in excellent agreement with those provided by standard photoluminescence techniques. The results show that the detection of defects via i-LOPC spectroscopy is totally independent from the stacking fault photoluminescence signals that cover a large energy range up to 0.7 eV, thus allowing for a single-scan simultaneous determination of any kind of stacking fault. Combining the i-LOPC method with the analysis of the transverse optical mode, the micro-Raman characterization can determine the most important properties of unintentionally doped film, including the stress status of the wafer, lattice impurities (point defects, polytype inclusions) and a detailed analysis of crystallographic defects, with a high spectral and spatial resolution.

  13. Lightweight Stacks of Direct Methanol Fuel Cells

    NASA Technical Reports Server (NTRS)

    Narayanan, Sekharipuram; Valdez, Thomas

    2004-01-01

    An improved design concept for direct methanol fuel cells makes it possible to construct fuel-cell stacks that can weigh as little as one-third as much as do conventional bipolar fuel-cell stacks of equal power. The structural-support components of the improved cells and stacks can be made of relatively inexpensive plastics. Moreover, in comparison with conventional bipolar fuel-cell stacks, the improved fuel-cell stacks can be assembled, disassembled, and diagnosed for malfunctions more easily. These improvements are expected to bring portable direct methanol fuel cells and stacks closer to commercialization. In a conventional bipolar fuel-cell stack, the cells are interspersed with bipolar plates (also called biplates), which are structural components that serve to interconnect the cells and distribute the reactants (methanol and air). The cells and biplates are sandwiched between metal end plates. Usually, the stack is held together under pressure by tie rods that clamp the end plates. The bipolar stack configuration offers the advantage of very low internal electrical resistance. However, when the power output of a stack is only a few watts, the very low internal resistance of a bipolar stack is not absolutely necessary for keeping the internal power loss acceptably low.

  14. Quantum-dot-in-perovskite solids.

    PubMed

    Ning, Zhijun; Gong, Xiwen; Comin, Riccardo; Walters, Grant; Fan, Fengjia; Voznyy, Oleksandr; Yassitepe, Emre; Buin, Andrei; Hoogland, Sjoerd; Sargent, Edward H

    2015-07-16

    Heteroepitaxy-atomically aligned growth of a crystalline film atop a different crystalline substrate-is the basis of electrically driven lasers, multijunction solar cells, and blue-light-emitting diodes. Crystalline coherence is preserved even when atomic identity is modulated, a fact that is the critical enabler of quantum wells, wires, and dots. The interfacial quality achieved as a result of heteroepitaxial growth allows new combinations of materials with complementary properties, which enables the design and realization of functionalities that are not available in the single-phase constituents. Here we show that organohalide perovskites and preformed colloidal quantum dots, combined in the solution phase, produce epitaxially aligned 'dots-in-a-matrix' crystals. Using transmission electron microscopy and electron diffraction, we reveal heterocrystals as large as about 60 nanometres and containing at least 20 mutually aligned dots that inherit the crystalline orientation of the perovskite matrix. The heterocrystals exhibit remarkable optoelectronic properties that are traceable to their atom-scale crystalline coherence: photoelectrons and holes generated in the larger-bandgap perovskites are transferred with 80% efficiency to become excitons in the quantum dot nanocrystals, which exploit the excellent photocarrier diffusion of perovskites to produce bright-light emission from infrared-bandgap quantum-tuned materials. By combining the electrical transport properties of the perovskite matrix with the high radiative efficiency of the quantum dots, we engineer a new platform to advance solution-processed infrared optoelectronics. PMID:26178963

  15. Quantum-dot-in-perovskite solids

    NASA Astrophysics Data System (ADS)

    Ning, Zhijun; Gong, Xiwen; Comin, Riccardo; Walters, Grant; Fan, Fengjia; Voznyy, Oleksandr; Yassitepe, Emre; Buin, Andrei; Hoogland, Sjoerd; Sargent, Edward H.

    2015-07-01

    Heteroepitaxy--atomically aligned growth of a crystalline film atop a different crystalline substrate--is the basis of electrically driven lasers, multijunction solar cells, and blue-light-emitting diodes. Crystalline coherence is preserved even when atomic identity is modulated, a fact that is the critical enabler of quantum wells, wires, and dots. The interfacial quality achieved as a result of heteroepitaxial growth allows new combinations of materials with complementary properties, which enables the design and realization of functionalities that are not available in the single-phase constituents. Here we show that organohalide perovskites and preformed colloidal quantum dots, combined in the solution phase, produce epitaxially aligned `dots-in-a-matrix' crystals. Using transmission electron microscopy and electron diffraction, we reveal heterocrystals as large as about 60 nanometres and containing at least 20 mutually aligned dots that inherit the crystalline orientation of the perovskite matrix. The heterocrystals exhibit remarkable optoelectronic properties that are traceable to their atom-scale crystalline coherence: photoelectrons and holes generated in the larger-bandgap perovskites are transferred with 80% efficiency to become excitons in the quantum dot nanocrystals, which exploit the excellent photocarrier diffusion of perovskites to produce bright-light emission from infrared-bandgap quantum-tuned materials. By combining the electrical transport properties of the perovskite matrix with the high radiative efficiency of the quantum dots, we engineer a new platform to advance solution-processed infrared optoelectronics.

  16. Nonlinear acoustic impedance of thermoacoustic stack

    NASA Astrophysics Data System (ADS)

    Ge, Huan; Fan, Li; Xiao, Shu-yu; Tao, Sha; Qiu, Mei-chen; Zhang, Shu-yi; Zhang, Hui

    2012-09-01

    In order to optimize the performances of the thermoacoustic refrigerator working with the high sound pressure level, the nonlinear acoustic characteristics of the thermoacoustic stack in the resonant pipe are studied. The acoustic fluid impedance of the stack made of copper mesh and set up in a resonant pipe is measured in the acoustic fields with different intensities. It is found that when the sound pressure level in the pipe increases to a critical value, the resistance of the stack increases nonlinearly with the sound pressure, while the reactance of the stack keeps constant. Based on the experimental results, a theory model is set up to describe the acoustic characteristics of the stack, according to the rigid frame theory and Forchheimmer equation. Furthermore, the influences of the sound pressure level, operating frequency, volume porosity, and length of the stack on the nonlinear impedance of the stack are evaluated.

  17. Modeling functional piezoelectricity in perovskite superlattices with competing instabilities

    NASA Astrophysics Data System (ADS)

    Swartz, Charles; Wu, Xifan

    2012-02-01

    Multi-component Perovskite Superlattices (SLs) of the form ABO3, provide a very promising avenue for the design of materials with multifunctional properties. Furthermore the interfaces of such multi-component SLs are home to competing anti-ferrodistortive and ferroelectric instabilities which can produce unexpected functionalities. However, at present first principles calculations exceeding more than 10 units cells, are particularly costly as they scale with the valence electrons as N^3. We present a first-principles modeling technique that allows us to accurately model the piezoelectric strains of paraelectric/ferroelectric SLs, BaTiO3/CaTiO3 and PbTiO3/SrTiO3, under a fixed displacement field. The model is based on a maximally localized wannier center layer polarization technique, as well as a truncated cluster expansion, that makes use of the fact that such PE/FE SLs have been shown to have highly localized ionic and electronic interface effects. The prediction of the piezoelectricity for a SL of an arbitrary stacking sequence will be demonstrated. We also use our model to conduct a systemic study of the interface effects on piezoelectric response in the above SLs paying special attention to a strong non-linear effect observed in Bulk SrTiO3.

  18. Autothermal reforming catalyst having perovskite structure

    DOEpatents

    Krumpel, Michael; Liu, Di-Jia

    2009-03-24

    The invention addressed two critical issues in fuel processing for fuel cell application, i.e. catalyst cost and operating stability. The existing state-of-the-art fuel reforming catalyst uses Rh and platinum supported over refractory oxide which add significant cost to the fuel cell system. Supported metals agglomerate under elevated temperature during reforming and decrease the catalyst activity. The catalyst is a perovskite oxide or a Ruddlesden-Popper type oxide containing rare-earth elements, catalytically active firs row transition metal elements, and stabilizing elements, such that the catalyst is a single phase in high temperature oxidizing conditions and maintains a primarily perovskite or Ruddlesden-Popper structure under high temperature reducing conditions. The catalyst can also contain alkaline earth dopants, which enhance the catalytic activity of the catalyst, but do not compromise the stability of the perovskite structure.

  19. Metal halide perovskites for energy applications

    NASA Astrophysics Data System (ADS)

    Zhang, Wei; Eperon, Giles E.; Snaith, Henry J.

    2016-06-01

    Exploring prospective materials for energy production and storage is one of the biggest challenges of this century. Solar energy is one of the most important renewable energy resources, due to its wide availability and low environmental impact. Metal halide perovskites have emerged as a class of semiconductor materials with unique properties, including tunable bandgap, high absorption coefficient, broad absorption spectrum, high charge carrier mobility and long charge diffusion lengths, which enable a broad range of photovoltaic and optoelectronic applications. Since the first embodiment of perovskite solar cells showing a power conversion efficiency of 3.8%, the device performance has been boosted up to a certified 22.1% within a few years. In this Perspective, we discuss differing forms of perovskite materials produced via various deposition procedures. We focus on their energy-related applications and discuss current challenges and possible solutions, with the aim of stimulating potential new applications.

  20. Machine learning bandgaps of double perovskites

    NASA Astrophysics Data System (ADS)

    Pilania, Ghanshyam; Mannodi-Kanakkithodi, Arun; Uberuaga, Blas; Ramprasad, Rampi; Gubernatis, James; Lookman, Turab

    The ability to make rapid and accurate predictions of bandgaps for double perovskites is of much practical interest for a range of applications. While quantum mechanical computations for high-fidelity bandgaps are enormously computation-time intensive and thus impractical in high throughput studies, informatics-based statistical learning approaches can be a promising alternative. Here we demonstrate a systematic feature-engineering approach and a robust learning framework for efficient and accurate predictions of electronic bandgaps for double perovskites. After evaluating a set of nearly 1.2 million features, we identify several elemental features of the constituent atomic species as the most crucial and relevant predictors. The developed models are validated and tested using the best practices of data science (on a dataset of more than 1300 double perovskite bandgaps) and further analyzed to rationalize their prediction performance. Los Alamos National Laboratory LDRD program and the U.S. Department of Energy, Office of Science, Basic Energy Sciences.

  1. Nanophotonic front electrodes for perovskite solar cells

    NASA Astrophysics Data System (ADS)

    Paetzold, Ulrich Wilhelm; Qiu, Weiming; Finger, Friedhelm; Poortmans, Jef; Cheyns, David

    2015-04-01

    In less than 3 years' time, a vast progress in power conversion efficiencies of organometal halide perovskite solar cells has been achieved by optimization of the device architecture, charge transport layers, and interfaces. A further increase in these efficiencies is expected from an improvement in the optical properties via anti-reflection coatings and nanophotonic light management concepts. In this contribution, we report on the development and implementation of a nanophotonic front electrode for perovskite solar cells. The nanostructures were replicated via the versatile and large-area compatible UV-nanoimprint lithography. The shallow design of the used transparent and conductive nanostructures enabled easy integration into our solution-based baseline process. Prototype methylammonium lead iodide perovskite solar cells show an improvement of 5% in short-circuit current density and an improvement from 9.6% to 9.9% in power conversion efficiency compared to the flat reference device.

  2. A Heteroepitaxial Perovskite Metal-Base Transistor

    SciTech Connect

    Yajima, T.; Hikita, Y.; Hwang, H.Y.; /Tokyo U. /JST, PRESTO /SLAC

    2011-08-11

    'More than Moore' captures a concept for overcoming limitations in silicon electronics by incorporating new functionalities in the constituent materials. Perovskite oxides are candidates because of their vast array of physical properties in a common structure. They also enable new electronic devices based on strongly-correlated electrons. The field effect transistor and its derivatives have been the principal oxide devices investigated thus far, but another option is available in a different geometry: if the current is perpendicular to the interface, the strong internal electric fields generated at back-to-back heterojunctions can be used for oxide electronics, analogous to bipolar transistors. Here we demonstrate a perovskite heteroepitaxial metal-base transistor operating at room temperature, enabled by interface dipole engineering. Analysis of many devices quantifies the evolution from hot-electron to permeable-base behaviour. This device provides a platform for incorporating the exotic ground states of perovskite oxides, as well as novel electronic phases at their interfaces.

  3. Nanoimprinted Perovskite Solar Cells With Enhanced Photocurrent

    NASA Astrophysics Data System (ADS)

    Haroldson, Ross; Balachandran, Balasubramaniam?; Ren, Yixin; Zakhidov, Anvar; Hu, Wenchuang; UTD Nanoimprint Team

    We have developed a new method of Nanoimprint Lithography (NIL) to shape the morphology of organolead trihalide perovskite. With this hot stamping process we created ordered gratings or other micro or nanostructures of perovskite resembling 2D photonic crytals on the scale of 200 to 600 nm from a starting small grain spin-coated film of the same scale. With this new method of nanoimprinting, we demonstrate that perovskite PV device performance can be improved and controlled. Initial results comparing flat vs. NIL-PV structure devices show dramatic increase in photocurrent as well as better crystallinity. The origin of Isc enhancement is explained in terms of better morphology and larger grains, resulting in longer diffusion length of carriers, while better light absorption by photonic crystal nanopatterns cannot be excluded.

  4. A High Volume Stack Sampler

    NASA Technical Reports Server (NTRS)

    Boubel, Richard W.

    1971-01-01

    The stack sampler described in this paper has been developed to overcome the difficulties of particulate sampling with presently available equipment. Its use on emissions from hog fuel fired boilers, back-fired incinerators, wigwam burners, asphalt plants, and seed cleaning cyclones is reported. The results indicate that the sampler is rapid and reliable in its use. It is relatively simple and inexpensive to operate. For most sources it should be considered over the more complicated and expensive sampling trains being used and specified.

  5. Status of MCFC stack development at Hitachi

    SciTech Connect

    Takashima, S.; Kahara, T.; Takeuchi, M.

    1996-12-31

    Hitachi, Ltd. has been developing Molten Carbonate Fuel Cells in the New Sunshine project in Japan, and Hitachi is taking part in the development of 1,000kW MCFC pilot plant at Kawagoe. Hitachi is engaged in system planning of the 1,000kW pilot plant, design and manufacturing of the reformer subsystem and the fuel cell subsystem, and design and manufacturing of the 250kW stacks for the 1,000kW plant. The 250kW stacks are developed on the basis of the results of the 100kW stack in 1993 and the following 25kW stack in 1994. In parallel to the stack development, Hitachi is also conducting researches for long endurance cells and stacks. In addition to the researches for anode, cathode, electrolyte, and electrolyte matrix, improvement of temperature distribution in stacks is investigated to extend the stack life. This paper describes the planning status of the 250kW stacks for the 1,000kW MCFC plant and the developing status of stack cooling method for longer life.

  6. Unraveling Base Stacking Driving Forces in DNA.

    PubMed

    Mak, Chi H

    2016-07-01

    Base stacking is a key determinant of nucleic acid structures, but the precise origin of the thermodynamic driving force behind the stacking of nucleobases remains open. The rather mild stacking free energy measured experimentally, roughly a kcal/mol depending on the identity of the bases, is physiologically significant because while base stacking confers stability to the genome in its double helix form, the duplex also has to be unwound in order to be replicated or transcribed. A stacking free energy that is either too high or too low will over- or understabilize the genome, impacting the storage of genetic information and also its retrieval. While the molecular origin of stacking driving force has been attributed to many different sources including dispersion, electrostatics, and solvent hydrogen bonding, here we show via a systematic decomposition of the stacking free energy using large-scale computer simulations that the dominant driving force stabilizing base stacking is nonhydrophobic solvent entropy. Counteracting this is the conformational entropic penalty on the sugar-phosphate backbone against stacking, while solvent hydrogen-bonding, charge-charge interactions, and dispersive forces produce only secondary perturbations. Solvent entropic forces and DNA backbone conformational strains therefore work against each other, leading to a very mild composite stacking free energy in agreement with experiments. PMID:27045853

  7. A review on visible light active perovskite-based photocatalysts.

    PubMed

    Kanhere, Pushkar; Chen, Zhong

    2014-01-01

    Perovskite-based photocatalysts are of significant interest in the field of photocatalysis. To date, several perovskite material systems have been developed and their applications in visible light photocatalysis studied. This article provides a review of the visible light (λ > 400 nm) active perovskite-based photocatalyst systems. The materials systems are classified by the B site cations and their crystal structure, optical properties, electronic structure, and photocatalytic performance are reviewed in detail. Titanates, tantalates, niobates, vanadates, and ferrites form important photocatalysts which show promise in visible light-driven photoreactions. Along with simple perovskite (ABO3) structures, development of double/complex perovskites that are active under visible light is also reviewed. Various strategies employed for enhancing the photocatalytic performance have been discussed, emphasizing the specific advantages and challenges offered by perovskite-based photocatalysts. This review provides a broad overview of the perovskite photocatalysts, summarizing the current state of the work and offering useful insights for their future development. PMID:25532834

  8. Functionalization of perovskite thin films with moisture-tolerant molecules

    NASA Astrophysics Data System (ADS)

    Yang, Shuang; Wang, Yun; Liu, Porun; Cheng, Yi-Bing; Zhao, Hui Jun; Yang, Hua Gui

    2016-02-01

    Organic-inorganic hybrid perovskites are particularly suited as light-harvesting materials in photovoltaic devices. The power conversion efficiency of perovskite solar cells has reached certified values of over 20% in just a few years. However, one of the major hindrances for application of these materials in real-world devices is the performance degradation in humid conditions, leading to a rapid loss of photovoltaic response. Here, we demonstrate that hydrophobic tertiary and quaternary alkyl ammonium cations can be successfully assembled on the perovskite surface as efficient water-resisting layers via a facile surface functionalization technique. Such layers can protect the perovskite film under high relative humidity (90 ± 5%) over 30 days. More importantly, devices based on such films can retain the photovoltaic capacities of bulk perovskites, with power conversion efficiencies over 15%. Improving the humidity tolerance of perovskite materials is a necessary step towards large-scale production of high-performance perovskite-based devices under ambient humidity.

  9. Electronic and Ionic Transport Dynamics in Organolead Halide Perovskites.

    PubMed

    Li, Dehui; Wu, Hao; Cheng, Hung-Chieh; Wang, Gongming; Huang, Yu; Duan, Xiangfeng

    2016-07-26

    Ion migration has been postulated as the underlying mechanism responsible for the hysteresis in organolead halide perovskite devices. However, the electronic and ionic transport dynamics and how they impact each other in organolead halide perovskites remain elusive to date. Here we report a systematic investigation of the electronic and ionic transport dynamics in organolead halide perovskite microplate crystals and thin films using temperature-dependent transient response measurements. Our study reveals that thermally activated ionic and electronic conduction coexist in perovskite devices. The extracted activation energies suggest that the electronic transport is easier, but ions migrate harder in microplates than in thin films, demonstrating that the crystalline quality and grain boundaries can fundamentally modify electronic and ionic transport in perovskites. These findings offer valuable insight on the electronic and ionic transport dynamics in organolead halide perovskites, which is critical for optimizing perovskite devices with reduced hysteresis and improved stability and efficiency. PMID:27315525

  10. Bismuth-based perovskites as multiferroics

    NASA Astrophysics Data System (ADS)

    Guennou, Mael; Viret, Michel; Kreisel, Jens

    2015-03-01

    This review devoted to multiferroic properties of bismuth-based perovskites is divided into two parts. The first one focuses on BiFeO3 and summarizes the recent progress made in the studies of its pressure-temperature phase diagram and magnetoelectric coupling phenomena. The second part discusses in a more general way the issue of polar-and multiferroic-phases in Bi BO3 perovskites and the competition between ferroelectricity and other structural instabilities, from an inventory of recently synthesized compounds.

  11. Stability of tetravalent actinides in perovskites

    SciTech Connect

    Williams, C.W.; Morss, L.R.; Choi, I.K.

    1983-01-01

    This paper reports the first determination of the enthalpy of formation of a complex actinide(IV) oxide: ..delta..H/sup 0//sub f/ (BaUO/sub 3/, s, 298 K) = -1690 +- 10 kJ mol/sup -1/. The preparation and properties of this and other actinide(IV) complex oxides are described and are compared with other perovskites BaMO/sub 3/. The relative stabilities of tetravalent and hexavalent uranium in various environments are compared in terms of the oxidation-reduction behavior of uranium in geological nuclear waste storage media; in perovskite, uranium(IV) is very unstable in comparison with uranium(VI).

  12. In situ doping of catalyst-free InAs nanowires with Si: Growth, polytypism, and local vibrational modes of Si

    SciTech Connect

    Dimakis, Emmanouil; Ramsteiner, Manfred; Huang, Chang-Ning; Trampert, Achim; Riechert, Henning; Geelhaar, Lutz; Davydok, Anton; Biermanns, Andreas; Pietsch, Ullrich

    2013-09-30

    Growth and structural aspects of the in situ doping of InAs nanowires with Si have been investigated. The nanowires were grown catalyst-free on Si(111) substrates by molecular beam epitaxy. The supply of Si influenced the growth kinetics, affecting the nanowire dimensions, but not the degree of structural polytypism, which was always pronounced. As determined by Raman spectroscopy, Si was incorporated as substitutional impurity exclusively on In sites, which makes it a donor. Previously unknown Si-related Raman peaks at 355 and 360 cm{sup −1} were identified, based on their symmetry properties in polarization-dependent measurements, as the two local vibrational modes of an isolated Si impurity on In site along and perpendicular, respectively, to the c-axis of the wurtzite InAs crystal.

  13. Size- and structure-dependence of thermal and mechanical behaviors of single-crystalline and polytypic superlattice ZnS nanowires

    NASA Astrophysics Data System (ADS)

    Moon, Junghwan; Cho, Maenghyo; Zhou, Min

    2015-06-01

    Molecular dynamics (MD) simulations are carried out to study the thermal and mechanical behaviors of single-crystalline wurtzite (WZ), zinc-blende (ZB), and polytypic superlattice ZnS nanowires containing alternating WZ and ZB regions with thicknesses between 1.85 nm and 29.62 nm under tensile loading. The wires analyzed have diameters between 1.77 nm and 5.05 nm. The Green-Kubo method is used to calculate the thermal conductivity of the wires at different deformed states. A non-equilibrium MD approach is used to analyze the thermal transport behavior at the interfaces between different structural regions in the superlattice nanowires (SLNWs). The Young's modulus and thermal conductivity of ZB nanowires are approximately 2%-12% and 23%-35% lower than those of WZ nanowires, respectively. The lower initial residual compressive stress due to higher irregularity of surface atoms causes the Young's modulus of ZB nanowires to be lower. The dependence of the thermal conductivity on structure comes from differences in phonon group velocities associated with the different wires. The thermal conductivity of polytypic superlattice nanowires is up to 55% lower than that of single-crystalline nanowires, primarily because of phonon scattering at the interfaces and the resulting lower effective phonon mean free paths for each structural region. As the periodic lengths (1.85-29.62 nm) and specimen lengths (14.81-59.24 nm) of SLNWs decrease, these effects become more pronounced, causing the thermal conductivity to further decrease by up to 30%.

  14. Size- and structure-dependence of thermal and mechanical behaviors of single-crystalline and polytypic superlattice ZnS nanowires

    SciTech Connect

    Moon, Junghwan; Cho, Maenghyo; Zhou, Min

    2015-06-07

    Molecular dynamics (MD) simulations are carried out to study the thermal and mechanical behaviors of single-crystalline wurtzite (WZ), zinc-blende (ZB), and polytypic superlattice ZnS nanowires containing alternating WZ and ZB regions with thicknesses between 1.85 nm and 29.62 nm under tensile loading. The wires analyzed have diameters between 1.77 nm and 5.05 nm. The Green-Kubo method is used to calculate the thermal conductivity of the wires at different deformed states. A non-equilibrium MD approach is used to analyze the thermal transport behavior at the interfaces between different structural regions in the superlattice nanowires (SLNWs). The Young's modulus and thermal conductivity of ZB nanowires are approximately 2%–12% and 23%–35% lower than those of WZ nanowires, respectively. The lower initial residual compressive stress due to higher irregularity of surface atoms causes the Young's modulus of ZB nanowires to be lower. The dependence of the thermal conductivity on structure comes from differences in phonon group velocities associated with the different wires. The thermal conductivity of polytypic superlattice nanowires is up to 55% lower than that of single-crystalline nanowires, primarily because of phonon scattering at the interfaces and the resulting lower effective phonon mean free paths for each structural region. As the periodic lengths (1.85–29.62 nm) and specimen lengths (14.81–59.24 nm) of SLNWs decrease, these effects become more pronounced, causing the thermal conductivity to further decrease by up to 30%.

  15. Ultra-dark graphene stack metamaterials

    NASA Astrophysics Data System (ADS)

    Chugh, Sunny; Man, Mengren; Chen, Zhihong; Webb, Kevin J.

    2015-02-01

    We present a fabrication method to achieve a graphene stack metamaterial, a periodic array of unit cells composed of graphene and a thin insulating spacer, that allows accumulation of the strong absorption from individual graphene sheets and low reflectivity from the stack. The complex sheet conductivity of graphene from experimental data models the measured power transmitted as a function of wavelength and number of periods in the stack. Simulated results based on the extracted graphene complex sheet conductivity for thicker stacks suggest that the graphene stack reflectivity and the per-unit-length absorption can be controlled to exceed the performance of competing light absorbers. Furthermore, the electrical properties of graphene coupled with the stack absorption characteristics provide for applications in optoelectronic devices.

  16. Photogrammetric Technique for Timber Stack Volume Contol

    NASA Astrophysics Data System (ADS)

    Knyaz, V. A.; Maksimov, A. A.

    2014-08-01

    The problem of accurate log volume measurement is a very important, especially in case of seaport volume control where logs are put in a huge stack of hundred meters length and a time for volume control is strongly restricted. Current technology of volume control use manual means such as measuring tape, so the process of measurement is rather inaccurate and time consuming. To estimate the volume of timber stack its frontal area is measured and some control parts of a stack are used for stacking coefficient (wood density in a stack) determination. Non-contact vision based technique is proposed for manual measurements substituting. The developed methods are implemented in portable photogrammetric system for stack parameters measuring and documenting.

  17. Prediction of temperature profile in MCFC stack

    SciTech Connect

    Lee, Kab Soo; Kim, Hwayong; Hong, Seong-An; Lim, Hee Chun

    1996-12-31

    A simple three dimensional model was developed to simulate the temperature distribution and the performance of various flow types of the MCFC stack. The objective of this study was to understand the complicated phenomena occurring in the MCFC stack and to supply the basic data for optimizing the operating condition of the MCFC stack. Assuming that the stack consists of a number of differential elements which have uniform temperature and gas composition, the model was solved by finite difference method. The performance of this model was demonstrated by comparing the calculated value with experimental data of the 1.5kW class co-flow type MCFC stack operated in KIST. This model can be utilized as a simple diagnostic tool in case of the operational abnormality such as the hot spot which often occurs inside the stack.

  18. Hydrogen Embrittlement And Stacking-Fault Energies

    NASA Technical Reports Server (NTRS)

    Parr, R. A.; Johnson, M. H.; Davis, J. H.; Oh, T. K.

    1988-01-01

    Embrittlement in Ni/Cu alloys appears related to stacking-fault porbabilities. Report describes attempt to show a correlation between stacking-fault energy of different Ni/Cu alloys and susceptibility to hydrogen embrittlement. Correlation could lead to more fundamental understanding and method of predicting susceptibility of given Ni/Cu alloy form stacking-fault energies calculated from X-ray diffraction measurements.

  19. Flexible interconnects for fuel cell stacks

    DOEpatents

    Lenz, David J.; Chung, Brandon W.; Pham, Ai Quoc

    2004-11-09

    An interconnect that facilitates electrical connection and mechanical support with minimal mechanical stress for fuel cell stacks. The interconnects are flexible and provide mechanically robust fuel cell stacks with higher stack performance at lower cost. The flexible interconnects replace the prior rigid rib interconnects with flexible "fingers" or contact pads which will accommodate the imperfect flatness of the ceramic fuel cells. Also, the mechanical stress of stacked fuel cells will be smaller due to the flexibility of the fingers. The interconnects can be one-sided or double-sided.

  20. Film stacking architecture for immersion lithography process

    NASA Astrophysics Data System (ADS)

    Goto, Tomohiro; Sanada, Masakazu; Miyagi, Tadashi; Shigemori, Kazuhito; Kanaoka, Masashi; Yasuda, Shuichi; Tamada, Osamu; Asai, Masaya

    2008-03-01

    In immersion lithography process, film stacking architecture will be necessary due to film peeling. However, the architecture will restrict lithographic area within a wafer due to top side EBR accuracy In this paper, we report an effective film stacking architecture that also allows maximum lithographic area. This study used a new bevel rinse system on RF3 for all materials to make suitable film stacking on the top side bevel. This evaluation showed that the new bevel rinse system allows the maximum lithographic area and a clean wafer edge. Patterning defects were improved with suitable film stacking.

  1. - and Perovskite-Sensitised Mesoscopic Solar Cells

    NASA Astrophysics Data System (ADS)

    Grätzel, Michael; Durrant, James R.

    2015-10-01

    The following sections are included: * Introduction * Historical background * Mode of function of dye-sensitised solar cells * DSSC research and development * Solid-state mesoscopic cells based on molecular dyes or perovskite pigments as sensitisers * Pilot production of modules, field tests and commercial DSSC development * Outlook * Acknowledgements * References

  2. Perovskite solar cells: Different facets of performance

    NASA Astrophysics Data System (ADS)

    Eperon, Giles E.; Ginger, David S.

    2016-08-01

    The electronic properties of halide perovskites vary significantly between crystalline grains, but the impact of this heterogeneity on solar cell performance is unclear. Now, this variability is shown to limit the photovoltaic properties of solar cells, and its origins are linked to differing properties between crystal facets.

  3. Crystalline-amorphous transition in silicate perovskites

    SciTech Connect

    Hemmati, M.; Chizmeshya, A.; Wolf, G.H.; Poole, P.H.; Shao, J.; Angell, C.A.

    1995-06-01

    CaSiO{sub 3} and MgSiO{sub 3} perovskites are known to undergo solid-state crystal to amorphous transitions near ambient pressure when decompressed from their high-pressure stability fields. In order to elucidate the mechanistic aspects of this transition we have performed detailed molecular-dynamics simulations and lattice-dynamical calculations on model silicate perovskite systems using empirical rigid-ion pair potentials. In the simulations at low temperatures, the model perovskite systems transform under tension to a low-density glass composed of corner shared chains of tetrahedral silicon. The amorphization is initiated by a thermally activated step involving a soft polar optic mode in the perovskite phase at the Brillouin zone center. Progression of the system along this reaction coordinate triggers, in succession, multiple barrierless modes of instability ultimately producing a catastrophic decohesion of the lattice. An important intermediary along the reaction path is a crystalline phase where silicon is in a five-coordinate site and the alkaline-earth metal atom is in eightfold coordination. At the onset pressure, this transitory phase is itself dynamically unstable to a number of additional vibrational modes, the most relevant being those which result in transformation to a variety of tetrahedral chain silicate motifs. These results support the conjecture that stress-induced amorphization arises from the near simultaneous accessibility of multiple modes of instability in the highly metastable parent crystalline phase.

  4. Debuncher Cooling Limitations to Stacking

    SciTech Connect

    Halling, Mike

    1991-08-13

    During the January studies period we performed studies to determine the effect that debuncher cooling has on the stacking rate. Two different sets of measurements were made separated by about a week. Most measurements reported here are in PBAR log 16, page 243-247. These measurements were made by changing the accelerator timeline to give about 6 seconds between 29's, and then gating the cooling systems to simulate reduced cycle times. For the measurement of the momentum cooling effectiveness the gating switches could not be made to work, so the timeline was changed for each measurement. The cooling power of all three systems was about 800 watts for the tests reported here. We now regularly run at 1200 watts per system.

  5. Stacked graphs--geometry & aesthetics.

    PubMed

    Byron, Lee; Wattenberg, Martin

    2008-01-01

    In February 2008, the New York Times published an unusual chart of box office revenues for 7500 movies over 21 years. The chart was based on a similar visualization, developed by the first author, that displayed trends in music listening. This paper describes the design decisions and algorithms behind these graphics, and discusses the reaction on the Web. We suggest that this type of complex layered graph is effective for displaying large data sets to a mass audience. We provide a mathematical analysis of how this layered graph relates to traditional stacked graphs and to techniques such as ThemeRiver, showing how each method is optimizing a different "energy function". Finally, we discuss techniques for coloring and ordering the layers of such graphs. Throughout the paper, we emphasize the interplay between considerations of aesthetics and legibility. PMID:18988970

  6. Performance evaluation of PEFC stack

    SciTech Connect

    Fujita, Jun-ichi; Ohtsuki, Jitsuji; Shindo, Yoshihiko

    1996-12-31

    Polymer electrolyte fuel cells (PEFCs) have many advantages such as high current density, short start-up time and endurance for start-stop cycles. Making use of these advantages, Fuji Electric has been working with the Kansai Electric Power Co., Inc. to explore practical applications of PEFCs for an electric utility use. Since large-sized electrodes are required in the electric utility applications, we have fabricated 600cm{sup 2} membrane-electrode assemblies by using hot-press method. We have also designed a cell structure to realize a uniform reaction over the electrodes. The structure includes a properly-shaped gas flow channel, a temperature-gradient cooling system. Using the 600cm{sup 2} (25x24cm) electrodes, a 30-cell stack (5kW) were constructed and tested.

  7. A bundled-stack discotic columnar liquid crystalline phase with inter-stack electronic coupling

    DOE PAGESBeta

    Wang, Bin; Sun, Runkun; Günbaş, Duygu D.; Zhang, Hao; Grozema, Ferdinand C.; Xiao, Kai; Jin, Shi

    2015-06-15

    The first compound proving to be capable of forming a bundled-stack discotic columnar liquid crystalline (BSDCLC) phase was designed and synthesized. Finally, the unique perylene anhydride inter-stack interaction was found to be the key to the formation of the BSDCLC structure and inter-stack electronic coupling (ISEC).

  8. Bundled Stack Discotic Columnar Liquid Crystalline Phase with Inter Stack Electronic Coupling

    SciTech Connect

    Wang, Bin; Sun, Runkun; Gunbas, Duygu; Zhang, Hao; Grozema, Ferdinand; Xiao, Kai; Jin, Shi

    2015-01-01

    The first compound capable of forming a bundled stack discotic columnar liquid crystalline (BSDCLC) phase was designed and synthesized. The unique perylene anhydride inter stack interaction was found to be the key to the formation of the BSDCLC structure and inter stack electronic coupling (ISEC).

  9. High-pressure stability relations, crystal structures, and physical properties of perovskite and post-perovskite of NaNiF{sub 3}

    SciTech Connect

    Shirako, Y.; Shi, Y.G.; Aimi, A.; Mori, D.; Kojitani, H.; Yamaura, K.; Inaguma, Y.; Akaogi, M.

    2012-07-15

    NaNiF{sub 3} perovskite was found to transform to post-perovskite at 16-18 GPa and 1273-1473 K. The equilibrium transition boundary is expressed as P (GPa)=-2.0+0.014 Multiplication-Sign T (K). Structure refinements indicated that NaNiF{sub 3} perovskite and post-perovskite have almost regular NiF{sub 6} octahedra consistent with absence of the first-order Jahn-Teller active ions. Both NaNiF{sub 3} perovskite and post-perovskite are insulators. The perovskite underwent a canted antiferromagnetic transition at 156 K, and the post-perovskite antiferromagnetic transition at 22 K. Magnetic exchange interaction of NaNiF{sub 3} post-perovskite is smaller than that of perovskite, reflecting larger distortion of Ni-F-Ni network and lower dimension of octahedral arrangement in post-perovskite than those in perovskite. - Graphical abstract: Perovskite-post-perovskite transition in NaNiF{sub 3} at high pressure Highlights: Black-Right-Pointing-Pointer NaNiF{sub 3} perovskite (Pv) transforms to post-perovskite (pPv) at 16 GPa and 1300 K. Black-Right-Pointing-Pointer The equilibrium transition boundary is expressed as P (GPa)=-2.0+0.014 T (K). Black-Right-Pointing-Pointer Antiferromagnetic transition occurs at 156 K in Pv and 22 K in pPv.

  10. Project W-420 stack monitoring system upgrades

    SciTech Connect

    CARPENTER, K.E.

    1999-02-25

    This project will execute the design, procurement, construction, startup, and turnover activities for upgrades to the stack monitoring system on selected Tank Waste Remediation System (TWRS) ventilation systems. In this plan, the technical, schedule, and cost baselines are identified, and the roles and responsibilities of project participants are defined for managing the Stack Monitoring System Upgrades, Project W-420.

  11. Excitation transfer in stacked quantum dot chains

    NASA Astrophysics Data System (ADS)

    Kanjanachuchai, Songphol; Xu, Ming; Jaffré, Alexandre; Jittrong, Apichart; Chokamnuai, Thitipong; Panyakeow, Somsak; Boutchich, Mohamed

    2015-05-01

    Stacked InAs quantum dot chains (QDCs) on InGaAs/GaAs cross-hatch pattern (CHP) templates yield a rich emission spectrum with an unusual carrier transfer characteristic compared to conventional quantum dot (QD) stacks. The photoluminescent spectra of the controlled, single QDC layer comprise multiple peaks from the orthogonal QDCs, the free-standing QDs, the CHP, the wetting layers and the GaAs substrate. When the QDC layers are stacked, employing a 10 nm GaAs spacer between adjacent QDC layers, the PL spectra are dominated by the top-most stack, indicating that the QDC layers are nominally uncoupled. Under high excitation power densities when the high-energy peaks of the top stack are saturated, however, low-energy PL peaks from the bottom stacks emerge as a result of carrier transfers across the GaAs spacers. These unique PL signatures contrast with the state-filling effects in conventional, coupled QD stacks and serve as a means to quickly assess the presence of electronic coupling in stacks of dissimilar-sized nanostructures.

  12. Effective Stack Design in Air Pollution Control.

    ERIC Educational Resources Information Center

    Clarke, John H.

    1968-01-01

    Stack design problems fall into two general caterories--(1) those of building re-entry, and (2) those of general area pollution. Extensive research has developed adequate information, available in the literature, to permit effective stack design. A major roadblock to effective design has been the strong belief by architects and engineers that high…

  13. Perovskite/c-Si tandem solar cell with inverted nanopyramids: realizing high efficiency by controllable light trapping

    PubMed Central

    Shi, Dai; Zeng, Yang; Shen, Wenzhong

    2015-01-01

    Perovskite/c-Si tandem solar cells (TSCs) have become a promising candidate in recent years for achieving efficiency over 30%. Although general analysis has shown very high upper limits for such TSCs, it remains largely unclear what specific optical structures could best approach these limits. Here we propose the combination of perovskite/c-Si tandem structure with inverted nanopyramid morphology as a practical way of achieving efficiency above 31% based on realistic solar cell parameters. By full-field simulation, we have shown that an ultra-low surface reflectance can be achieved by tuning the pyramid geometry within the range of experimental feasibility. More importantly, we have demonstrated that the index-guided modes can be excited within the top cell layer by introducing a TCO interlayer that prevents coupling of guided light energy into the bottom cell. This light trapping scheme has shown superior performance over the Bragg stack intermediate reflector utilized in previous micropyramid-based TSCs. Finally, by controlling the coupling between the top and bottom cell through the thickness of the interlayer, current generation within the tandem can be optimized for both two- and four-terminal configurations, yielding efficiencies of 31.9% and 32.0%, respectively. These results have provided useful guidelines for the fabrication of perovskite/c-Si TSCs. PMID:26566176

  14. Perovskite/c-Si tandem solar cell with inverted nanopyramids: realizing high efficiency by controllable light trapping.

    PubMed

    Shi, Dai; Zeng, Yang; Shen, Wenzhong

    2015-01-01

    Perovskite/c-Si tandem solar cells (TSCs) have become a promising candidate in recent years for achieving efficiency over 30%. Although general analysis has shown very high upper limits for such TSCs, it remains largely unclear what specific optical structures could best approach these limits. Here we propose the combination of perovskite/c-Si tandem structure with inverted nanopyramid morphology as a practical way of achieving efficiency above 31% based on realistic solar cell parameters. By full-field simulation, we have shown that an ultra-low surface reflectance can be achieved by tuning the pyramid geometry within the range of experimental feasibility. More importantly, we have demonstrated that the index-guided modes can be excited within the top cell layer by introducing a TCO interlayer that prevents coupling of guided light energy into the bottom cell. This light trapping scheme has shown superior performance over the Bragg stack intermediate reflector utilized in previous micropyramid-based TSCs. Finally, by controlling the coupling between the top and bottom cell through the thickness of the interlayer, current generation within the tandem can be optimized for both two- and four-terminal configurations, yielding efficiencies of 31.9% and 32.0%, respectively. These results have provided useful guidelines for the fabrication of perovskite/c-Si TSCs. PMID:26566176

  15. Perovskite/c-Si tandem solar cell with inverted nanopyramids: realizing high efficiency by controllable light trapping

    NASA Astrophysics Data System (ADS)

    Shi, Dai; Zeng, Yang; Shen, Wenzhong

    2015-11-01

    Perovskite/c-Si tandem solar cells (TSCs) have become a promising candidate in recent years for achieving efficiency over 30%. Although general analysis has shown very high upper limits for such TSCs, it remains largely unclear what specific optical structures could best approach these limits. Here we propose the combination of perovskite/c-Si tandem structure with inverted nanopyramid morphology as a practical way of achieving efficiency above 31% based on realistic solar cell parameters. By full-field simulation, we have shown that an ultra-low surface reflectance can be achieved by tuning the pyramid geometry within the range of experimental feasibility. More importantly, we have demonstrated that the index-guided modes can be excited within the top cell layer by introducing a TCO interlayer that prevents coupling of guided light energy into the bottom cell. This light trapping scheme has shown superior performance over the Bragg stack intermediate reflector utilized in previous micropyramid-based TSCs. Finally, by controlling the coupling between the top and bottom cell through the thickness of the interlayer, current generation within the tandem can be optimized for both two- and four-terminal configurations, yielding efficiencies of 31.9% and 32.0%, respectively. These results have provided useful guidelines for the fabrication of perovskite/c-Si TSCs.

  16. Status of MCFC stack technology at IHI

    SciTech Connect

    Hosaka, M.; Morita, T.; Matsuyama, T.; Otsubo, M.

    1996-12-31

    The molten carbonate fuel cell (MCFC) is a promising option for highly efficient power generation possible to enlarge. IHI has been studying parallel flow MCFC stacks with internal manifolds that have a large electrode area of 1m{sup 2}. IHI will make two 250 kW stacks for MW plant, and has begun to make cell components for the plant. To improve the stability of stack, soft corrugated plate used in the separator has been developed, and a way of gathering current from stacks has been studied. The DC output potential of the plant being very high, the design of electric insulation will be very important. A 20 kW short stack test was conducted in 1995 FY to certificate some of the improvements and components of the MW plant. These activities are presented below.

  17. Modular fuel-cell stack assembly

    DOEpatents

    Patel, Pinakin

    2010-07-13

    A fuel cell assembly having a plurality of fuel cells arranged in a stack. An end plate assembly abuts the fuel cell at an end of said stack. The end plate assembly has an inlet area adapted to receive an exhaust gas from the stack, an outlet area and a passage connecting the inlet area and outlet area and adapted to carry the exhaust gas received at the inlet area from the inlet area to the outlet area. A further end plate assembly abuts the fuel cell at a further opposing end of the stack. The further end plate assembly has a further inlet area adapted to receive a further exhaust gas from the stack, a further outlet area and a further passage connecting the further inlet area and further outlet area and adapted to carry the further exhaust gas received at the further inlet area from the further inlet area to the further outlet area.

  18. Wind induced vibration of a stack

    SciTech Connect

    Chen, S.S.; Cai, Y.

    1992-12-01

    A stack supported by guy wires at four levels is subjected to large-amplitude oscillations when the wind speed is over 15 m/s. The excitation mechanisms are identified based on scoping calculations, analytical prediction using a finite element code, and observation of the stack/wire response. The stack is determined to be excited by vortex shedding. Once lock-in resonance occurs, the guy wires are excited by the transverse motion of the stack. Large-amplitude oscillations of the guy wires are due to parametric resonance. Several methods are recommended to alleviate vibrational problem for short-term and long-term solutions. A new stack which is modified based on the results of this study is not subjected to any unacceptable oscillations.

  19. Wind induced vibration of a stack

    SciTech Connect

    Chen, S.S.; Cai, Y.

    1992-01-01

    A stack supported by guy wires at four levels is subjected to large-amplitude oscillations when the wind speed is over 15 m/s. The excitation mechanisms are identified based on scoping calculations, analytical prediction using a finite element code, and observation of the stack/wire response. The stack is determined to be excited by vortex shedding. Once lock-in resonance occurs, the guy wires are excited by the transverse motion of the stack. Large-amplitude oscillations of the guy wires are due to parametric resonance. Several methods are recommended to alleviate vibrational problem for short-term and long-term solutions. A new stack which is modified based on the results of this study is not subjected to any unacceptable oscillations.

  20. Morphology-Controlled Synthesis of Organometal Halide Perovskite Inverse Opals.

    PubMed

    Chen, Kun; Tüysüz, Harun

    2015-11-01

    The booming development of organometal halide perovskites in recent years has prompted the exploration of morphology-control strategies to improve their performance in photovoltaic, photonic, and optoelectronic applications. However, the preparation of organometal halide perovskites with high hierarchical architecture is still highly challenging and a general morphology-control method for various organometal halide perovskites has not been achieved. A mild and scalable method to prepare organometal halide perovskites in inverse opal morphology is presented that uses a polystyrene-based artificial opal as hard template. Our method is flexible and compatible with different halides and organic ammonium compositions. Thus, the perovskite inverse opal maintains the advantage of straightforward structure and band gap engineering. Furthermore, optoelectronic investigations reveal that morphology exerted influence on the conducting nature of organometal halide perovskites. PMID:26376773

  1. Neutral- and Multi-Colored Semitransparent Perovskite Solar Cells.

    PubMed

    Lee, Kyu-Tae; Guo, L Jay; Park, Hui Joon

    2016-01-01

    In this review, we summarize recent works on perovskite solar cells with neutral- and multi-colored semitransparency for building-integrated photovoltaics and tandem solar cells. The perovskite solar cells exploiting microstructured arrays of perovskite "islands" and transparent electrodes-the latter of which include thin metallic films, metal nanowires, carbon nanotubes, graphenes, and transparent conductive oxides for achieving optical transparency-are investigated. Moreover, the perovskite solar cells with distinctive color generation, which are enabled by engineering the band gap of the perovskite light-harvesting semiconductors with chemical management and integrating with photonic nanostructures, including microcavity, are discussed. We conclude by providing future research directions toward further performance improvements of the semitransparent perovskite solar cells. PMID:27077835

  2. Band gap engineering strategy via polarization rotation in perovskite ferroelectrics

    SciTech Connect

    Wang, Fenggong Grinberg, Ilya; Rappe, Andrew M.

    2014-04-14

    We propose a strategy to engineer the band gaps of perovskite oxide ferroelectrics, supported by first principles calculations. We find that the band gaps of perovskites can be substantially reduced by as much as 1.2 eV through local rhombohedral-to-tetragonal structural transition. Furthermore, the strong polarization of the rhombohedral perovskite is largely preserved by its tetragonal counterpart. The B-cation off-center displacements and the resulting enhancement of the antibonding character in the conduction band give rise to the wider band gaps of the rhombohedral perovskites. The correlation between the structure, polarization orientation, and electronic structure lays a good foundation for understanding the physics of more complex perovskite solid solutions and provides a route for the design of photovoltaic perovskite ferroelectrics.

  3. Reported and predicted structures of Ba(Co,Nb)(1-δ)O₃ hexagonal perovskite phases.

    PubMed

    Bradley, Kathryn A; Collins, Christopher; Dyer, Matthew S; Claridge, John B; Darling, George R; Rosseinsky, Matthew J

    2014-10-21

    The Extended Module Materials Assembly computational method for structure solution and prediction has been implemented for close-packed lattices. Exploring the family of B-site deficient materials in hexagonal perovskite barium cobalt niobates, it is found that the EMMA procedure returns the experimental structures as the most stable for the known compositions of Ba3CoNb2O9, Ba5Nb4O15 and Ba8CoNb6O24. The unknown compositions Ba11Co2Nb8O33 and Ba13CoNb10O39, having longer stacking sequences, are predicted to form as intergrowths of Ba3CoNb2O9 and Ba5Nb4O15, and are found to have similar stability to pure Ba3CoNb2O9 and Ba5Nb4O15, indicating that it is likely they can be synthesised. PMID:24871400

  4. Polar-solvent-free colloidal synthesis of highly luminescent alkylammonium lead halide perovskite nanocrystals.

    PubMed

    Vybornyi, Oleh; Yakunin, Sergii; Kovalenko, Maksym V

    2016-03-17

    A novel synthesis of hybrid organic-inorganic lead halide perovskite nanocrystals (CH3NH3PbX3, X = Br or I) that does not involve the use of dimethylformamide or other polar solvents is presented. The reaction between methylamine and PbX2 salts is conducted in a high-boiling nonpolar solvent (1-octadecene) in the presence of oleylamine and oleic acid as coordinating ligands. The resulting nanocrystals are characterized by high photoluminescence quantum efficiencies of 15-50%, outstanding phase purity and tunable shapes (nanocubes, nanowires, and nanoplatelets). Nanoplatelets spontaneously assemble into micrometer-length wires by face-to-face stacking. In addition, we demonstrate amplified spontaneous emission from thin films of green-emitting CH3NH3PbBr3 nanowires with low pumping thresholds of 3 μJ cm(-2). PMID:26645348

  5. Anticorrelated seismic velocity anomalies from post-perovskite in the lowermost mantle

    USGS Publications Warehouse

    Hutko, Alexander R.; Lay, T.; Revenaugh, Justin; Garnero, E.J.

    2008-01-01

    Earth's lowermost mantle has thermal, chemical, and mineralogical complexities that require precise seismological characterization. Stacking, migration, and modeling of over 10,000 P and S waves that traverse the deep mantle under the Cocos plate resolve structures above the core-mantle boundary. A small -0.07 ?? 0.15% decrease of P wave velocity (Vp) is accompanied by a 1.5 ?? 0.5% increase in S wave velocity (Vs) near a depth of 2570 km. Bulk-sound velocity [Vb = (V p2 - 4/3Vs2)1/2] decreases by -1.0 ?? 0.5% at this depth. Transition of the primary lower-mantle mineral, (Mg1-x-y FexAly)(Si,Al) O3 perovskite, to denser post-perovskite is expected to have a negligible effect on the bulk modulus while increasing the shear modulus by ???6%, resulting in local anticorrelation of Vb and Vs anomalies; this behavior explains the data well.

  6. Efficient Hole-Transporting Materials with Triazole Core for High-Efficiency Perovskite Solar Cells.

    PubMed

    Choi, Hyeju; Jo, Hyeonjun; Paek, Sanghyun; Koh, Kyungkuk; Ko, Haye Min; Lee, Jae Kwan; Ko, Jaejung

    2016-02-18

    Efficient hole-transporting materials (HTMs), TAZ-[MeOTPA]2 and TAZ-[MeOTPATh]2 incorporating two electron-rich diphenylamino side arms, through direct linkage or thiophen bridges, respectively, on the C3- and C5-positions of a 4-phenyl-1,2,4-triazole core were synthesized. These synthetic HTMs with donor-acceptor type molecular structures exhibited effective intramolecular charge transfer for improving the hole-transporting properties. The structural modification of HTMs by thiophene bridging might increase intermolecular π-π stacking in the solid state and afford a better spectral response because of their increased π-conjugation length. Perovskite-based cells using TAZ-[MeOTPA]2 and TAZ-[MeOTPATh]2 as HTMs afforded high power conversion efficiencies of 10.9 % and 14.4 %, respectively, showing a photovoltaic performance comparable to that obtained using spiro-OMeTAD. These synthetically simple and inexpensive HTMs hold promise for replacing the more expensive spiro-OMeTAD in high-efficiency perovskite solar cells. PMID:26573775

  7. Predominant Intermediate-Spin Ferrous Iron in Lowermost Mantle Post-Perovskite and Perovskite

    NASA Astrophysics Data System (ADS)

    Lin, J.; Watson, H. C.; Vanko, G.; Alp, E. E.; Prakapenka, V.; Dera, P.; Struzhkin, V. V.; Kubo, A.; Zhao, J.; McCammon, C.; Evans, W. J.

    2008-12-01

    Silicate post-perovskite and perovskite are believed to be the dominant minerals of the lowermost mantle and the lower mantle, respectively, and their properties, which can be strongly influenced by the electronic state of iron in these phases, affect our understanding of the nature of the deep Earth. To date, in these minerals the electronic spin state of iron remains unknown under lowermost-mantle pressure-temperature conditions, although recent studies have showed an electronic spin crossover from high-spin to low-spin in ferropericlase over an extended pressure-temperature range of the lower mantle (i.e., Lin et al., Science, 2007) and from high-spin to intermediate-spin in silicate perovskite near the top of the lower mantle (McCammon et al., Nature Geoscience, 2008). Here we report the spin and valence states of iron in post-perovskite and perovskite at pressure-temperature conditions relevant to the lowermost mantle using in situ X-ray emission, X-ray diffraction, and synchrotron Mossbauer spectroscopies in a laser-heated diamond cell. Perovskite and post-perovskite display extremely high quadrupole splitting (QS) of approximately 4 mm/s and relatively high center shift in the synchrotron Mossbauer spectra at 110 GPa and 134 GPa, respectively. Our results show that Fe2+ exists predominantly in the intermediate-spin state with a total spin number of one in both phases (Lin et al., Nature Geoscience, 2008). Together with recent results on the effects of the spin transition in the lower-mantle ferropericlase (see a recent review by Lin and Tsuchiya, PEPI, 2008), here we will address how the electronic spin states in lower-mantle phases and their associated effects affect our understanding on the composition, geophysics, and dynamics of the lower mantle.. References: 1. Lin, J. F., H. C. Watson, G. Vanko, E. E. Alp, V. B. Prakapenka, P. Dera, V. V. Struzhkin, A. Kubo, J. Zhao, C. McCammon, W. J. Evans, Intermediate-spin ferrous iron in lowermost mantle post-perovskite

  8. Organohalide Perovskites for Solar Energy Conversion.

    PubMed

    Lin, Qianqian; Armin, Ardalan; Burn, Paul L; Meredith, Paul

    2016-03-15

    Lead-based organohalide perovskites have recently emerged as arguably the most promising of all next generation thin film solar cell technologies. Power conversion efficiencies have reached 20% in less than 5 years, and their application to other optoelectronic device platforms such as photodetectors and light emitting diodes is being increasingly reported. Organohalide perovskites can be solution processed or evaporated at low temperatures to form simple thin film photojunctions, thus delivering the potential for the holy grail of high efficiency, low embedded energy, and low cost photovoltaics. The initial device-driven "perovskite fever" has more recently given way to efforts to better understand how these materials work in solar cells, and deeper elucidation of their structure-property relationships. In this Account, we focus on this element of organohalide perovskite chemistry and physics in particular examining critical electro-optical, morphological, and architectural phenomena. We first examine basic crystal and chemical structure, and how this impacts important solar-cell related properties such as the optical gap. We then turn to deeper electronic phenomena such as carrier mobilities, trap densities, and recombination dynamics, as well as examining ionic and dielectric properties and how these two types of physics impact each other. The issue of whether organohalide perovskites are predominantly nonexcitonic at room temperature is currently a matter of some debate, and we summarize the evidence for what appears to be the emerging field consensus: an exciton binding energy of order 10 meV. Having discussed the important basic chemistry and physics we turn to more device-related considerations including processing, morphology, architecture, thin film electro-optics and interfacial energetics. These phenomena directly impact solar cell performance parameters such as open circuit voltage, short circuit current density, internal and external quantum efficiency

  9. Protocol for In Vitro Stacked Molecules Compatible with In Vivo Recombinase-Mediated Gene Stacking.

    PubMed

    Chen, Weiqiang; Ow, David W

    2016-01-01

    Previously, we described a method for a recombinase-directed stacking of new DNA to an existing transgenic locus. Here, we describe how we can similarly stack DNA molecules in vitro and that the in vitro derived gene stack can be incorporated into an Agrobacterium transformation vector by in vitro recombination. After transfer to the chromosome by Agroinfection, the transgenic locus harbors a new target site that can be used for the subsequent in vivo stacking of new DNA. Alternatively, the in vitro derived gene stack has the potential to be integrated directly into the plant genome in vivo at a preexisting chromosomal target. Being able to stack DNA in vitro as well as in vivo, and with compatibility between the two systems, brings new flexibility for using the recombinase-mediated approach for transgene stacking. PMID:27557684

  10. Elastic anisotropy of experimental analogues of perovskite and post-perovskite help to interpret D'' diversity.

    PubMed

    Yoneda, Akira; Fukui, Hiroshi; Xu, Fang; Nakatsuka, Akihiko; Yoshiasa, Akira; Seto, Yusuke; Ono, Kenya; Tsutsui, Satoshi; Uchiyama, Hiroshi; Baron, Alfred Q R

    2014-01-01

    Recent studies show that the D'' layer, just above the Earth's core-mantle boundary, is composed of MgSiO3 post-perovskite and has significant lateral inhomogeneity. Here we consider the D'' diversity as related to the single-crystal elasticity of the post-perovskite phase. We measure the single-crystal elasticity of the perovskite Pbnm-CaIrO3 and post-perovskite Cmcm-CaIrO3 using inelastic X-ray scattering. These materials are structural analogues to same phases of MgSiO3. Our results show that Cmcm-CaIrO3 is much more elastically anisotropic than Pbnm-CaIrO3, which offers an explanation for the enigmatic seismic wave velocity jump at the D'' discontinuity. Considering the relation between lattice preferred orientation and seismic anisotropy in the D'' layer, we suggest that the c axis of post-perovskite MgSiO3 aligns vertically beneath the Circum-Pacific rim, and the b axis vertically beneath the Central Pacific. PMID:24670790

  11. Polar-solvent-free colloidal synthesis of highly luminescent alkylammonium lead halide perovskite nanocrystals

    NASA Astrophysics Data System (ADS)

    Vybornyi, Oleh; Yakunin, Sergii; Kovalenko, Maksym V.

    2016-03-01

    A novel synthesis of hybrid organic-inorganic lead halide perovskite nanocrystals (CH3NH3PbX3, X = Br or I) that does not involve the use of dimethylformamide or other polar solvents is presented. The reaction between methylamine and PbX2 salts is conducted in a high-boiling nonpolar solvent (1-octadecene) in the presence of oleylamine and oleic acid as coordinating ligands. The resulting nanocrystals are characterized by high photoluminescence quantum efficiencies of 15-50%, outstanding phase purity and tunable shapes (nanocubes, nanowires, and nanoplatelets). Nanoplatelets spontaneously assemble into micrometer-length wires by face-to-face stacking. In addition, we demonstrate amplified spontaneous emission from thin films of green-emitting CH3NH3PbBr3 nanowires with low pumping thresholds of 3 μJ cm-2.A novel synthesis of hybrid organic-inorganic lead halide perovskite nanocrystals (CH3NH3PbX3, X = Br or I) that does not involve the use of dimethylformamide or other polar solvents is presented. The reaction between methylamine and PbX2 salts is conducted in a high-boiling nonpolar solvent (1-octadecene) in the presence of oleylamine and oleic acid as coordinating ligands. The resulting nanocrystals are characterized by high photoluminescence quantum efficiencies of 15-50%, outstanding phase purity and tunable shapes (nanocubes, nanowires, and nanoplatelets). Nanoplatelets spontaneously assemble into micrometer-length wires by face-to-face stacking. In addition, we demonstrate amplified spontaneous emission from thin films of green-emitting CH3NH3PbBr3 nanowires with low pumping thresholds of 3 μJ cm-2. Electronic supplementary information (ESI) available: Materials and methods, additional figures. See DOI: 10.1039/c5nr06890h

  12. Thermoelectric properties of the 3C, 2H, 4H, and 6H polytypes of the wide-band-gap semiconductors SiC, GaN, and ZnO

    SciTech Connect

    Huang, Zheng; Lü, Tie-Yu; Wang, Hui-Qiong; Zheng, Jin-Cheng

    2015-09-15

    We have investigated the thermoelectric properties of the 3C, 2H, 4H, and 6H polytypes of the wide-band-gap(n-type) semiconductors SiC, GaN, and ZnO based on first-principles calculations and Boltzmann transport theory. Our results show that the thermoelectric performance increases from 3C to 6H, 4H, and 2H structures with an increase of hexagonality for SiC. However, for GaN and ZnO, their power factors show a very weak dependence on the polytype. Detailed analysis of the thermoelectric properties with respect to temperature and carrier concentration of 4H-SiC, 2H-GaN, and 2H-ZnO shows that the figure of merit of these three compounds increases with temperature, indicating the promising potential applications of these thermoelectric materials at high temperature. The significant difference of the polytype-dependent thermoelectric properties among SiC, GaN, and ZnO might be related to the competition between covalency and ionicity in these semiconductors. Our calculations may provide a new way to enhance the thermoelectric properties of wide-band-gap semiconductors through atomic structure design, especially hexagonality design for SiC.

  13. Barrier RF stacking at Fermilab

    SciTech Connect

    Weiren Chou et al.

    2003-06-04

    A key issue to upgrade the luminosity of the Tevatron Run2 program and to meet the neutrino requirement of the NuMI experiment at Fermilab is to increase the proton intensity on the target. This paper introduces a new scheme to double the number of protons from the Main Injector (MI) to the pbar production target (Run2) and to the pion production target (NuMI). It is based on the fact that the MI momentum acceptance is about a factor of four larger than the momentum spread of the Booster beam. Two RF barriers--one fixed, another moving--are employed to confine the proton beam. The Booster beams are injected off-momentum into the MI and are continuously reflected and compressed by the two barriers. Calculations and simulations show that this scheme could work provided that the Booster beam momentum spread can be kept under control. Compared with slip stacking, a main advantage of this new method is small beam loading effect thanks to the low peak beam current. The RF barriers can be generated by an inductive device, which uses nanocrystal magnet alloy (Finemet) cores and fast high voltage MOSFET switches. This device has been designed and fabricated by a Fermilab-KEK-Caltech team. The first bench test was successful. Beam experiments are being planned.

  14. Memory Stacking in Hierarchical Networks.

    PubMed

    Westö, Johan; May, Patrick J C; Tiitinen, Hannu

    2016-02-01

    Robust representations of sounds with a complex spectrotemporal structure are thought to emerge in hierarchically organized auditory cortex, but the computational advantage of this hierarchy remains unknown. Here, we used computational models to study how such hierarchical structures affect temporal binding in neural networks. We equipped individual units in different types of feedforward networks with local memory mechanisms storing recent inputs and observed how this affected the ability of the networks to process stimuli context dependently. Our findings illustrate that these local memories stack up in hierarchical structures and hence allow network units to exhibit selectivity to spectral sequences longer than the time spans of the local memories. We also illustrate that short-term synaptic plasticity is a potential local memory mechanism within the auditory cortex, and we show that it can bring robustness to context dependence against variation in the temporal rate of stimuli, while introducing nonlinearities to response profiles that are not well captured by standard linear spectrotemporal receptive field models. The results therefore indicate that short-term synaptic plasticity might provide hierarchically structured auditory cortex with computational capabilities important for robust representations of spectrotemporal patterns. PMID:26654206

  15. Machine learning bandgaps of double perovskites

    PubMed Central

    Pilania, G.; Mannodi-Kanakkithodi, A.; Uberuaga, B. P.; Ramprasad, R.; Gubernatis, J. E.; Lookman, T.

    2016-01-01

    The ability to make rapid and accurate predictions on bandgaps of double perovskites is of much practical interest for a range of applications. While quantum mechanical computations for high-fidelity bandgaps are enormously computation-time intensive and thus impractical in high throughput studies, informatics-based statistical learning approaches can be a promising alternative. Here we demonstrate a systematic feature-engineering approach and a robust learning framework for efficient and accurate predictions of electronic bandgaps of double perovskites. After evaluating a set of more than 1.2 million features, we identify lowest occupied Kohn-Sham levels and elemental electronegativities of the constituent atomic species as the most crucial and relevant predictors. The developed models are validated and tested using the best practices of data science and further analyzed to rationalize their prediction performance. PMID:26783247

  16. Machine learning bandgaps of double perovskites

    NASA Astrophysics Data System (ADS)

    Pilania, G.; Mannodi-Kanakkithodi, A.; Uberuaga, B. P.; Ramprasad, R.; Gubernatis, J. E.; Lookman, T.

    2016-01-01

    The ability to make rapid and accurate predictions on bandgaps of double perovskites is of much practical interest for a range of applications. While quantum mechanical computations for high-fidelity bandgaps are enormously computation-time intensive and thus impractical in high throughput studies, informatics-based statistical learning approaches can be a promising alternative. Here we demonstrate a systematic feature-engineering approach and a robust learning framework for efficient and accurate predictions of electronic bandgaps of double perovskites. After evaluating a set of more than 1.2 million features, we identify lowest occupied Kohn-Sham levels and elemental electronegativities of the constituent atomic species as the most crucial and relevant predictors. The developed models are validated and tested using the best practices of data science and further analyzed to rationalize their prediction performance.

  17. Excited State Properties of Hybrid Perovskites.

    PubMed

    Saba, Michele; Quochi, Francesco; Mura, Andrea; Bongiovanni, Giovanni

    2016-01-19

    Metal halide perovskites have come to the attention of the scientific community for the progress achieved in solar light conversion. Energy sustainability is one of the priorities of our society, and materials advancements resulting in low-cost but efficient solar cells and large-area lighting devices represent a major goal for applied research. From a basic point of view, perovskites are an exotic class of hybrid materials combining some merits of organic and inorganic semiconductors: large optical absorption, large mobilities, and tunable band gap together with the possibility to be processed in solution. When a novel class of promising semiconductors comes into the limelight, lively discussions ensue on the photophysics of band-edge excitations, because just the states close to the band edge are entailed in energy/charge transport and light emission. This was the case several decades ago for III-V semiconductors, it has been up to 10 years ago for organics, and it is currently the case for perovskites. Our aim in this Account is to rationalize the body of experimental evidence on perovskite photophysics in a coherent theoretical framework, borrowing from the knowledge acquired over the years in materials optoelectronics. A crucial question is whether photon absorption leads to a population of unbound, conductive free charges or instead excitons, neutral and insulating bound states created by Coulomb interaction just below the energy of the band gap. We first focus on the experimental estimates of the exciton binding energy (Eb): at room temperature, Eb is comparable to the thermal energy kBT in MAPbI3 and increases up to values 2-3kBT in wide band gap MAPbBr3 and MAPbCl3. Statistical considerations predict that these values, even though comparable to or larger than thermal energy, let free carriers prevail over bound excitons for all levels of excitation densities relevant for devices. The analysis of photophysics evidence confirms that all hybrid halide

  18. Machine learning bandgaps of double perovskites

    DOE PAGESBeta

    Pilania, G.; Mannodi-Kanakkithodi, A.; Uberuaga, B. P.; Ramprasad, R.; Gubernatis, J. E.; Lookman, T.

    2016-01-19

    The ability to make rapid and accurate predictions on bandgaps of double perovskites is of much practical interest for a range of applications. While quantum mechanical computations for high-fidelity bandgaps are enormously computation-time intensive and thus impractical in high throughput studies, informatics-based statistical learning approaches can be a promising alternative. Here we demonstrate a systematic feature-engineering approach and a robust learning framework for efficient and accurate predictions of electronic bandgaps of double perovskites. After evaluating a set of more than 1.2 million features, we identify lowest occupied Kohn-Sham levels and elemental electronegativities of the constituent atomic species as the mostmore » crucial and relevant predictors. As a result, the developed models are validated and tested using the best practices of data science and further analyzed to rationalize their prediction performance.« less

  19. Hydrogen Solubility in Al-bearing Perovskite

    NASA Astrophysics Data System (ADS)

    Watson, H. C.; Krawczynski, M. J.; Fei, Y.

    2005-12-01

    It is generally accepted that silicate perovskite is the dominant mineral in the Earth's lower mantle. Previous studies have been completed to determine the physical and chemical characteristics of the pure end-member MgSiO3. Recent studies have shown that the addition of Al to MgSiO3 can have a significant effect on the material properties of the mineral, such as compressibility, and defect structure, as well as a great potential to dissolve water. We have synthesized Al-bearing perovskite samples under hydrous conditions in a multi-anvil apparatus at pressures ranging from 23-26 GPa and 1800oC. The starting materials consisted of brucite and silica powders mixed together and finely ground in a 1:1 molar ratio, with subsequent addition of Al2O3 powder at 2wt% intervals from 0%-6%. The mixed powders were tightly packed in Au capsules, housed in BN sleeves, and loaded into standard 8/3 multi-anvil assemblies. The experiments were brought to the appropriate pressure conditions for solubility of the different Al2O3 contents. The resulting perovskite crystals range in size from <20 microns to >100 microns in size. Their major element chemistry has been characterized by EPMA, and the H content of some samples has been measured by secondary ion mass spectrometry using a 6f Cameca ion microprobe and is substantial (>1200ppm in some samples). In this study, we correlate H content in the perovskites with Al concentration, and discussion follows on what effects this may have on potential substitution mechanisms, and correlated formation of oxygen vacancies, as well as water storage in the mantle, oxygen diffusion, and the potential of an oxygen ionic diffusion contribution to electrical conductivity in the mantle.

  20. The photophysics of perovskite solar cells

    NASA Astrophysics Data System (ADS)

    Sum, Tze Chien

    2014-09-01

    Solution-processed hybrid organic-inorganic perovskite solar cells, a newcomer to the photovoltaic arena, have taken the field by storm with their extraordinary power conversion efficiencies exceeding 17%. In this paper, the photophysics and the latest findings on the carrier dynamics and charge transfer mechanisms in this new class of photovoltaic material will be examined and distilled. Some open photophysics questions will also be discussed.

  1. Molten carbonate fuel cell stack design options

    SciTech Connect

    Benjamin, T.G.; Petri, R.J.

    1986-01-01

    Significant strides in molten carbonate fuel cell (MCFC) life and performance have been made during the last 20 years. Results include single cell performance improvement from 10 watts/ft/sup 2/ to 120 watts/ft/sup 2/, testing of several sub-scale stacks, and significant reductions in cost. In the 1980s, attention has turned toward stack-related issues including component dimensional and structural stability, cathode dissolution, sulfur poisoning, hardware design, electrolyte management, carbon dioxide conservation, internal reforming, and systems considerations. This paper discusses MCFC stack hardware design options and present a brief introduction to MCFC technology. 4 refs., 8 figs.

  2. Molten carbonate fuel cell stack design options

    SciTech Connect

    Benjamin, T.G.; Petri, R.J.

    1986-03-01

    Significant strides in molten carbonate fuel cell (MCFC) life and performance have been made during the last 20 years. Results include single cell performance improvement from 10 watts/ft/sup 2/ to 120 watts/ft/sup 2/, testing of several sub-scale stacks, and significant reductions in cost. In the 1980's, attention has turned toward stack-related issues including component dimensional and structural stability, cathode dissolution, sulfur poisoning, hardware design, electrolyte management, carbon dioxide conservation, internal reforming, and systems considerations. This paper discusses MCFC stack hardware design options and present a brief introduction to MCFC technology. 4 references, 8 figures.

  3. Slip stacking experiments at Fermilab main injector

    SciTech Connect

    Kiyomi Koba et al.

    2003-06-02

    In order to achieve an increase in proton intensity, Fermilab Main Injector will use a stacking process called ''slip stacking''. The intensity will be doubled by injecting one train of bunches at a slightly lower energy, another at a slightly higher energy, then bringing them together for the final capture. Beam studies have started for this process and we have already verified that, at least for a low beam intensity, the stacking procedure works as expected. For high intensity operation, development work of the feedback and feedforward systems is under way.

  4. Parallel transport on principal bundles over stacks

    NASA Astrophysics Data System (ADS)

    Collier, Brian; Lerman, Eugene; Wolbert, Seth

    2016-09-01

    In this paper we introduce a notion of parallel transport for principal bundles with connections over differentiable stacks. We show that principal bundles with connections over stacks can be recovered from their parallel transport thereby extending the results of Barrett, Caetano and Picken, and Schreiber and Waldorf from manifolds to stacks. In the process of proving our main result we simplify Schreiber and Waldorf's original definition of a transport functor for principal bundles with connections over manifolds and provide a more direct proof of the correspondence between principal bundles with connections and transport functors.

  5. Dynamical Stability of Slip-stacking Particles

    SciTech Connect

    Eldred, Jeffrey; Zwaska, Robert

    2014-09-04

    We study the stability of particles in slip-stacking configuration, used to nearly double proton beam intensity at Fermilab. We introduce universal area factors to calculate the available phase space area for any set of beam parameters without individual simulation. We find perturbative solutions for stable particle trajectories. We establish Booster beam quality requirements to achieve 97% slip-stacking efficiency. We show that slip-stacking dynamics directly correspond to the driven pendulum and to the system of two standing-wave traps moving with respect to each other.

  6. Dynamical stability of slip-stacking particles

    NASA Astrophysics Data System (ADS)

    Eldred, Jeffrey; Zwaska, Robert

    2014-09-01

    We study the stability of particles in slip-stacking configuration, used to nearly double proton beam intensity at Fermilab. We introduce universal area factors to calculate the available phase space area for any set of beam parameters without individual simulation. We find perturbative solutions for stable particle trajectories. We establish Booster beam quality requirements to achieve 97% slip-stacking efficiency. We show that slip-stacking dynamics directly correspond to the driven pendulum and to the system of two standing-wave traps moving with respect to each other.

  7. Resistance switching memory in perovskite oxides

    SciTech Connect

    Yan, Z.B. Liu, J.-M.

    2015-07-15

    The resistance switching behavior has recently attracted great attentions for its application as resistive random access memories (RRAMs) due to a variety of advantages such as simple structure, high-density, high-speed and low-power. As a leading storage media, the transition metal perovskite oxide owns the strong correlation of electrons and the stable crystal structure, which brings out multifunctionality such as ferroelectric, multiferroic, superconductor, and colossal magnetoresistance/electroresistance effect, etc. The existence of rich electronic phases, metal–insulator transition and the nonstoichiometric oxygen in perovskite oxide provides good platforms to insight into the resistive switching mechanisms. In this review, we first introduce the general characteristics of the resistance switching effects, the operation methods and the storage media. Then, the experimental evidences of conductive filaments, the transport and switching mechanisms, and the memory performances and enhancing methods of perovskite oxide based filamentary RRAM cells have been summarized and discussed. Subsequently, the switching mechanisms and the performances of the uniform RRAM cells associating with the carrier trapping/detrapping and the ferroelectric polarization switching have been discussed. Finally, the advices and outlook for further investigating the resistance switching and enhancing the memory performances are given.

  8. A-site ordered quadruple perovskite oxides

    NASA Astrophysics Data System (ADS)

    Youwen, Long

    2016-07-01

    The A-site ordered perovskite oxides with chemical formula display many intriguing physical properties due to the introduction of transition metals at both A‧ and B sites. Here, research on the recently discovered intermetallic charge transfer occurring between A‧-site Cu and B-site Fe ions in LaCu3Fe4O12 and its analogues is reviewed, along with work on the magnetoelectric multiferroicity observed in LaMn3Cr4O12 with cubic perovskite structure. The Cu–Fe intermetallic charge transfer leads to a first-order isostructural phase transition accompanied by drastic variations in magnetism and electrical transport properties. The LaMn3Cr4O12 is a novel spin-driven multiferroic system with strong magnetoelectric coupling effects. The compound is the first example of cubic perovskite multiferroics to be found. It opens up a new arena for studying unexpected multiferroic mechanisms. Project supported by the National Basic Research Program of China (Grant No. 2014CB921500), the Strategic Priority Research Program of the Chinese Academy of Sciences (Grant No. XDB07030300), and the National Natural Science Foundation of China (Grant No. 11574378).

  9. Lattice effects on ferromagnetism in perovskite ruthenates

    PubMed Central

    Cheng, J.-G.; Zhou, J.-S.; Goodenough, John B.

    2013-01-01

    Ferromagnetism and its evolution in the orthorhombic perovskite system Sr1–xCaxRuO3 have been widely believed to correlate with structural distortion. The recent development of high-pressure synthesis of the Ba-substituted Sr1–yBayRuO3 makes it possible to study ferromagnetism over a broader phase diagram, which includes the orthorhombic Imma and the cubic phases. However, the chemical substitutions introduce the A-site disorder effect on Tc, which complicates determination of the relationship between ferromagnetism and structural distortion. By clarifying the site disorder effect on Tc in several unique series of ruthenates in which the average bond length 〈A–O〉 remains the same but the bond-length variance varies, we are able to demonstrate a parabolic curve of Tc versus mean bond length 〈A–O〉. A much higher Tc ∼ 177 K than that found in orthorhombic SrRuO3 can be obtained from the curve at a bond length 〈A–O〉, which makes the geometric factor t = 〈A–O〉/(√2〈Ru–O〉) ∼ 1. This result reveals not only that the ferromagnetism in the ruthenates is extremely sensitive to the lattice strain, but also that it has an important implication for exploring the structure–property relationship in a broad range of oxides with perovskite or a perovskite-related structure. PMID:23904477

  10. Light-trapping in perovskite solar cells

    NASA Astrophysics Data System (ADS)

    Du, Qing Guo; Shen, Guansheng; John, Sajeev

    2016-06-01

    We numerically demonstrate enhanced light harvesting efficiency in both CH3NH3PbI3 and CH(NH2)2PbI3-based perovskite solar cells using inverted vertical-cone photonic-crystal nanostructures. For CH3NH3PbI3 perovskite solar cells, the maximum achievable photocurrent density (MAPD) reaches 25.1 mA/cm2, corresponding to 92% of the total available photocurrent in the absorption range of 300 nm to 800 nm. Our cell shows 6% absorption enhancement compared to the Lambertian limit (23.7 mA/cm2) and has a projected power conversion efficiency of 12.9%. Excellent solar absorption is numerically demonstrated over a broad angular range from 0 to 60 degree for both S- and P- polarizations. For the corresponding CH(NH2)2PbI3 based perovskite solar cell, with absorption range of 300 nm to 850 nm, we find a MAPD of 29.1 mA/cm2, corresponding to 95.4% of the total available photocurrent. The projected power conversion efficiency of the CH(NH2)2PbI3 based photonic crystal solar cell is 23.4%, well above the current world record efficiency of 20.1%.

  11. Stacked vapor fed amtec modules

    DOEpatents

    Sievers, Robert K.

    1989-01-01

    The present invention pertains to a stacked AMTEC module. The invention includes a tubular member which has an interior. The member is comprised of a ion conductor that substantially conducts ions relative to electrons, preferably a beta"-alumina solid electrolyte, positioned about the interior. A porous electrode for conducting electrons and allowing sodium ions to pass therethrough, and wherein electrons and sodium ions recombine to form sodium is positioned about the beta"-alumina solid electrolyte. The electrode is operated at a temperature and a pressure that allows the recombined sodium to vaporize. Additionally, an outer current collector grid for distributing electrons throughout the porous electrode is positioned about and contacts the porous electrode. Also included in the invention is transporting means for transporting liquid sodium to the beta"-alumina solid electrolyte of the tubular member. A transition piece is positioned about the interior of the member and contacts the transporting means. The transition piece divides the member into a first cell and a second cell such that each first and second cell has a beta"-alumina solid electrolyte, a first and second porous electrode and a grid. The transition piece conducts electrons from the interior of the tubular member. There is supply means for supplying sodium to the transporting means. Preferably the supply means is a shell which surrounds the tubular member and is operated at a temperature such that the vaporized sodium condenses thereon. Returning means for returning the condensed sodium from the shell to the transporting means provides a continuous supply of liquid sodium to the transporting means. Also, there are first conducting means for conducting electric current from the transition piece which extends through the shell, and second conducting means for conducting electric current to the grid of the first cell which extends through the shell.

  12. Wearable solar cells by stacking textile electrodes.

    PubMed

    Pan, Shaowu; Yang, Zhibin; Chen, Peining; Deng, Jue; Li, Houpu; Peng, Huisheng

    2014-06-10

    A new and general method to produce flexible, wearable dye-sensitized solar cell (DSC) textiles by the stacking of two textile electrodes has been developed. A metal-textile electrode that was made from micrometer-sized metal wires was used as a working electrode, while the textile counter electrode was woven from highly aligned carbon nanotube fibers with high mechanical strengths and electrical conductivities. The resulting DSC textile exhibited a high energy conversion efficiency that was well maintained under bending. Compared with the woven DSC textiles that are based on wire-shaped devices, this stacked DSC textile unexpectedly exhibited a unique deformation from a rectangle to a parallelogram, which is highly desired in portable electronics. This lightweight and wearable stacked DSC textile is superior to conventional planar DSCs because the energy conversion efficiency of the stacked DSC textile was independent of the angle of incident light. PMID:24789065

  13. Characterization of Piezoelectric Stacks for Space Applications

    NASA Technical Reports Server (NTRS)

    Sherrit, Stewart; Jones, Christopher; Aldrich, Jack; Blodget, Chad; Bao, Xiaoqi; Badescu, Mircea; Bar-Cohen, Yoseph

    2008-01-01

    Future NASA missions are increasingly seeking to actuate mechanisms to precision levels in the nanometer range and below. Co-fired multilayer piezoelectric stacks offer the required actuation precision that is needed for such mechanisms. To obtain performance statistics and determine reliability for extended use, sets of commercial PZT stacks were tested in various AC and DC conditions at both nominal and high temperatures and voltages. In order to study the lifetime performance of these stacks, five actuators were driven sinusoidally for up to ten billion cycles. An automated data acquisition system was developed and implemented to monitor each stack's electrical current and voltage waveforms over the life of the test. As part of the monitoring tests, the displacement, impedance, capacitance and leakage current were measured to assess the operation degradation. This paper presents some of the results of this effort.

  14. Near-Earth Asteroid Stack - Mission Animation

    NASA Video Gallery

    A possible stack configuration - a deep space habitat, the Orion Multi-Purpose Crew Vehicle and Space Exploration Vehicle - approaches a near-Earth asteroid. During a mission that could take months...

  15. 40 CFR 61.33 - Stack sampling.

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... EMISSION STANDARDS FOR HAZARDOUS AIR POLLUTANTS National Emission Standard for Beryllium § 61.33 Stack... Administrator. (d) All samples shall be analyzed and beryllium emissions shall be determined within 30...

  16. 40 CFR 61.33 - Stack sampling.

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... EMISSION STANDARDS FOR HAZARDOUS AIR POLLUTANTS National Emission Standard for Beryllium § 61.33 Stack... results reported to the Administrator. (d) All samples shall be analyzed and beryllium emissions shall...

  17. 40 CFR 61.33 - Stack sampling.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... EMISSION STANDARDS FOR HAZARDOUS AIR POLLUTANTS National Emission Standard for Beryllium § 61.33 Stack... Administrator. (d) All samples shall be analyzed and beryllium emissions shall be determined within 30...

  18. 40 CFR 61.33 - Stack sampling.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... EMISSION STANDARDS FOR HAZARDOUS AIR POLLUTANTS National Emission Standard for Beryllium § 61.33 Stack... Administrator. (d) All samples shall be analyzed and beryllium emissions shall be determined within 30...

  19. 40 CFR 61.33 - Stack sampling.

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... EMISSION STANDARDS FOR HAZARDOUS AIR POLLUTANTS National Emission Standard for Beryllium § 61.33 Stack... Administrator. (d) All samples shall be analyzed and beryllium emissions shall be determined within 30...

  20. On Understanding Stacking Fault Formation in Ice

    NASA Astrophysics Data System (ADS)

    Pirzadeh, Payman; Kusalik, Peter G.

    2012-12-01

    Despite dedicated efforts aimed at revealing possible molecular structures of the ice defects associated with stacking faults in ice (I), these molecular arrangements have remained a puzzle. Here we demonstrate how the reorganization of water molecules on different faces of ice (I) can facilitate formation of stacking faults within a crystal. We show that a pair of point defects can manifest a particular combination of coupled five- and eight-membered rings (5-8 rings). These structural motifs can facilitate a shift in layers within an ice (I) crystal, thereby inducing stacking faults. Furthermore, the presence of molecular solutes such as methane at the ice interface appears to trigger the formation of coupled 5-8 rings. The observation of such coupled 5-8 ring defects provides insights into the possible molecular mechanisms of stacking fault formation in ice (I) and has implications for ice crystal growth phenomenology and the consequent physical and chemical properties of ice.

  1. Stack Characterization System Development and Testing

    SciTech Connect

    Noakes, Mark W; Lind, Randall F; Lloyd, Peter D; Pin, Francois G; Rowe, John C

    2011-01-01

    Oak Ridge National Laboratory, as well as the rest of the U.S. Department of Energy community, has numerous off-gas stacks that need to be decommissioned, demolished, and packaged for disposal. Disposal requires a waste disposition determination phase. Process knowledge typically makes a worst-case scenario decision that may place lower-level waste into a more expensive higher-level waste disposal category. Truly useful radiological and chemical sampling can be problematic on old stacks due to their inherent height and access hazards, and many of these stacks have begun to deteriorate structurally. A remote stack characterization system (SCS) that can manage sample and data collection removes people from the hazards and provides an opportunity for access to difficult to reach internal stack areas. The SCS is a remotely operated articulated radiological data recovery system designed to deploy down into off-gas stacks from the top via crane. The battery-powered SCS is designed to stabilize itself against the stack walls and move various data recovery systems into areas of interest on the inner stack walls. Stabilization is provided by a tripod structure; sensors are mounted in a rotatable bipod underneath the tripod. Sensors include a beta/gamma/alpha detector, a removable contaminant multi-sample automated sampler, and a multi-core remote core drill. Multiple cameras provide remote task viewing, support for sampling, and video documentation of the process. A delay in funding has delayed project delivery somewhat. Therefore, this paper describes the technology and shows fabrication and testing progress to the extent that data is available.

  2. Stacking fault energy in some single crystals

    NASA Astrophysics Data System (ADS)

    Vora, Aditya M.

    2012-06-01

    The stacking fault energy of single crystals has been reported using the peak shift method. Presently studied all single crystals are grown by using a direct vapor transport (DVT) technique in the laboratory. The structural characterizations of these crystals are made by XRD. Considerable variations are shown in deformation (α) and growth (β) probabilities in single crystals due to off-stoichiometry, which possesses the stacking fault in the single crystal.

  3. Cosmic ray test of INO RPC stack

    NASA Astrophysics Data System (ADS)

    Bhuyan, M.; Datar, V. M.; Kalmani, S. D.; Lahamge, S. M.; Mondal, N. K.; Nagaraj, P.; Pal, S.; Reddy, L. V.; Redij, A.; Samuel, D.; Saraf, M. N.; Satyanarayana, B.; Shinde, R. R.; Verma, P.

    2012-01-01

    The India-based Neutrino Observatory (INO) collaboration is planning to build a 50 kt magnetised iron calorimeter (ICAL) detector using glass Resistive Plate Chambers (RPCs) as active detector elements. A stack of 12 such glass RPCs of 1 m ×1 m in area is tracking cosmic ray muons for over three years. In this paper, we will review the constructional aspects of the stack and discuss the performance of the RPCs using this cosmic ray data.

  4. High Efficiency Pb-In Binary Metal Perovskite Solar Cells.

    PubMed

    Wang, Zhao-Kui; Li, Meng; Yang, Ying-Guo; Hu, Yun; Ma, Heng; Gao, Xing-Yu; Liao, Liang-Sheng

    2016-08-01

    Mixed Pb-In perovskite solar cells are fabricated by using lead(II) chloride and indium(III) chloride with methylammonium iodide. A maximum power conversion efficiency as high as 17.55% is achieved owing to the high quality of perovskites with multiple ordered crystal orientations. PMID:27184107

  5. Enhanced Charge Collection with Passivation Layers in Perovskite Solar Cells.

    PubMed

    Lee, Yong Hui; Luo, Jingshan; Son, Min-Kyu; Gao, Peng; Cho, Kyung Taek; Seo, Jiyoun; Zakeeruddin, Shaik M; Grätzel, Michael; Nazeeruddin, Mohammad Khaja

    2016-05-01

    The Al2 O3 passivation layer is beneficial for mesoporous TiO2 -based perovskite solar cells when it is deposited selectively on the compact TiO2 surface. Such a passivation layer suppressing surface recombination can be formed by thermal decomposition of the perovskite layer during post-annealing. PMID:26928481

  6. Solution Chemistry Engineering toward High-Efficiency Perovskite Solar Cells.

    PubMed

    Zhao, Yixin; Zhu, Kai

    2014-12-01

    Organic and inorganic hybrid perovskites (e.g., CH3NH3PbI3) have emerged as a revolutionary class of light-absorbing semiconductors that has demonstrated a rapid increase in efficiency within a few years of active research. Controlling perovskite morphology and composition has been found critical to developing high-performance perovskite solar cells. The recent development of solution chemistry engineering has led to fabrication of greater than 15-17%-efficiency solar cells by multiple groups, with the highest certified 17.9% efficiency that has significantly surpassed the best-reported perovskite solar cell by vapor-phase growth. In this Perspective, we review recent progress on solution chemistry engineering processes and various control parameters that are critical to the success of solution growth of high-quality perovskite films. We discuss the importance of understanding the impact of solution-processing parameters and perovskite film architectures on the fundamental charge carrier dynamics in perovskite solar cells. The cost and stability issues of perovskite solar cells will also be discussed. PMID:26278951

  7. Two Dimensional Organometal Halide Perovskite Nanorods with Tunable Optical Properties.

    PubMed

    Aharon, Sigalit; Etgar, Lioz

    2016-05-11

    Organo-metal halide perovskite is an efficient light harvester in photovoltaic solar cells. Organometal halide perovskite is used mainly in its "bulk" form in the solar cell. Confined perovskite nanostructures could be a promising candidate for efficient optoelectronic devices, taking advantage of the superior bulk properties of organo-metal halide perovskite, as well as the nanoscale properties. In this paper, we present facile low-temperature synthesis of two-dimensional (2D) lead halide perovskite nanorods (NRs). These NRs show a shift to higher energies in the absorbance and in the photoluminescence compared to the bulk material, which supports their 2D structure. X-ray diffraction (XRD) analysis of the NRs demonstrates their 2D nature combined with the tetragonal 3D perovskite structure. In addition, by alternating the halide composition, we were able to tune the optical properties of the NRs. Fast Fourier transform, and electron diffraction show the tetragonal structure of these NRs. By varying the ligands ratio (e.g., octylammonium to oleic acid) in the synthesis, we were able to provide the formation mechanism of these novel 2D perovskite NRs. The 2D perovskite NRs are promising candidates for a variety of optoelectronic applications, such as light-emitting diodes, lasing, solar cells, and sensors. PMID:27089497

  8. Stacking interactions in PUF-RNA complexes

    SciTech Connect

    Yiling Koh, Yvonne; Wang, Yeming; Qiu, Chen; Opperman, Laura; Gross, Leah; Tanaka Hall, Traci M; Wickens, Marvin

    2012-07-02

    Stacking interactions between amino acids and bases are common in RNA-protein interactions. Many proteins that regulate mRNAs interact with single-stranded RNA elements in the 3' UTR (3'-untranslated region) of their targets. PUF proteins are exemplary. Here we focus on complexes formed between a Caenorhabditis elegans PUF protein, FBF, and its cognate RNAs. Stacking interactions are particularly prominent and involve every RNA base in the recognition element. To assess the contribution of stacking interactions to formation of the RNA-protein complex, we combine in vivo selection experiments with site-directed mutagenesis, biochemistry, and structural analysis. Our results reveal that the identities of stacking amino acids in FBF affect both the affinity and specificity of the RNA-protein interaction. Substitutions in amino acid side chains can restrict or broaden RNA specificity. We conclude that the identities of stacking residues are important in achieving the natural specificities of PUF proteins. Similarly, in PUF proteins engineered to bind new RNA sequences, the identity of stacking residues may contribute to 'target' versus 'off-target' interactions, and thus be an important consideration in the design of proteins with new specificities.

  9. Theory of hydrogen migration in organic-inorganic halide perovskites.

    PubMed

    Egger, David A; Kronik, Leeor; Rappe, Andrew M

    2015-10-12

    Solar cells based on organic-inorganic halide perovskites have recently been proven to be remarkably efficient. However, they exhibit hysteresis in their current-voltage curves, and their stability in the presence of water is problematic. Both issues are possibly related to a diffusion of defects in the perovskite material. By using first-principles calculations based on density functional theory, we study the properties of an important defect in hybrid perovskites-interstitial hydrogen. We show that differently charged defects occupy different crystal sites, which may allow for ionization-enhanced defect migration following the Bourgoin-Corbett mechanism. Our analysis highlights the structural flexibility of organic-inorganic perovskites: successive iodide displacements, combined with hydrogen bonding, enable proton diffusion with low migration barriers. These findings indicate that hydrogen defects can be mobile and thus highly relevant for the performance of perovskite solar cells. PMID:26073061

  10. Nano-structured electron transporting materials for perovskite solar cells

    NASA Astrophysics Data System (ADS)

    Liu, Hefei; Huang, Ziru; Wei, Shiyuan; Zheng, Lingling; Xiao, Lixin; Gong, Qihuang

    2016-03-01

    Organic-inorganic hybrid perovskite solar cells have been developing rapidly in the past several years, and their power conversion efficiency has reached over 20%, nearing that of polycrystalline silicon solar cells. Because the diffusion length of the hole in perovskites is longer than that of the electron, the performance of the device can be improved by using an electron transporting layer, e.g., TiO2, ZnO and TiO2/Al2O3. Nano-structured electron transporting materials facilitate not only electron collection but also morphology control of the perovskites. The properties, morphology and preparation methods of perovskites are reviewed in the present article. A comprehensive understanding of the relationship between the structure and property will benefit the precise control of the electron transporting process and thus further improve the performance of perovskite solar cells.

  11. Nano-structured electron transporting materials for perovskite solar cells.

    PubMed

    Liu, Hefei; Huang, Ziru; Wei, Shiyuan; Zheng, Lingling; Xiao, Lixin; Gong, Qihuang

    2016-03-17

    Organic-inorganic hybrid perovskite solar cells have been developing rapidly in the past several years, and their power conversion efficiency has reached over 20%, nearing that of polycrystalline silicon solar cells. Because the diffusion length of the hole in perovskites is longer than that of the electron, the performance of the device can be improved by using an electron transporting layer, e.g., TiO2, ZnO and TiO2/Al2O3. Nano-structured electron transporting materials facilitate not only electron collection but also morphology control of the perovskites. The properties, morphology and preparation methods of perovskites are reviewed in the present article. A comprehensive understanding of the relationship between the structure and property will benefit the precise control of the electron transporting process and thus further improve the performance of perovskite solar cells. PMID:26457406

  12. Planar-integrated single-crystalline perovskite photodetectors

    PubMed Central

    Saidaminov, Makhsud I.; Adinolfi, Valerio; Comin, Riccardo; Abdelhady, Ahmed L.; Peng, Wei; Dursun, Ibrahim; Yuan, Mingjian; Hoogland, Sjoerd; Sargent, Edward H.; Bakr, Osman M.

    2015-01-01

    Hybrid perovskites are promising semiconductors for optoelectronic applications. However, they suffer from morphological disorder that limits their optoelectronic properties and, ultimately, device performance. Recently, perovskite single crystals have been shown to overcome this problem and exhibit impressive improvements: low trap density, low intrinsic carrier concentration, high mobility, and long diffusion length that outperform perovskite-based thin films. These characteristics make the material ideal for realizing photodetection that is simultaneously fast and sensitive; unfortunately, these macroscopic single crystals cannot be grown on a planar substrate, curtailing their potential for optoelectronic integration. Here we produce large-area planar-integrated films made up of large perovskite single crystals. These crystalline films exhibit mobility and diffusion length comparable with those of single crystals. Using this technique, we produced a high-performance light detector showing high gain (above 104 electrons per photon) and high gain-bandwidth product (above 108 Hz) relative to other perovskite-based optical sensors. PMID:26548941

  13. Integrating perovskite solar cells into a flexible fiber.

    PubMed

    Qiu, Longbin; Deng, Jue; Lu, Xin; Yang, Zhibin; Peng, Huisheng

    2014-09-22

    Perovskite solar cells have triggered a rapid development of new photovoltaic devices because of high energy conversion efficiencies and their all-solid-state structures. To this end, they are particularly useful for various wearable and portable electronic devices. Perovskite solar cells with a flexible fiber structure were now prepared for the first time by continuously winding an aligned multiwalled carbon nanotube sheet electrode onto a fiber electrode; photoactive perovskite materials were incorporated in between them through a solution process. The fiber-shaped perovskite solar cell exhibits an energy conversion efficiency of 3.3%, which remained stable on bending. The perovskite solar cell fibers may be woven into electronic textiles for large-scale application by well-developed textile technologies. PMID:25047870

  14. Recent progress and challenges of organometal halide perovskite solar cells

    NASA Astrophysics Data System (ADS)

    Yang, Liyan; Barrows, Alexander T.; Lidzey, David G.; Wang, Tao

    2016-02-01

    We review recent progress in the development of organometal halide perovskite solar cells. We discuss different compounds used to construct perovskite photoactive layers, as well as the optoelectronic properties of this system. The factors that affect the morphology of the perovskite active layer are explored, e.g. material composition, film deposition methods, casting solvent and various post-treatments. Different strategies are reviewed that have recently emerged to prepare high performing perovskite films, creating polycrystalline films having either large or small grain size. Devices that are constructed using meso-superstructured and planar architectures are summarized and the impact of the fabrication process on operational efficiency is discussed. Finally, important research challenges (hysteresis, thermal and moisture instability, mechanical flexibility, as well as the development of lead-free materials) in the development of perovskite solar cells are outlined and their potential solutions are discussed.

  15. Two-Dimensional Perovskite Activation with an Organic Luminophore.

    PubMed

    Jemli, Khaoula; Audebert, Pierre; Galmiche, Laurent; Trippé-Allard, Gaelle; Garrot, Damien; Lauret, Jean-Sébastien; Deleporte, Emmanuelle

    2015-10-01

    A great advantage of the hybrid organic-inorganic perovskites is the chemical flexibility and the possibility of a molecular engineering of each part of the material (the inorganic part and the organic part respectively) in order to improve or add some functionalities. An adequately chosen organic luminophore has been introduced inside a lead bromide type organic-inorganic perovskite, while respecting the two-dimensional perovskite structure. A substantial increase of the brilliance of the perovskite is obtained. This activation of the perovskite luminescence by the adequate engineering of the organic part is an original approach, and is particularly interesting in the framework of the light-emitting devices such as organic light-emitting diodes (OLEDs) or lasers. PMID:26340054

  16. Highly efficient light management for perovskite solar cells

    PubMed Central

    Wang, Dong-Lin; Cui, Hui-Juan; Hou, Guo-Jiao; Zhu, Zhen-Gang; Yan, Qing-Bo; Su, Gang

    2016-01-01

    Organic-inorganic halide perovskite solar cells have enormous potential to impact the existing photovoltaic industry. As realizing a higher conversion efficiency of the solar cell is still the most crucial task, a great number of schemes were proposed to minimize the carrier loss by optimizing the electrical properties of the perovskite solar cells. Here, we focus on another significant aspect that is to minimize the light loss by optimizing the light management to gain a high efficiency for perovskite solar cells. In our scheme, the slotted and inverted prism structured SiO2 layers are adopted to trap more light into the solar cells, and a better transparent conducting oxide layer is employed to reduce the parasitic absorption. For such an implementation, the efficiency and the serviceable angle of the perovskite solar cell can be promoted impressively. This proposal would shed new light on developing the high-performance perovskite solar cells. PMID:26733112

  17. Perovskite-fullerene hybrid materials suppress hysteresis in planar diodes

    NASA Astrophysics Data System (ADS)

    Xu, Jixian; Buin, Andrei; Ip, Alexander H.; Li, Wei; Voznyy, Oleksandr; Comin, Riccardo; Yuan, Mingjian; Jeon, Seokmin; Ning, Zhijun; McDowell, Jeffrey J.; Kanjanaboos, Pongsakorn; Sun, Jon-Paul; Lan, Xinzheng; Quan, Li Na; Kim, Dong Ha; Hill, Ian G.; Maksymovych, Peter; Sargent, Edward H.

    2015-05-01

    Solution-processed planar perovskite devices are highly desirable in a wide variety of optoelectronic applications; however, they are prone to hysteresis and current instabilities. Here we report the first perovskite-PCBM hybrid solid with significantly reduced hysteresis and recombination loss achieved in a single step. This new material displays an efficient electrically coupled microstructure: PCBM is homogeneously distributed throughout the film at perovskite grain boundaries. The PCBM passivates the key PbI3- antisite defects during the perovskite self-assembly, as revealed by theory and experiment. Photoluminescence transient spectroscopy proves that the PCBM phase promotes electron extraction. We showcase this mixed material in planar solar cells that feature low hysteresis and enhanced photovoltage. Using conductive AFM studies, we reveal the memristive properties of perovskite films. We close by positing that PCBM, by tying up both halide-rich antisites and unincorporated halides, reduces electric field-induced anion migration that may give rise to hysteresis and unstable diode behaviour.

  18. Highly efficient light management for perovskite solar cells

    NASA Astrophysics Data System (ADS)

    Wang, Dong-Lin; Cui, Hui-Juan; Hou, Guo-Jiao; Zhu, Zhen-Gang; Yan, Qing-Bo; Su, Gang

    2016-01-01

    Organic-inorganic halide perovskite solar cells have enormous potential to impact the existing photovoltaic industry. As realizing a higher conversion efficiency of the solar cell is still the most crucial task, a great number of schemes were proposed to minimize the carrier loss by optimizing the electrical properties of the perovskite solar cells. Here, we focus on another significant aspect that is to minimize the light loss by optimizing the light management to gain a high efficiency for perovskite solar cells. In our scheme, the slotted and inverted prism structured SiO2 layers are adopted to trap more light into the solar cells, and a better transparent conducting oxide layer is employed to reduce the parasitic absorption. For such an implementation, the efficiency and the serviceable angle of the perovskite solar cell can be promoted impressively. This proposal would shed new light on developing the high-performance perovskite solar cells.

  19. Weakening of Calcium Iridate During its Transformation from Perovskite to Post-Perovskite

    SciTech Connect

    Hunt, S.; Weidner, D; Li, L; Wang, L; Walte, N; Brodholt, J; Dobson, D

    2009-01-01

    The lowermost part of the Earth's mantle - the {approx}200-km-thick D{double_prime} layer - shows anomalous seismic properties, and is rheologically distinct from the rest of the lower mantle. The difference is thought to result from a phase transition from silicate perovskite to silicate post-perovskite. However, the rheology of the latter phase remains to be documented owing to experimental difficulties in reproducing pressures equivalent to those in the lowermost mantle. Here we address this problem by conducting laboratory experiments that use calcium iridate, which has been shown to be an appropriate low-pressure analogue. We find that the post-perovskite phase of this analogue is approximately five times weaker than its perovskite phase, and that it further weakens by a factor of two during the phase transformation; these are minimum estimates. If, as is likely, a similar weakening occurs in lower-mantle magnesium - silicate compositions, this could provide an explanation for the behaviour of the lowermost mantle as inferred from geophysical data.

  20. Stacked subwavelength gratings for imaging polarimetry

    NASA Astrophysics Data System (ADS)

    Deguzman, Panfilo Castro

    The stacking of subwavelength gratings (SWG) in an integrated structure is presented for an application in imaging polarimetry. Imaging polarimetry extends the capability of conventional imaging by providing polarization information about a scene, in addition to variations in intensity. In this dissertation, a novel approach is introduced to develop a real-time imaging polarimeter. Subwavelength gratings are implemented as linear and circular polarization filters that are directly mounted onto the focal plane array of an infrared (IR) camera. Wire grid polarizers are used as linear polarization filters. The stacked structure, consisting of a wire grid polarizer and a form birefringent quarter-wave plate (QWP), implements the circular polarization filter and is the focus of this dissertation. Initial investigations of the development of the individual SWG components and their integration are presented. Rigorous Coupled Wave Analysis (RCWA) was used to design the SWG structures. A broadband form birefringent quarter-wave plate for the 3.5 to 5 μm wavelength range was designed as a grating structure patterned directly into the substrate. Two fabrication methods for the wire grid polarizer were investigated. A 0.5 μm period polarizer was patterned by interference lithography. A 1 μm period polarizer was patterned by contact printing. The stacking of the subwavelength grating structures was analyzed using the Jones Matrix calculus and a new RCWA method (developed by fellow graduate student Jianhua Jiang). Stacked SWG's were fabricated as large area (1.3 cm x 1.3 cm) filters and as a 256 x 256 array of small aperture (15 μm x 15 μm) pixels. Two stack designs were investigated, referred to as Stack I and Stack II. Stack I consisted of the 0.5 μm period polarizer and the form birefringent QWP. Stack II consisted of the I μm grid period polarizer and the form birefringent QWP. Simulation and measured results are presented to compare the cases of samples with and

  1. Generalized trends in the formation energies of perovskite oxides.

    PubMed

    Zeng, ZhenHua; Calle-Vallejo, Federico; Mogensen, Mogens B; Rossmeisl, Jan

    2013-05-28

    Generalized trends in the formation energies of several families of perovskite oxides (ABO3) and plausible explanations to their existence are provided in this study through a combination of DFT calculations, solid-state physics analyses and simple physical/chemical descriptors. The studied elements at the A site of perovskites comprise rare-earth, alkaline-earth and alkaline metals, whereas 3d and 5d metals were studied at the B site. We also include ReO3-type compounds, which have the same crystal structure of cubic ABO3 perovskites except without A-site elements. From the observations we extract the following four conclusions for the perovskites studied in the present paper: for a given cation at the B site, (I) perovskites with cations of identical oxidation state at the A site possess close formation energies; and (II) perovskites with cations of different oxidation states at the A site usually have quite different but ordered formation energies. On the other hand, for a given A-site cation, (III) the formation energies of perovskites vary linearly with respect to the atomic number of the elements at the B site within the same period of the periodic table, and the slopes depend systematically on the oxidation state of the A-site cation; and (IV) the trends in formation energies of perovskites with elements from different periods at the B site depend on the oxidation state of A-site cations. Since the energetics of perovskites is shown to be the superposition of the individual contributions of their constituent oxides, the trends can be rationalized in terms of A-O and B-O interactions in the ionic crystal. These findings reveal the existence of general systematic trends in the formation energies of perovskites and provide further insight into the role of ion-ion interactions in the properties of ternary compounds. PMID:23579382

  2. Structure of 18R shifted hexagonal perovskite La{sub 6}MgTi{sub 4}O{sub 18} revisited by neutron diffraction

    SciTech Connect

    Lu, Fengqi; Kuang, Xiaojun

    2015-01-15

    The structure of 18-layer shifted B-site deficient hexagonal perovskite La{sub 6}MgTi{sub 4}O{sub 18} compound has been re-examined by neutron powder diffraction. Structural analysis reveals that La{sub 6}MgTi{sub 4}O{sub 18} compound adopts a 18R octahedral-tilted structure with LaO{sub 3} layer stacking sequence of (hhcccc){sub 3} in space group R{sup {sup -}}3, in contrast with the previously proposed R3m. La{sub 6}MgTi{sub 4}O{sub 18} demonstrates partially ordered Mg cation distribution with a preference on the central octahedral sites over the outer octahedral sites in the cubic perovskite blocks isolated by the single vacant octahedral layers between the two consecutive hexagonal layers. The instability of the La{sub 6}MgTi{sub 4}O{sub 18} on alumina ceramic substrate at high temperature and its dependencies of cell parameters and permittivity were characterized as well. - Graphical abstract: 18-layer shifted hexagonal perovskite La{sub 6}MgTi{sub 4}O{sub 18} adopts octahedral-tilted structure in R{sup {sup -}}3 and demonstrates partially ordered Mg distribution in the cubic perovskite blocks isolated by the vacant octahedral layers. - Highlights: • Neutron diffraction reveals an octahedra-tilted structure in R{sup {sup -}}3 for La{sub 6}MgTi{sub 4}O{sub 18}. • Mg/Ti distribution in La{sub 6}MgTi{sub 4}O{sub 18} is partially ordered in the perovskite blocks. • Instability of La{sub 6}MgTi{sub 4}O{sub 18} on alumina ceramic at high temperature is demonstrated.

  3. Manifold gasket accommodating differential movement of fuel cell stack

    SciTech Connect

    Kelley, Dana A.; Farooque, Mohammad

    2007-11-13

    A gasket for use in a fuel cell system having at least one externally manifolded fuel cell stack, for sealing the manifold edge and the stack face. In accordance with the present invention, the gasket accommodates differential movement between the stack and manifold by promoting slippage at interfaces between the gasket and the dielectric and between the gasket and the stack face.

  4. Principles for Instructional Stack Development in HyperCard.

    ERIC Educational Resources Information Center

    McEneaney, John E.

    The purpose of this paper is to provide information about obtaining and using HyperCard stacks that introduce users to principles of stack development. The HyperCard stacks described are available for downloading free of charge from a server at Indiana University South Bend. Specific directions are given for stack use, with advice for beginners. A…

  5. Ferroelectricity in d0 double perovskite fluoroscandates

    NASA Astrophysics Data System (ADS)

    Charles, Nenian; Rondinelli, James M.

    2015-08-01

    Ferroelectricity in strain-free and strained double perovskite fluorides, Na3ScF6 and K2NaScF6 , is investigated using first-principles density functional theory. Although the experimental room temperature crystal structures of these fluoroscandates are centrosymmetric, i.e., Na3ScF6 (P 21/n ) and K2NaScF6 (F m 3 ¯m ), lattice dynamical calculations reveal that soft polar instabilities exist in each prototypical cubic phase and that the modes harden as the tolerance factor approaches unity. Thus the double fluoroperovskites bear some similarities to A B O3 perovskite oxides; however, in contrast, these fluorides exhibit large acentric displacements of alkali metal cations (Na, K) rather than polar displacements of the transition metal cations. Biaxial strain investigations of the centrosymmetric and polar Na3ScF6 and K2NaScF6 phases reveal that the paraelectric structures are favored under compressive strain, whereas polar structures with in-plane electric polarizations (˜5 -18 μ C cm-2 ) are realized at sufficiently large tensile strains. The electric polarization and stability of the polar structures for both chemistries are found to be further enhanced and stabilized by a coexisting single octahedral tilt system. Our results suggest that polar double perovskite fluorides may be realized by suppression of octahedral rotations about more than one Cartesian axis; structures exhibiting in- or out-of-phase octahedral rotations about the c axis are more susceptible to polar symmetries.

  6. Stacking of Interferometric Data: New Tools for Stacking of ALMA Data

    NASA Astrophysics Data System (ADS)

    Knudsen, K. K.; Lindroos, L.; Vlemmings, W.; Conway, J.; Martí-Vidal, I.

    2015-12-01

    Radio and mm observations play an important role in determining the star formation properties of high-redshift galaxies. With the unprecedented sensitivity, ALMA now enable studies of faint , distant star-forming galaxies. However, most galaxies with low star formation rates at high redshift are too faint to be detected individually at these wavelengths. A way to study such galaxies is to use stacking. By averaging the emission of a large number of galaxies detected in optical or near-infrared surveys, we can achieve statistical detection. We investigate methods for stacking data from interferometric surveys. Interferometry poses unique challenges in stacking due to the nature of this data. We have compared stacking of uv-data with stacking of imaged data, the latter being the commonly used approach. Using simulated data, we find that uv-stacking may provide up to 50% less noise and that image based stacking systematically loses around 10% of the flux. More importantly, we find that the uv-stacking yield more robust results, especially in the case of (marginally) resolved sources and mosaicked data.

  7. Interface Effects in Perovskite Thin Films

    NASA Astrophysics Data System (ADS)

    Lepetit, Marie-Bernadette; Mercey, Bernard; Simon, Charles

    2012-02-01

    The control of matter properties (transport, magnetic, dielectric,…) using synthesis as thin films is strongly hindered by the lack of reliable theories, able to guide the design of new systems, through the understanding of the interface effects and of the way the substrate constraints are imposed on the material. The present Letter analyzes the energetic contributions at the interfaces, and proposes a model describing the microscopic mechanisms governing the interactions at an epitaxial interface between a manganite and another transition metal oxide in perovskite structure (as for instance SrTiO3). The model is checked against experimental results and literature analysis.

  8. Electronic doping of transition metal oxide perovskites

    NASA Astrophysics Data System (ADS)

    Cammarata, Antonio; Rondinelli, James M.

    2016-05-01

    CaFeO3 is a prototypical negative charge transfer oxide that undergoes electronic metal-insulator transition concomitant with a dilation and contraction of nearly rigid octahedra. Altering the charge neutrality of the bulk system destroys the electronic transition, while the structure is significantly modified at high charge content. Using density functional theory simulations, we predict an alternative avenue to modulate the structure and the electronic transition in CaFeO3. Charge distribution can be modulated using strain-rotation coupling and thin film engineering strategies, proposing themselves as a promising avenue for fine tuning electronic features in transition metal-oxide perovskites.

  9. Piezoelectric activity in Perovskite ferroelectric crystals.

    PubMed

    Li, Fei; Wang, Linghang; Jin, Li; Lin, Dabin; Li, Jinglei; Li, Zhenrong; Xu, Zhuo; Zhang, Shujun

    2015-01-01

    Perovskite ferroelectrics (PFs) have been the dominant piezoelectric materials for various electromechanical applications, such as ultrasonic transducers, sensors, and actuators, to name a few. In this review article, the development of PF crystals is introduced, focusing on the crystal growth and piezoelectric activity. The critical factors responsible for the high piezoelectric activity of PFs (i.e., phase transition, monoclinic phase, domain size, relaxor component, dopants, and piezoelectric anisotropy) are surveyed and discussed. A general picture of the present understanding on the high piezoelectricity of PFs is described. At the end of this review, potential approaches to further improve the piezoelectricity of PFs are proposed. PMID:25585387

  10. The Photophysics of Perovskite Solar Cells

    NASA Astrophysics Data System (ADS)

    Sum, Tze-Chien

    2015-03-01

    Solution processed organic-inorganic lead halide perovskite solar cells, with power conversion efficiencies approaching 20%, are presently the forerunner amongst the next generation photovoltaic technologies. These remarkable performances can be attributed to their large absorption coefficients, long charge carrier diffusion lengths and low non-radiative recombination rates. In addition, these materials also possess excellent light emission and optical gain properties. In this talk, I will review the developmental milestones in this field and distil the recent findings on the photophysical mechanisms of this remarkable material. I will also highlight some of our latest charge dynamics studies and other investigations on the novel properties of this amazing material system.

  11. Contemporary sample stacking in analytical electrophoresis.

    PubMed

    Malá, Zdena; Šlampová, Andrea; Křivánková, Ludmila; Gebauer, Petr; Boček, Petr

    2015-01-01

    This contribution is a methodological review of the publications about the topic from the last 2 years. Therefore, it is primarily organized according to the methods and procedures used in surveyed papers and the origin and type of sample and specification of analytes form the secondary structure. The introductory part about navigation in the architecture of stacking brings a brief characterization of the various stacking methods, with the description of mutual links to each other and important differences among them. The main body of the article brings a survey of publications organized according to main principles of stacking and then according to the origin and type of the sample. Provided that the paper cited gave explicitly the relevant data, information about the BGE(s) used, procedure, detector employed, and reached LOD and/or concentration effect is given. The papers where the procedure used is a combination of diverse fragments and parts of various stacking techniques are mentioned in a special section on combined techniques. The concluding remarks in the final part of the review evaluate present state of art and the trends of sample stacking in CE. PMID:25113855

  12. A Late Pleistocene sea level stack

    NASA Astrophysics Data System (ADS)

    Spratt, Rachel M.; Lisiecki, Lorraine E.

    2016-04-01

    Late Pleistocene sea level has been reconstructed from ocean sediment core data using a wide variety of proxies and models. However, the accuracy of individual reconstructions is limited by measurement error, local variations in salinity and temperature, and assumptions particular to each technique. Here we present a sea level stack (average) which increases the signal-to-noise ratio of individual reconstructions. Specifically, we perform principal component analysis (PCA) on seven records from 0 to 430 ka and five records from 0 to 798 ka. The first principal component, which we use as the stack, describes ˜ 80 % of the variance in the data and is similar using either five or seven records. After scaling the stack based on Holocene and Last Glacial Maximum (LGM) sea level estimates, the stack agrees to within 5 m with isostatically adjusted coral sea level estimates for Marine Isotope Stages 5e and 11 (125 and 400 ka, respectively). Bootstrapping and random sampling yield mean uncertainty estimates of 9-12 m (1σ) for the scaled stack. Sea level change accounts for about 45 % of the total orbital-band variance in benthic δ18O, compared to a 65 % contribution during the LGM-to-Holocene transition. Additionally, the second and third principal components of our analyses reflect differences between proxy records associated with spatial variations in the δ18O of seawater.

  13. Technical description of Stack 296-B-5

    SciTech Connect

    Ridge, T.M.

    1994-11-15

    Of particular concern to facilities on the Hanford site is Title 40, Code of Federal Regulations, Chapter 40, Part 61, Subpart H, ``National emission Standards for Emissions of Radionuclides Other Than Radon From Department of Energy Facilities.`` Assessments of facility stacks and potential radionuclide emissions determined whether these stacks would be subject to the sampling and monitoring requirements of 40 CFR 61, Subpart H. Stack 296-B-5 exhausts 221-BB building which houses tanks containing B Plant steam condensate and B Plant process condensate from the operation of the low-level waste concentrator. The assessment of potential radionuclide emissions from the 296-B-5 stack resulted in an effective dose equivalent to the maximally exposed individual of less than 0.1 millirem per year. Therefore, the stack is not subject to the sampling and monitoring requirements of 40 CFR 61, Subpart H. However, the sampling and monitoring system must be in compliance with the Environmental Compliance Manual, WHC-CM-7-5. Currently, 296-B-5 is sampled continuously with a record sampler and continuous air monitor (CAM).

  14. Inflatable containment diaphragm for sealing and removing stacks

    DOEpatents

    Meskanick, Gerald R.; Rosso, David T.

    1993-01-01

    A diaphragm with an inflatable torus-shaped perimeter is used to seal at least one end of a stack so that debris that might be hazardous will not be released during removal of the stack. A diaphragm is inserted and inflated in the lower portion of a stack just above where the stack is to be cut such that the perimeter of the diaphragm expands and forms a seal against the interior surface of the stack.

  15. Inflatable containment diaphragm for sealing and removing stacks

    DOEpatents

    Meskanick, G.R.; Rosso, D.T.

    1993-04-13

    A diaphragm with an inflatable torus-shaped perimeter is used to seal at least one end of a stack so that debris that might be hazardous will not be released during removal of the stack. A diaphragm is inserted and inflated in the lower portion of a stack just above where the stack is to be cut such that the perimeter of the diaphragm expands and forms a seal against the interior surface of the stack.

  16. Deciphering Halogen Competition in Organometallic Halide Perovskite Growth

    DOE PAGESBeta

    Keum, Jong Kahk; Ovchinnikova, Olga S.; Chen, Shiyou; Du, Mao-Hua; Ivanov, Ilia N; Rouleau, Christopher; Geohegan, David B.; Xiao, Kai

    2016-03-01

    Organometallic halide perovskites (OHPs) hold great promise for next-generation, low-cost optoelectronic devices. During the chemical synthesis and crystallization of OHP thin films a major unresolved question is the competition between multiple halide species (e.g. I-, Cl-, Br-) in the formation of the mixed halide perovskite crystals. Whether Cl- ions are successfully incorporated into the perovskite crystal structure or alternatively, where they are located, is not yet fully understood. Here, in situ X-ray diffraction measurements of crystallization dynamics are combined with ex situ TOF-SIMS chemical analysis to reveal that Br- or Cl- ions can promote crystal growth, yet reactive I- ionsmore » prevent them from incorporating into the lattice of the final perovskite crystal structure. The Cl- ions are located in the grain boundaries of the perovskite films. These findings significantly advance our understanding of the role of halogens during synthesis of hybrid perovskites, and provide an insightful guidance to the engineering of high-quality perovskite films, essential for exploring superior-performance and cost-effective optoelectronic devices.« less

  17. Deciphering Halogen Competition in Organometallic Halide Perovskite Growth.

    PubMed

    Yang, Bin; Keum, Jong; Ovchinnikova, Olga S; Belianinov, Alex; Chen, Shiyou; Du, Mao-Hua; Ivanov, Ilia N; Rouleau, Christopher M; Geohegan, David B; Xiao, Kai

    2016-04-20

    Organometallic halide perovskites (OHPs) hold great promise for next-generation, low-cost optoelectronic devices. During the chemical synthesis and crystallization of OHP thin films, a major unresolved question is the competition between multiple halide species (e.g., I(-), Cl(-), Br(-)) in the formation of the mixed-halide perovskite crystals. Whether Cl(-) ions are successfully incorporated into the perovskite crystal structure or, alternatively, where they are located is not yet fully understood. Here, in situ X-ray diffraction measurements of crystallization dynamics are combined with ex situ TOF-SIMS chemical analysis to reveal that Br(-) or Cl(-) ions can promote crystal growth, yet reactive I(-) ions prevent them from incorporating into the lattice of the final perovskite crystal structure. The Cl(-) ions are located in the grain boundaries of the perovskite films. These findings significantly advance our understanding of the role of halogens during synthesis of hybrid perovskites and provide an insightful guidance to the engineering of high-quality perovskite films, essential for exploring superior-performing and cost-effective optoelectronic devices. PMID:26931634

  18. Modeling of optical losses in perovskite solar cells

    NASA Astrophysics Data System (ADS)

    Taghavi, M. Javad; Houshmand, Mohammad; Zandi, M. Hossein; Gorji, Nima E.

    2016-09-01

    The optical losses within the structure of hybrid perovskite solar cells are investigated using only the optical properties of each layer e.g. refractive index and extinction coefficient. This model allows calculating the transmission/reflection rates at the interfaces and absorption loss within any layer. Then, the short circuit current density and loss percentage are calculated versus the perovskite and TiO2 thicknesses from 50 nm to 150 nm. To make our calculations closer to reality, we extracted the optical properties of each device component from the literature reports on glass/TCO/TiO2/perovskite/metal. The simulations were fitted with the experimental results of some relevant references. Our simulations show that ITO transmits the light better than SnO2 as the TCO front electrode, and the light reflection at both sides of the perovskite layer, e.g. at TiO2/perovskite and perovskite/Spiro-OMeTAD, is lower than 25%. The light interference and multiple reflections have been accounted in our calculations and finally we showed that a thicker TiO2 and perovskite cause more optical loss in current density due to stronger absorption.

  19. Random lasing actions in self-assembled perovskite nanoparticles

    NASA Astrophysics Data System (ADS)

    Liu, Shuai; Sun, Wenzhao; Li, Jiankai; Gu, Zhiyuan; Wang, Kaiyang; Xiao, Shumin; Song, Qinghai

    2016-05-01

    Solution-based perovskite nanoparticles have been intensively studied in the past few years due to their applications in both photovoltaic and optoelectronic devices. Here, based on the common ground between solution-based perovskite and random lasers, we have studied the mirrorless lasing actions in self-assembled perovskite nanoparticles. After synthesis from a solution, discrete lasing peaks have been observed from optically pumped perovskites without any well-defined cavity boundaries. We have demonstrated that the origin of the random lasing emissions is the scattering between the nanostructures in the perovskite microplates. The obtained quality (Q) factors and thresholds of random lasers are around 500 and 60 μJ/cm2, respectively. Both values are comparable to the conventional perovskite microdisk lasers with polygon-shaped cavity boundaries. From the corresponding studies on laser spectra and fluorescence microscope images, the lasing actions are considered random lasers that are generated by strong multiple scattering in random gain media. In additional to conventional single-photon excitation, due to the strong nonlinear effects of perovskites, two-photon pumped random lasers have also been demonstrated for the first time. We believe this research will find its potential applications in low-cost coherent light sources and biomedical detection.

  20. Perovskite Materials for Light-Emitting Diodes and Lasers.

    PubMed

    Veldhuis, Sjoerd A; Boix, Pablo P; Yantara, Natalia; Li, Mingjie; Sum, Tze Chien; Mathews, Nripan; Mhaisalkar, Subodh G

    2016-08-01

    Organic-inorganic hybrid perovskites have cemented their position as an exceptional class of optoelectronic materials thanks to record photovoltaic efficiencies of 22.1%, as well as promising demonstrations of light-emitting diodes, lasers, and light-emitting transistors. Perovskite materials with photoluminescence quantum yields close to 100% and perovskite light-emitting diodes with external quantum efficiencies of 8% and current efficiencies of 43 cd A(-1) have been achieved. Although perovskite light-emitting devices are yet to become industrially relevant, in merely two years these devices have achieved the brightness and efficiencies that organic light-emitting diodes accomplished in two decades. Further advances will rely decisively on the multitude of compositional, structural variants that enable the formation of lower-dimensionality layered and three-dimensional perovskites, nanostructures, charge-transport materials, and device processing with architectural innovations. Here, the rapid advancements in perovskite light-emitting devices and lasers are reviewed. The key challenges in materials development, device fabrication, operational stability are addressed, and an outlook is presented that will address market viability of perovskite light-emitting devices. PMID:27214091

  1. Guanine base stacking in G-quadruplex nucleic acids.

    PubMed

    Lech, Christopher Jacques; Heddi, Brahim; Phan, Anh Tuân

    2013-02-01

    G-quadruplexes constitute a class of nucleic acid structures defined by stacked guanine tetrads (or G-tetrads) with guanine bases from neighboring tetrads stacking with one another within the G-tetrad core. Individual G-quadruplexes can also stack with one another at their G-tetrad interface leading to higher-order structures as observed in telomeric repeat-containing DNA and RNA. In this study, we investigate how guanine base stacking influences the stability of G-quadruplexes and their stacked higher-order structures. A structural survey of the Protein Data Bank is conducted to characterize experimentally observed guanine base stacking geometries within the core of G-quadruplexes and at the interface between stacked G-quadruplex structures. We couple this survey with a systematic computational examination of stacked G-tetrad energy landscapes using quantum mechanical computations. Energy calculations of stacked G-tetrads reveal large energy differences of up to 12 kcal/mol between experimentally observed geometries at the interface of stacked G-quadruplexes. Energy landscapes are also computed using an AMBER molecular mechanics description of stacking energy and are shown to agree quite well with quantum mechanical calculated landscapes. Molecular dynamics simulations provide a structural explanation for the experimentally observed preference of parallel G-quadruplexes to stack in a 5'-5' manner based on different accessible tetrad stacking modes at the stacking interfaces of 5'-5' and 3'-3' stacked G-quadruplexes. PMID:23268444

  2. TESTING FOR CPT VIOLATION IN Bstack">0stack">s SEMILEPTONIC DECAYS

    NASA Astrophysics Data System (ADS)

    Kooten, R. Van

    2014-01-01

    A DØ analysis measuring the charge asymmetry Astack">bstack">sl of like-sign dimuon events due to semileptonic b-hadron decays at the Fermilab Tevatron Collider has shown indications of possible anomalous CP violation in the mixing of neutral B mesons. This result has been used to extract the first senstivity to CPT violation in the Bstack">0stack">s system. An analysis to explore further this anomaly by specifically measuring the semileptonic charge asymmetry, astack">sstack">sl, in Bstack">0stack">s decays is described, as well as how a variant of this analysis can be used to explore a larger set of CPT-violating parameters in the Bstack">0stack">s system for the first time.

  3. Effects of Polytypism on Optical Properties and Band Structure of Individual Ga(N)P Nanowires from Correlative Spatially Resolved Structural and Optical Studies.

    PubMed

    Dobrovolsky, Alexander; Persson, Per O Å; Sukrittanon, Supanee; Kuang, Yanjin; Tu, Charles W; Chen, Weimin M; Buyanova, Irina A

    2015-06-10

    III-V semiconductor nanowires (NWs) have gained significant interest as building blocks in novel nanoscale devices. The one-dimensional (1D) nanostructure architecture allows one to extend band structure engineering beyond quantum confinement effects by utilizing formation of different crystal phases that are thermodynamically unfavorable in bulk materials. It is therefore of crucial importance to understand the influence of variations in the NWs crystal structure on their fundamental physical properties. In this work we investigate effects of structural polytypism on the optical properties of gallium phosphide and GaP/GaNP core/shell NW structures by a correlative investigation on the structural and optical properties of individual NWs. The former is monitored by transmission electron microscopy, whereas the latter is studied via cathodoluminescence (CL) mapping. It is found that structural defects, such as rotational twins in zinc blende (ZB) GaNP, have detrimental effects on light emission intensity at low temperatures by promoting nonradiative recombination processes. On the other hand, formation of the wurtzite (WZ) phase does not notably affect the CL intensity neither in GaP nor in the GaNP alloy. This suggests that zone folding in WZ GaP does not enhance its radiative efficiency, consistent with theoretical predictions. We also show that the change in the lattice structure have negligible effects on the bandgap energies of the GaNP alloys, at least within the range of the investigated nitrogen compositions of <2%. Both WZ and ZB GaNP are found to have a significantly higher efficiency of radiative recombination as compared with that in parental GaP, promising for potential applications of GaNP NWs as efficient nanoscale light emitters within the desirable amber-red spectral range. PMID:25988267

  4. Progress of MCFC stack technology at Toshiba

    SciTech Connect

    Hori, M.; Hayashi, T.; Shimizu, Y.

    1996-12-31

    Toshiba is working on the development of MCFC stack technology; improvement of cell characteristics, and establishment of separator technology. For the cell technology, Toshiba has concentrated on both the restraints of NiO cathode dissolution and electrolyte loss from cells, which are the critical issues to extend cell life in MCFC, and great progress has been made. On the other hand, recognizing that the separator is one of key elements in accomplishing reliable and cost-competitive MCFC stacks, Toshiba has been accelerating the technology establishment and verification of an advanced type separator. A sub-scale stack with such a separator was provided for an electric generating test, and has been operated for more than 10,000 hours. This paper presents several topics obtained through the technical activities in the MCFC field at Toshiba.

  5. Intelligent Control System of Stack-boiler

    NASA Astrophysics Data System (ADS)

    Jing, Li; Jingxia, Niu; Jianhua, Lang; Shaofeng, Li; Zhi, Li

    Boiler combustion control system's basic task is to make fuel burn calories adapt to the needs of the water temperature and ensure the economical combustion and the safe operation. In the foundations which have analyzed the stack-boiler's work process and control system structure, the system designed by using the self-learning and self-optimizing fuzzy control system of the PC to make air/coal ratio achieve the best and realize the optimized combustion; through PLC to accelerate the speed of response to the boiler, and speed up the PC to optimize the speed and realize the double loop control system for stack-boiler. The control system in premise of the stack-boiler reaches the goal of the load to achieve the highest efficiency of the boiler combustion.

  6. Radiation Tolerant Intelligent Memory Stack (RTIMS)

    NASA Technical Reports Server (NTRS)

    Ng, Tak-kwong; Herath, Jeffrey A.

    2006-01-01

    The Radiation Tolerant Intelligent Memory Stack (RTIMS), suitable for both geostationary and low earth orbit missions, has been developed. The memory module is fully functional and undergoing environmental and radiation characterization. A self-contained flight-like module is expected to be completed in 2006. RTIMS provides reconfigurable circuitry and 2 gigabits of error corrected or 1 gigabit of triple redundant digital memory in a small package. RTIMS utilizes circuit stacking of heterogeneous components and radiation shielding technologies. A reprogrammable field programmable gate array (FPGA), six synchronous dynamic random access memories, linear regulator, and the radiation mitigation circuitries are stacked into a module of 42.7mm x 42.7mm x 13.00mm. Triple module redundancy, current limiting, configuration scrubbing, and single event function interrupt detection are employed to mitigate radiation effects. The mitigation techniques significantly simplify system design. RTIMS is well suited for deployment in real-time data processing, reconfigurable computing, and memory intensive applications.

  7. Fuel cell stack monitoring and system control

    DOEpatents

    Keskula, Donald H.; Doan, Tien M.; Clingerman, Bruce J.

    2005-01-25

    A control method for monitoring a fuel cell stack in a fuel cell system in which the actual voltage and actual current from the fuel cell stack are monitored. A preestablished relationship between voltage and current over the operating range of the fuel cell is established. A variance value between the actual measured voltage and the expected voltage magnitude for a given actual measured current is calculated and compared with a predetermined allowable variance. An output is generated if the calculated variance value exceeds the predetermined variance. The predetermined voltage-current for the fuel cell is symbolized as a polarization curve at given operating conditions of the fuel cell. Other polarization curves may be generated and used for fuel cell stack monitoring based on different operating pressures, temperatures, hydrogen quantities.

  8. NREL Studies Carrier Separation and Transport in Perovskite Solar Cells

    SciTech Connect

    2016-01-01

    NREL scientists studied charge separation and transport in perovskite solar cells by determining the junction structure across the solar device using the nanoelectrical characterization technique of Kelvin probe force microscopy. The distribution of electrical potential across both planar and porous devices demonstrates a p-n junction structure at the interface between titanium dioxide and perovskite. In addition, minority-carrier transport within the devices operates under diffusion/drift. Clarifying the fundamental junction structure provides significant guidance for future research and development. This NREL study points to the fact that improving carrier mobility is a critical factor for continued efficiency gains in perovskite solar cells.

  9. Color considerations in fluorescent solar concentrator stacks.

    PubMed

    Swift, Paul D; Smith, Geoff B

    2003-09-01

    We present modeled results of the luminous and color outputs of a three-layer stack of fluorescent planar concentrators (FPCs). FPCs have the potential to provide sufficient luminous output to illuminate moderate-sized rooms for reasonably-sized collecting areas. It is of course necessary not only that the lumens be sufficient, but also that the light be sufficiently white as to be comfortable. Modeling shows that by use of a stack of three FPCs, one each of violet, green, and red, it is possible to achieve good color rendering and sufficient lighting levels for room illumination. PMID:12962389

  10. Nonlinearly stacked low noise turbofan stator

    NASA Technical Reports Server (NTRS)

    Schuster, William B. (Inventor); Kontos, Karen B. (Inventor); Weir, Donald S. (Inventor); Nolcheff, Nick A. (Inventor); Gunaraj, John A. (Inventor)

    2009-01-01

    A nonlinearly stacked low noise turbofan stator vane having a characteristic curve that is characterized by a nonlinear sweep and a nonlinear lean is provided. The stator is in an axial fan or compressor turbomachinery stage that is comprised of a collection of vanes whose highly three-dimensional shape is selected to reduce rotor-stator and rotor-strut interaction noise while maintaining the aerodynamic and mechanical performance of the vane. The nonlinearly stacked low noise turbofan stator vane reduces noise associated with the fan stage of turbomachinery to improve environmental compatibility.

  11. Fuel cell stack monitoring and system control

    DOEpatents

    Keskula, Donald H.; Doan, Tien M.; Clingerman, Bruce J.

    2004-02-17

    A control method for monitoring a fuel cell stack in a fuel cell system in which the actual voltage and actual current from the fuel cell stack are monitored. A preestablished relationship between voltage and current over the operating range of the fuel cell is established. A variance value between the actual measured voltage and the expected voltage magnitude for a given actual measured current is calculated and compared with a predetermined allowable variance. An output is generated if the calculated variance value exceeds the predetermined variance. The predetermined voltage-current for the fuel cell is symbolized as a polarization curve at given operating conditions of the fuel cell.

  12. Three wafer stacking for 3D integration.

    SciTech Connect

    Greth, K. Douglas; Ford, Christine L.; Lantz, Jeffrey W.; Shinde, Subhash L.; Timon, Robert P.; Bauer, Todd M.; Hetherington, Dale Laird; Sanchez, Carlos Anthony

    2011-11-01

    Vertical wafer stacking will enable a wide variety of new system architectures by enabling the integration of dissimilar technologies in one small form factor package. With this LDRD, we explored the combination of processes and integration techniques required to achieve stacking of three or more layers. The specific topics that we investigated include design and layout of a reticle set for use as a process development vehicle, through silicon via formation, bonding media, wafer thinning, dielectric deposition for via isolation on the wafer backside, and pad formation.

  13. Finding new perovskite halides via machine learning

    DOE PAGESBeta

    Pilania, Ghanshyam; Balachandran, Prasanna V.; Kim, Chiho; Lookman, Turab

    2016-04-26

    Advanced materials with improved properties have the potential to fuel future technological advancements. However, identification and discovery of these optimal materials for a specific application is a non-trivial task, because of the vastness of the chemical search space with enormous compositional and configurational degrees of freedom. Materials informatics provides an efficient approach toward rational design of new materials, via learning from known data to make decisions on new and previously unexplored compounds in an accelerated manner. Here, we demonstrate the power and utility of such statistical learning (or machine learning, henceforth referred to as ML) via building a support vectormore » machine (SVM) based classifier that uses elemental features (or descriptors) to predict the formability of a given ABX3 halide composition (where A and B represent monovalent and divalent cations, respectively, and X is F, Cl, Br, or I anion) in the perovskite crystal structure. The classification model is built by learning from a dataset of 185 experimentally known ABX3 compounds. After exploring a wide range of features, we identify ionic radii, tolerance factor, and octahedral factor to be the most important factors for the classification, suggesting that steric and geometric packing effects govern the stability of these halides. As a result, the trained and validated models then predict, with a high degree of confidence, several novel ABX3 compositions with perovskite crystal structure.« less

  14. Perovskite oxides: Oxygen electrocatalysis and bulk structure

    NASA Technical Reports Server (NTRS)

    Carbonio, R. E.; Fierro, C.; Tryk, D.; Scherson, D.; Yeager, Ernest

    1987-01-01

    Perovskite type oxides were considered for use as oxygen reduction and generation electrocatalysts in alkaline electrolytes. Perovskite stability and electrocatalytic activity are studied along with possible relationships of the latter with the bulk solid state properties. A series of compounds of the type LaFe(x)Ni1(-x)O3 was used as a model system to gain information on the possible relationships between surface catalytic activity and bulk structure. Hydrogen peroxide decomposition rate constants were measured for these compounds. Ex situ Mossbauer effect spectroscopy (MES), and magnetic susceptibility measurements were used to study the solid state properties. X ray photoelectron spectroscopy (XPS) was used to examine the surface. MES has indicated the presence of a paramagnetic to magnetically ordered phase transition for values of x between 0.4 and 0.5. A correlation was found between the values of the MES isomer shift and the catalytic activity for peroxide decomposition. Thus, the catalytic activity can be correlated to the d-electron density for the transition metal cations.

  15. Finding New Perovskite Halides via Machine learning

    NASA Astrophysics Data System (ADS)

    Pilania, Ghanshyam; Balachandran, Prasanna V.; Kim, Chiho; Lookman, Turab

    2016-04-01

    Advanced materials with improved properties have the potential to fuel future technological advancements. However, identification and discovery of these optimal materials for a specific application is a non-trivial task, because of the vastness of the chemical search space with enormous compositional and configurational degrees of freedom. Materials informatics provides an efficient approach towards rational design of new materials, via learning from known data to make decisions on new and previously unexplored compounds in an accelerated manner. Here, we demonstrate the power and utility of such statistical learning (or machine learning) via building a support vector machine (SVM) based classifier that uses elemental features (or descriptors) to predict the formability of a given ABX3 halide composition (where A and B represent monovalent and divalent cations, respectively, and X is F, Cl, Br or I anion) in the perovskite crystal structure. The classification model is built by learning from a dataset of 181 experimentally known ABX3 compounds. After exploring a wide range of features, we identify ionic radii, tolerance factor and octahedral factor to be the most important factors for the classification, suggesting that steric and geometric packing effects govern the stability of these halides. The trained and validated models then predict, with a high degree of confidence, several novel ABX3 compositions with perovskite crystal structure.

  16. Neutral color semitransparent microstructured perovskite solar cells.

    PubMed

    Eperon, Giles E; Burlakov, Victor M; Goriely, Alain; Snaith, Henry J

    2014-01-28

    Neutral-colored semitransparent solar cells are commercially desired to integrate solar cells into the windows and cladding of buildings and automotive applications. Here, we report the use of morphological control of perovskite thin films to form semitransparent planar heterojunction solar cells with neutral color and comparatively high efficiencies. We take advantage of spontaneous dewetting to create microstructured arrays of perovskite "islands", on a length-scale small enough to appear continuous to the eye yet large enough to enable unattenuated transmission of light between the islands. The islands are thick enough to absorb most visible light, and the combination of completely absorbing and completely transparent regions results in neutral transmission of light. Using these films, we fabricate thin-film solar cells with respectable power conversion efficiencies. Remarkably, we find that such discontinuous films still have good rectification behavior and relatively high open-circuit voltages due to the inherent rectification between the n- and p-type charge collection layers. Furthermore, we demonstrate the ease of "color-tinting" such microstructured perovksite solar cells with no reduction in performance, by incorporation of a dye within the hole transport medium. PMID:24467381

  17. Pressure induced iron spin state changes in MgGeO3 Perovskite and Post-perovskite

    NASA Astrophysics Data System (ADS)

    Sarkar, Kanchan; Shukla, Gaurav; Topsakal, Mehmet; Wentzcovitch, Renata

    2015-03-01

    MgGeO3-perovskite is a low pressure analog of MgSiO3-perovskite, the main Earth forming phase, and is used to shed light on several phenomena that occur in MgSiO3, particularly the post-perovskite transition. As such, experimental investigations of spin state changes in Fe-bearing MgGeO3 might help to clarify some aspects of this phenomenon in MgSiO3. Using DFT+U calculations, we have investigated pressure induced spin state changes in Fe2+ and Fe3+ in MgGeO3 perovskite and post-perovskite and their effect on the post-perovskite transition. We uncover a direct relationship between average Fe-O bond-lengths and spin transition pressures in all cases. The effect of iron on the post-perovskite transitions in these phases can also be related to the average Fe-O bond lengths. Research supported by NSF/EAR and NSF/CAREER.

  18. MREI-model calculations of optical phonons in layered mixed crystals of 2H-polytype of the series SnS 2-xSe x (0⩽ x⩽2)

    NASA Astrophysics Data System (ADS)

    Chanchal; Garg, A. K.

    2006-09-01

    Optical phonon frequencies have been calculated for 2H-polytype of layered mixed crystals in the series SnS 2-xSe x (0⩽ x⩽2), using MREI-model. The model was modified to make it applicable in this type of series. Various force constants and the values of local and gap modes have been reported. The model successfully confirms the two-mode behavior exhibited by the series and the calculated values agree very well with experimentally observed values, reported earlier.

  19. Modified Peierls-Nabarro dislocation equation for < {{110}} rangle {{ 1bar{1}0} } dissociated superdislocations in perovskite CaSiO3

    NASA Astrophysics Data System (ADS)

    Li, ShaoRong; Wu, XiaoZhi; Zhang, Tao; Tian, YuXian; Yan, ZhengXin; Zhu, HuaZe

    2016-06-01

    In the paper, we investigate the core width of superpartials and dissociated width of the <110>{1-10} superdislocations in CaSiO3 perovskite under pressures of 30 and 100 GPa by using the modified P-N dislocation equation. Our results show that when taking into account the discrete effect correction, core width of superpartials and dissociated width become much wider, and both of them increase significantly with the increase of the superdislocation angle. Furthermore, it is found that the dissociated width and core width of superpartials are determined by value of the unstable stacking fault energy and antiphase boundary energy, which are independent of the position of unstable stacking energy. Interestingly, the Peierls stress of superpartials can be predicted by using the variational method to solve the modified P-N dislocation equation.

  20. Perovskite Solar Cells: High Efficiency Pb-In Binary Metal Perovskite Solar Cells (Adv. Mater. 31/2016).

    PubMed

    Wang, Zhao-Kui; Li, Meng; Yang, Ying-Guo; Hu, Yun; Ma, Heng; Gao, Xing-Yu; Liao, Liang-Sheng

    2016-08-01

    On page 6695, X. Y. Gao, L.-S. Liao, and co-workers describe the fabrication of mixed Pb-In perovskite solar cells, using indium (III) chloride and lead (II) chloride with methylammonium iodide. A maximum power conversion efficiency as high as 17.55% is achieved owing to the high quality of the perovskites with multiple ordered crystal orientations. This work demonstrates the possibility of substituting the Pb (II) by using In (III), which opens a broad route to fabricating alloy perovskite solar cells with mitigated ecological impact. PMID:27511533

  1. SRS reactor stack plume marking tests

    SciTech Connect

    Petry, S.F.

    1992-03-01

    Tests performed in 105-K in 1987 and 1988 demonstrated that the stack plume can successfully be made visible (i.e., marked) by introducing smoke into the stack breech. The ultimate objective of these tests is to provide a means during an emergency evacuation so that an evacuee can readily identify the stack plume and evacuate in the opposite direction, thus minimizing the potential of severe radiation exposure. The EPA has also requested DOE to arrange for more tests to settle a technical question involving the correct calculation of stack downwash. New test canisters were received in 1988 designed to produce more smoke per unit time; however, these canisters have not been evaluated, because normal ventilation conditions have not been reestablished in K Area. Meanwhile, both the authorization and procedure to conduct the tests have expired. The tests can be performed during normal reactor operation. It is recommended that appropriate authorization and procedure approval be obtained to resume testing after K Area restart.

  2. 40 CFR 61.53 - Stack sampling.

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... EMISSION STANDARDS FOR HAZARDOUS AIR POLLUTANTS National Emission Standard for Mercury § 61.53 Stack sampling. (a) Mercury ore processing facility. (1) Unless a waiver of emission testing is obtained under § 61.13, each owner or operator processing mercury ore shall test emissions from the source...

  3. 40 CFR 61.53 - Stack sampling.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... EMISSION STANDARDS FOR HAZARDOUS AIR POLLUTANTS National Emission Standard for Mercury § 61.53 Stack sampling. (a) Mercury ore processing facility. (1) Unless a waiver of emission testing is obtained under § 61.13, each owner or operator processing mercury ore shall test emissions from the source...

  4. 40 CFR 61.53 - Stack sampling.

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... EMISSION STANDARDS FOR HAZARDOUS AIR POLLUTANTS National Emission Standard for Mercury § 61.53 Stack sampling. (a) Mercury ore processing facility. (1) Unless a waiver of emission testing is obtained under § 61.13, each owner or operator processing mercury ore shall test emissions from the source...

  5. 40 CFR 61.53 - Stack sampling.

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... EMISSION STANDARDS FOR HAZARDOUS AIR POLLUTANTS National Emission Standard for Mercury § 61.53 Stack sampling. (a) Mercury ore processing facility. (1) Unless a waiver of emission testing is obtained under § 61.13, each owner or operator processing mercury ore shall test emissions from the source...

  6. Stack Gas Scrubber Makes the Grade

    ERIC Educational Resources Information Center

    Chemical and Engineering News, 1975

    1975-01-01

    Describes a year long test of successful sulfur dioxide removal from stack gas with a calcium oxide slurry. Sludge disposal problems are discussed. Cost is estimated at 0.6 mill per kwh not including sludge removal. A flow diagram and equations are included. (GH)

  7. 49 CFR 178.606 - Stacking test.

    Code of Federal Regulations, 2014 CFR

    2014-10-01

    ... calculated based on the specific gravity that will be marked on the packaging. The minimum height of the... between the platens at this time must be recorded as zero deformation. The force A to then be applied must... number of containers that, when stacked, reach a height of 3 meters. s = specific gravity of lading....

  8. 49 CFR 178.606 - Stacking test.

    Code of Federal Regulations, 2012 CFR

    2012-10-01

    ... calculated based on the specific gravity that will be marked on the packaging. The minimum height of the... between the platens at this time must be recorded as zero deformation. The force A to then be applied must... number of containers that, when stacked, reach a height of 3 meters. s = specific gravity of lading....

  9. Venturis as silencers in a BOF stack

    SciTech Connect

    Kelsall, T.; Gerritsen, T.; Landon, T.

    1995-06-01

    Installation of a venture in a BOF stack reduced the sound level in a local community by 10 to 15 db. This application resulted in the development of a new type of fan silencer, called the modal silencer, having the inherent advantages of low pressure drop and less maintenance compared with conventional types.

  10. Revisiting Stacking Fault Energy of Steels

    NASA Astrophysics Data System (ADS)

    Das, Arpan

    2016-02-01

    The stacking fault energy plays an important role in the transition of deformation microstructure. This energy is strongly dependent on the concentration of alloying elements and the temperature under which the alloy is exposed. Extensive literature review has been carried out and investigated that there are inconsistencies in findings on the influence of alloying elements on stacking fault energy. This may be attributed to the differences in chemical compositions, inaccuracy in measurements, and the methodology applied for evaluating the stacking fault energy. In the present research, a Bayesian neural network model is created to correlate the complex relationship between the extent of stacking fault energy with its influencing parameters in different austenitic grade steels. The model has been applied to confirm that the predictions are reasonable in the context of metallurgical principles and other data published in the open literature. In addition, it has been possible to estimate the isolated influence of particular variables such as nickel concentration, which exactly cannot in practice be varied independently. This demonstrates the ability of the method to investigate a new phenomenon in cases where the information cannot be accessed experimentally.

  11. 40 CFR 61.53 - Stack sampling.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... EMISSION STANDARDS FOR HAZARDOUS AIR POLLUTANTS National Emission Standard for Mercury § 61.53 Stack sampling. (a) Mercury ore processing facility. (1) Unless a waiver of emission testing is obtained under § 61.13, each owner or operator processing mercury ore shall test emissions from the source...

  12. 49 CFR 178.606 - Stacking test.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... Testing of Non-bulk Packagings and Packages § 178.606 Stacking test. (a) General. All packaging design... samples are required for each different packaging. For periodic retesting of packagings constructed of... invalidate the results of the test. (c) Test method—(1) Design qualification testing. The test sample must...

  13. Explosive demolition of K East Reactor Stack

    SciTech Connect

    2010-07-26

    Using $420,000 in Recovery Act funds, the Department of Energy and contractor CH2M HILL Plateau Remediation Company topped off four months of preparations when they safely demolished the exhaust stack at the K East Reactor and equipment inside the reactor building on July 23, 2010.

  14. 49 CFR 178.980 - Stacking test.

    Code of Federal Regulations, 2012 CFR

    2012-10-01

    .... (3) Rigid plastic Large Packagings which bear the stacking load must be subjected to the test for 28.... w = maximum weight of one empty container in pounds. s = specific gravity (liquids) or density... passing the test. (1) For metal or rigid plastic Large Packagings, there may be no permanent...

  15. Removing Sulphur Dioxide From Stack Gases

    ERIC Educational Resources Information Center

    Slack, A. V.

    1973-01-01

    Process types, process concepts, claims and counterclaims, cost factors, and the level of developed technology for sulfur dioxide control in stack gases are focused upon and evaluated. Wet and dry processes as well as recovery and throwaway processes are compared. (BL)

  16. 49 CFR 178.1055 - Stacking test.

    Code of Federal Regulations, 2014 CFR

    2014-10-01

    ... ADMINISTRATION, DEPARTMENT OF TRANSPORTATION (CONTINUED) SPECIFICATIONS FOR PACKAGINGS Testing of Flexible Bulk... of all Flexible Bulk Containers design types. (b) Special preparation for the stacking test. All Flexible Bulk Containers design types must be loaded to their maximum permissible gross mass. (c)...

  17. Average Transmission Probability of a Random Stack

    ERIC Educational Resources Information Center

    Lu, Yin; Miniatura, Christian; Englert, Berthold-Georg

    2010-01-01

    The transmission through a stack of identical slabs that are separated by gaps with random widths is usually treated by calculating the average of the logarithm of the transmission probability. We show how to calculate the average of the transmission probability itself with the aid of a recurrence relation and derive analytical upper and lower…

  18. 30 CFR 77.302 - Bypass stacks.

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... 30 Mineral Resources 1 2013-07-01 2013-07-01 false Bypass stacks. 77.302 Section 77.302 Mineral Resources MINE SAFETY AND HEALTH ADMINISTRATION, DEPARTMENT OF LABOR COAL MINE SAFETY AND HEALTH MANDATORY SAFETY STANDARDS, SURFACE COAL MINES AND SURFACE WORK AREAS OF UNDERGROUND COAL MINES Thermal Dryers §...

  19. 30 CFR 77.302 - Bypass stacks.

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... 30 Mineral Resources 1 2012-07-01 2012-07-01 false Bypass stacks. 77.302 Section 77.302 Mineral Resources MINE SAFETY AND HEALTH ADMINISTRATION, DEPARTMENT OF LABOR COAL MINE SAFETY AND HEALTH MANDATORY SAFETY STANDARDS, SURFACE COAL MINES AND SURFACE WORK AREAS OF UNDERGROUND COAL MINES Thermal Dryers §...

  20. 30 CFR 77.302 - Bypass stacks.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 30 Mineral Resources 1 2010-07-01 2010-07-01 false Bypass stacks. 77.302 Section 77.302 Mineral Resources MINE SAFETY AND HEALTH ADMINISTRATION, DEPARTMENT OF LABOR COAL MINE SAFETY AND HEALTH MANDATORY SAFETY STANDARDS, SURFACE COAL MINES AND SURFACE WORK AREAS OF UNDERGROUND COAL MINES Thermal Dryers §...

  1. 30 CFR 77.302 - Bypass stacks.

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... 30 Mineral Resources 1 2014-07-01 2014-07-01 false Bypass stacks. 77.302 Section 77.302 Mineral Resources MINE SAFETY AND HEALTH ADMINISTRATION, DEPARTMENT OF LABOR COAL MINE SAFETY AND HEALTH MANDATORY SAFETY STANDARDS, SURFACE COAL MINES AND SURFACE WORK AREAS OF UNDERGROUND COAL MINES Thermal Dryers §...

  2. 30 CFR 77.302 - Bypass stacks.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... 30 Mineral Resources 1 2011-07-01 2011-07-01 false Bypass stacks. 77.302 Section 77.302 Mineral Resources MINE SAFETY AND HEALTH ADMINISTRATION, DEPARTMENT OF LABOR COAL MINE SAFETY AND HEALTH MANDATORY SAFETY STANDARDS, SURFACE COAL MINES AND SURFACE WORK AREAS OF UNDERGROUND COAL MINES Thermal Dryers §...

  3. Explosive demolition of K East Reactor Stack

    ScienceCinema

    None

    2010-09-02

    Using $420,000 in Recovery Act funds, the Department of Energy and contractor CH2M HILL Plateau Remediation Company topped off four months of preparations when they safely demolished the exhaust stack at the K East Reactor and equipment inside the reactor building on July 23, 2010.

  4. Stacks in canonical RNA pseudoknot structures.

    PubMed

    Han, Hillary S W; Reidys, Christian M

    2009-05-01

    In this paper we study the distribution of stacks/loops in k-non-crossing, tau-canonical RNA pseudoknot structures (k,tau-structures). Here, an RNA structure is called k-non-crossing if it has no more than k-1 mutually crossing arcs and tau-canonical if each arc is contained in a stack of length at least tau. Based on the ordinary generating function of k,tau-structures [G. Ma, C.M. Reidys, Canonical RNA pseudoknot structures, J. Comput. Biol. 15 (10) (2008) 1257] we derive the bivariate generating function T(k, tau)(x, u) = Sigma(n>or=0)Sigma(0stacks and study its singularities. We show that for a specific parametrization of the variable u, T(k, tau)(x, u) exhibits a unique, dominant singularity. The particular shift of this singularity parametrized by u implies a central limit theorem for the distribution of stack-numbers. Our results are of importance for understanding the 'language' of minimum-free energy RNA pseudoknot structures, generated by computer folding algorithms. PMID:19402214

  5. Stacking fault and twinning in nanocrystalline metals.

    SciTech Connect

    Liao, Xiaozhou; Zhao, Y.; Srivilliputhur, S. G.; Zhou, F.; Lavernia, E. J.; Baskes, M. I.; Zhu, Y. T.; Xu, H. F.

    2004-01-01

    Nanocrystalline Al processed by cryogenic ball-milling and nanocrystalline Cu processed by high-pressure torsion at a very low strain rate and at room temperature were investigated using high-resolution transmission electron microscopy. For nanocrystalline Al, we observed partial dislocation emission from grain boundaries, which consequently resulted in deformation stacking faults and twinning. We also observed deformation twins formed via two other mechanisms recently predicted by molecular dynamic simulations. These results are surprising because (1) partial dislocation emission from grain boundaries has not been experimentally observed although it has been predicted by simulations and (2) deformation stacking faults and twinning have not been reported in Al due to its high stacking fault energy. For nanocrystalline Cu, we found that twinning becomes a major deformation mechanism, which contrasts with the literature reports that deformation twinning in coarse-grained Cu occurs only under high strain rate and/or low temperature conditions and that reducing grain sizes suppresses deformation twinning. The investigation of the twinning morphology suggests that twins and stacking faults in nanocrystalline Cu were formed through partial dislocation emissions from grain boundaries. This mechanism differs from the pole mechanism operating in coarse-grained Cu.

  6. Highly Tunable Colloidal Perovskite Nanoplatelets through Variable Cation, Metal, and Halide Composition.

    PubMed

    Weidman, Mark C; Seitz, Michael; Stranks, Samuel D; Tisdale, William A

    2016-08-23

    Colloidal perovskite nanoplatelets are a promising class of semiconductor nanomaterials-exhibiting bright luminescence, tunable and spectrally narrow absorption and emission features, strongly confined excitonic states, and facile colloidal synthesis. Here, we demonstrate the high degree of spectral tunability achievable through variation of the cation, metal, and halide composition as well as nanoplatelet thickness. We synthesize nanoplatelets of the form L2[ABX3]n-1BX4, where L is an organic ligand (octylammonium, butylammonium), A is a monovalent metal or organic molecular cation (cesium, methylammonium, formamidinium), B is a divalent metal cation (lead, tin), X is a halide anion (chloride, bromide, iodide), and n-1 is the number of unit cells in thickness. We show that variation of n, B, and X leads to large changes in the absorption and emission energy, while variation of the A cation leads to only subtle changes but can significantly impact the nanoplatelet stability and photoluminescence quantum yield (with values over 20%). Furthermore, mixed halide nanoplatelets exhibit continuous spectral tunability over a 1.5 eV spectral range, from 2.2 to 3.7 eV. The nanoplatelets have relatively large lateral dimensions (100 nm to 1 μm), which promote self-assembly into stacked superlattice structures-the periodicity of which can be adjusted based on the nanoplatelet surface ligand length. These results demonstrate the versatility of colloidal perovskite nanoplatelets as a material platform, with tunability extending from the deep-UV, across the visible, into the near-IR. In particular, the tin-containing nanoplatelets represent a significant addition to the small but increasingly important family of lead- and cadmium-free colloidal semiconductors. PMID:27471862

  7. Perovskite as light harvester: a game changer in photovoltaics.

    PubMed

    Kazim, Samrana; Nazeeruddin, Mohammad Khaja; Grätzel, Michael; Ahmad, Shahzada

    2014-03-10

    It is not often that the scientific community is blessed with a material, which brings enormous hopes and receives special attention. When it does, it expands at a rapid pace and its every dimension creates curiosity. One such material is perovskite, which has triggered the development of new device architectures in energy conversion. Perovskites are of great interest in photovoltaic devices due to their panchromatic light absorption and ambipolar behavior. Power conversion efficiencies have been doubled in less than a year and over 15% is being now measured in labs. Every digit increment in efficiency is being celebrated widely in the scientific community and is being discussed in industry. Here we provide a summary on the use of perovskite for inexpensive solar cells fabrication. It will not be unrealistic to speculate that one day perovskite-based solar cells can match the capability and capacity of existing technologies. PMID:24519832

  8. Recent advances of lanthanum-based perovskite oxides for catalysis

    SciTech Connect

    Zhu, Huiyuan; Zhang, Pengfei; Dai, Sheng

    2015-09-21

    There is a need to reduce the use of noble metal elements especially in the field of catalysis, where noble metals are ubiquitously applied. To this end, perovskite oxides, an important class of mixed oxide, have been attracting increasing attention for decades as potential replacements. Benefiting from the extraordinary tunability of their compositions and structures, perovskite oxides can be rationally tailored and equipped with targeted physical and chemical properties e.g. redox behavior, oxygen mobility, and ion conductivity for enhanced catalysis. Recently, the development of highly efficient perovskite oxide catalysts has been extensively studied. This review article summarizes the recent development of lanthanum-based perovskite oxides as advanced catalysts for both energy conversion applications and traditional heterogeneous reactions.

  9. Highly Efficient Perovskite Solar Cells with Tunable Structural Color

    PubMed Central

    2015-01-01

    The performance of perovskite solar cells has been progressing over the past few years and efficiency is likely to continue to increase. However, a negative aspect for the integration of perovskite solar cells in the built environment is that the color gamut available in these materials is very limited and does not cover the green-to-blue region of the visible spectrum, which has been a big selling point for organic photovoltaics. Here, we integrate a porous photonic crystal (PC) scaffold within the photoactive layer of an opaque perovskite solar cell following a bottom-up approach employing inexpensive and scalable liquid processing techniques. The photovoltaic devices presented herein show high efficiency with tunable color across the visible spectrum. This now imbues the perovskite solar cells with highly desirable properties for cladding in the built environment and encourages design of sustainable colorful buildings and iridescent electric vehicles as future power generation sources. PMID:25650872

  10. Recent advances of lanthanum-based perovskite oxides for catalysis

    DOE PAGESBeta

    Zhu, Huiyuan; Zhang, Pengfei; Dai, Sheng

    2015-09-21

    There is a need to reduce the use of noble metal elements especially in the field of catalysis, where noble metals are ubiquitously applied. To this end, perovskite oxides, an important class of mixed oxide, have been attracting increasing attention for decades as potential replacements. Benefiting from the extraordinary tunability of their compositions and structures, perovskite oxides can be rationally tailored and equipped with targeted physical and chemical properties e.g. redox behavior, oxygen mobility, and ion conductivity for enhanced catalysis. Recently, the development of highly efficient perovskite oxide catalysts has been extensively studied. This review article summarizes the recent developmentmore » of lanthanum-based perovskite oxides as advanced catalysts for both energy conversion applications and traditional heterogeneous reactions.« less

  11. Perovskite-Fullerene Hybrid Materials Eliminate Hysteresis In Planar Diodes

    SciTech Connect

    Xu, Jixian; Buin, Andrei; Ip, Alexander H.; Li, Wei; Voznyy, Oleksandr; Comin, Riccardo; Yuan, Mingjian; Jeon, Seokmin; Ning, Zhijun; McDowell, Jeffrey; Kanjanaboos, Pongsakorn; Sun, Jon-Paul; Lan, Xinzheng; Quan, Li Na; Kim, Dong Ha; Hill, Ian; Maksymovych, Petro; Sargent, Edward H.

    2015-03-31

    Solution-processed planar perovskite devices are highly desirable in a wide variety of optoelectronic applications; however, they are prone to hysteresis and current instabilities. Here we report the first perovskite–PCBM hybrid solid with significantly reduced hysteresis and recombination loss achieved in a single step. This new material displays an efficient electrically coupled microstructure: PCBM is homogeneously distributed throughout the film at perovskite grain boundaries. The PCBM passivates the key PbI3 antisite defects during the perovskite self-assembly, as revealed by theory and experiment. Photoluminescence transient spectroscopy proves that the PCBM phase promotes electron extraction. We showcase this mixed material in planar solar cells that feature low hysteresis and enhanced photovoltage. Using conductive AFM studies, we reveal the memristive properties of perovskite films. We close by positing that PCBM, by tying up both halide-rich antisites and unincorporated halides, reduces electric field-induced anion migration that may give rise to hysteresis and unstable diode behaviour.

  12. Superior Optical Properties of Perovskite Nanocrystals as Single Photon Emitters.

    PubMed

    Hu, Fengrui; Zhang, Huichao; Sun, Chun; Yin, Chunyang; Lv, Bihu; Zhang, Chunfeng; Yu, William W; Wang, Xiaoyong; Zhang, Yu; Xiao, Min

    2015-12-22

    The power conversion efficiency of photovoltaic devices based on semiconductor perovskites has reached ∼20% after just several years of research efforts. With concomitant discoveries of other promising applications in lasers, light-emitting diodes, and photodetectors, it is natural to anticipate what further excitement these exotic perovskites could bring about. Here we report on the observation of single photon emission from single CsPbBr3 perovskite nanocrystals (NCs) synthesized from a facile colloidal approach. Compared with traditional metal-chalcogenide NCs, these CsPbBr3 NCs exhibit nearly 2 orders of magnitude increase in their absorption cross sections at similar emission colors. Moreover, the radiative lifetime of CsPbBr3 NCs is greatly shortened at both room and cryogenic temperatures to favor an extremely fast output of single photons. The above superior optical properties have paved the way toward quantum-light applications of perovskite NCs in various quantum information processing schemes. PMID:26522082

  13. Two-Dimensional Organic-Inorganic Hybrid Perovskite Photonic Films.

    PubMed

    Meng, Ke; Gao, Shanshan; Wu, Longlong; Wang, Geng; Liu, Xin; Chen, Gang; Liu, Zhou; Chen, Gang

    2016-07-13

    Organic-inorganic hybrid perovskites have created enormous expectations for low-cost and high-performance optoelectronic devices. In prospect, future advancements may derive from reaping novel electrical and optical properties beyond pristine perovskites through microscopic structure design and engineering. Herein, we report the successful preparation of two-dimensional inverse-opal perovskite (IOP) photonic films, featuring unique nanostructures and vivid colors. Further compositional and structural managements promise optical property and energy level tunability of the IOP films. They are further functionalized in solar cells, resulting in colorful devices with respectable power conversion efficiency. Such concept has not been previously applied for perovskite-based solar cells, which could open a route for more versatile optoelectronic devices. PMID:27267266

  14. Highly efficient perovskite solar cells with tunable structural color.

    PubMed

    Zhang, Wei; Anaya, Miguel; Lozano, Gabriel; Calvo, Mauricio E; Johnston, Michael B; Míguez, Hernán; Snaith, Henry J

    2015-03-11

    The performance of perovskite solar cells has been progressing over the past few years and efficiency is likely to continue to increase. However, a negative aspect for the integration of perovskite solar cells in the built environment is that the color gamut available in these materials is very limited and does not cover the green-to-blue region of the visible spectrum, which has been a big selling point for organic photovoltaics. Here, we integrate a porous photonic crystal (PC) scaffold within the photoactive layer of an opaque perovskite solar cell following a bottom-up approach employing inexpensive and scalable liquid processing techniques. The photovoltaic devices presented herein show high efficiency with tunable color across the visible spectrum. This now imbues the perovskite solar cells with highly desirable properties for cladding in the built environment and encourages design of sustainable colorful buildings and iridescent electric vehicles as future power generation sources. PMID:25650872

  15. The Coulombic Lattice Potential of Ionic Compounds: The Cubic Perovskites.

    ERIC Educational Resources Information Center

    Francisco, E.; And Others

    1988-01-01

    Presents coulombic models representing the particles of a system by point charges interacting through Coulomb's law to explain coulombic lattice potential. Uses rubidium manganese trifluoride as an example of cubic perovskite structure. Discusses the effects on cluster properties. (CW)

  16. Measurement of heat conduction through stacked screens

    NASA Technical Reports Server (NTRS)

    Lewis, M. A.; Kuriyama, T.; Kuriyama, F.; Radebaugh, R.

    1998-01-01

    This paper describes the experimental apparatus for the measurement of heat conduction through stacked screens as well as some experimental results taken with the apparatus. Screens are stacked in a fiberglass-epoxy cylinder, which is 24.4 mm in diameter and 55 mm in length. The cold end of the stacked screens is cooled by a Gifford-McMahon (GM) cryocooler at cryogenic temperature, and the hot end is maintained at room temperature. Heat conduction through the screens is determined from the temperature gradient in a calibrated heat flow sensor mounted between the cold end of the stacked screens and the GM cryocooler. The samples used for these experiments consisted of 400-mesh stainless steel screens, 400-mesh phosphor bronze screens, and two different porosities of 325-mesh stainless steel screens. The wire diameter of the 400-mesh stainless steel and phosphor bronze screens was 25.4 micrometers and the 325-mesh stainless steel screen wire diameters were 22.9 micrometers and 27.9 micrometers. Standard porosity values were used for the experimental data with additional porosity values used on selected experiments. The experimental results showed that the helium gas between each screen enhanced the heat conduction through the stacked screens by several orders of magnitude compared to that in vacuum. The conduction degradation factor is the ratio of actual heat conduction to the heat conduction where the regenerator material is assumed to be a solid rod of the same cross sectional area as the metal fraction of the screen. This factor was about 0.1 for the stainless steel and 0.022 for the phosphor bronze, and almost constant for the temperature range of 40 to 80 K at the cold end.

  17. Perovskite-type catalytic materials for environmental applications

    NASA Astrophysics Data System (ADS)

    Labhasetwar, Nitin; Saravanan, Govindachetty; Megarajan, Suresh Kumar; Manwar, Nilesh; Khobragade, Rohini; Doggali, Pradeep; Grasset, Fabien

    2015-06-01

    Perovskites are mixed-metal oxides that are attracting much scientific and application interest owing to their low price, adaptability, and thermal stability, which often depend on bulk and surface characteristics. These materials have been extensively explored for their catalytic, electrical, magnetic, and optical properties. They are promising candidates for the photocatalytic splitting of water and have also been extensively studied for environmental catalysis applications. Oxygen and cation non-stoichiometry can be tailored in a large number of perovskite compositions to achieve the desired catalytic activity, including multifunctional catalytic properties. Despite the extensive uses, the commercial success for this class of perovskite-based catalytic materials has not been achieved for vehicle exhaust emission control or for many other environmental applications. With recent advances in synthesis techniques, including the preparation of supported perovskites, and increasing understanding of promoted substitute perovskite-type materials, there is a growing interest in applied studies of perovskite-type catalytic materials. We have studied a number of perovskites based on Co, Mn, Ru, and Fe and their substituted compositions for their catalytic activity in terms of diesel soot oxidation, three-way catalysis, N2O decomposition, low-temperature CO oxidation, oxidation of volatile organic compounds, etc. The enhanced catalytic activity of these materials is attributed mainly to their altered redox properties, the promotional effect of co-ions, and the increased exposure of catalytically active transition metals in certain preparations. The recent lowering of sulfur content in fuel and concerns over the cost and availability of precious metals are responsible for renewed interest in perovskite-type catalysts for environmental applications.

  18. Decomposition of Organometal Halide Perovskite Films on Zinc Oxide Nanoparticles.

    PubMed

    Cheng, Yuanhang; Yang, Qing-Dan; Xiao, Jingyang; Xue, Qifan; Li, Ho-Wa; Guan, Zhiqiang; Yip, Hin-Lap; Tsang, Sai-Wing

    2015-09-16

    Solution processed zinc oxide (ZnO) nanoparticles (NPs) with excellent electron transport properties and a low-temperature process is a viable candidate to replace titanium dioxide (TiO2) as electron transport layer to develop high-efficiency perovskite solar cells on flexible substrates. However, the number of reported high-performance perovskite solar cells using ZnO-NPs is still limited. Here we report a detailed investigation on the chemistry and crystal growth of CH3NH3PbI3 perovskite on ZnO-NP thin films. We find that the perovskite films would severely decompose into PbI2 upon thermal annealing on the bare ZnO-NP surface. X-ray photoelectron spectroscopy (XPS) results show that the hydroxide groups on the ZnO-NP surface accelerate the decomposition of the perovskite films. To reduce the decomposition, we introduce a buffer layer in between the ZnO-NPs and perovskite layers. We find that a commonly used buffer layer with small molecule [6,6]-phenyl-C61-butyric acid methyl ester (PC61BM) can slow down but cannot completely avoid the decomposition. On the other hand, a polymeric buffer layer using poly(ethylenimine) (PEI) can effectively separate the ZnO-NPs and perovskite, which allows larger crystal formation with thermal annealing. The power conversion efficiencies of perovskite photovoltaic cells are significantly increased from 6.4% to 10.2% by replacing PC61BM with PEI as the buffer layer. PMID:26280249

  19. Structured Organic-Inorganic Perovskite toward a Distributed Feedback Laser.

    PubMed

    Saliba, Michael; Wood, Simon M; Patel, Jay B; Nayak, Pabitra K; Huang, Jian; Alexander-Webber, Jack A; Wenger, Bernard; Stranks, Samuel D; Hörantner, Maximilian T; Wang, Jacob Tse-Wei; Nicholas, Robin J; Herz, Laura M; Johnston, Michael B; Morris, Stephen M; Snaith, Henry J; Riede, Moritz K

    2016-02-01

    A general strategy for the in-plane structuring of organic-inorganic perovskite films is presented. The method is used to fabricate an industrially relevant distributed feedback (DFB) cavity, which is a critical step toward all-electrially pumped injection laser diodes. This approach opens the prospects of perovskite materials for much improved optical control in LEDs, solar cells, and also toward applications as optical devices. PMID:26630410

  20. Antiproton stacking and un-stacking in the Fermilab Recycler Ring

    SciTech Connect

    Chandra Bhat

    2003-06-12

    The Fermilab Recycler Ring (RR) is intended to be used as a future antiproton storage ring for the Run II proton-antiproton collider operation. It is proposed that about 40mA of antiproton beam from the Accumulator Ring will be transferred to the Recycler once for every two to three hours, stacked and cooled. This operation continues for about 10 to 20 hours depending on the collider needs for antiprotons. Eventually, the cooled antiproton beam will be un-stacked from the Recycler and transferred to the Tevatron via the Main Injector. They have simulated stacking and un-stacking of antiprotons in the Recycler using multi-particle beam dynamics simulation code ESME. In this paper they present results of these simulations.

  1. Shear response of Fe-bearing MgSiO3 post-perovskite at lower mantle pressures

    PubMed Central

    METSUE, Arnaud; TSUCHIYA, Taku

    2013-01-01

    We investigate the shear response of possible slip systems activated in pure and Fe-bearing MgSiO3 post-perovskite (PPv) through ab initio generalized stacking fault (GSF) energy calculations. Here we show that the [100](001) slip system has the easiest response to plastic shear among ten possible slip systems investigated. Incorporation of Fe2+ decreases the strength of all slip systems but does not change the plastic anisotropy style. Therefore, pure and Fe-bearing MgSiO3 PPv should demonstrate similar LPO patterns with a strong signature of the [100](001) slip system. An aggregate with this deformation texture is expected to produce a VSH > VSV type polarization anisotropy, being consistent with seismological observations. PMID:23318681

  2. 4-fold photocurrent enhancement in ultrathin nanoplasmonic perovskite solar cells.

    PubMed

    Cai, Boyuan; Peng, Yong; Cheng, Yi-Bing; Gu, Min

    2015-11-30

    Although perovskite materials have been widely investigated for thin-film photovoltaic devices due to the potential for high efficiency, their high toxicity has pressed the development of a solar cell structure of an ultra-thin absorber layer. But insufficient light absorption could be a result of ultra-thin perovskite films. In this paper, we propose a new nanoplasmonic solar cell that integrates metal nanoparticles at its rear/front surfaces of the perovskite layer. Plasmon-enhanced light scattering and near-field enhancement effects from lumpy sliver nanoparticles result in the photocurrent enhancement for a 50 nm thick absorber, which is higher than that for a 300 nm thick flat perovskite solar cell. We also predict the 4-fold photocurrent enhancement in an ultrathin perovskite solar cell with the absorber thickness of 10 nm. Our results pave a new way for ultrathin high-efficiency solar cells with either a lead-based or a lead-free perovskite absorption layer. PMID:26698816

  3. Laser Crystallization of Organic-Inorganic Hybrid Perovskite Solar Cells.

    PubMed

    Jeon, Taewoo; Jin, Hyeong Min; Lee, Seung Hyun; Lee, Ju Min; Park, Hyung Il; Kim, Mi Kyung; Lee, Keon Jae; Shin, Byungha; Kim, Sang Ouk

    2016-08-23

    Organic-inorganic hybrid perovskites attract enormous research interest for next generation solar energy harvest. Synergistic crystalline structures comprising organic and inorganic components enable solution processing of perovskite films. A reliable crystallization method for perovskites, compatible with fast continuous process over large-area flexible substrates, is crucial for high performance solar cell production. Here, we present laser crystallization of hybrid perovskite solar cells using near-infrared (NIR) laser (λ = 1064 nm). Crystalline morphology of CH3NH3PbI3 (MAPbI3) perovskite films are widely controllable with laser irradiation condition while maintaining film uniformity. Photothermal heating effectively assisted by interfacial photoconversion layers is critical for phase transformation without beam damage of multilayered device structures. Notably, laser crystallization attains higher device performances than conventional thermal annealing. Fast laser crystallization with manufacture level scan rate (1 m min(-1)) demonstrates inverted-type perovskite solar cells with 11.3 and 8.0% efficiencies on typical glass and flexible polymer substrates, respectively, without rigorous device optimization. PMID:27377145

  4. Iodomethane-Mediated Organometal Halide Perovskite with Record Photoluminescence Lifetime.

    PubMed

    Xu, Weidong; McLeod, John A; Yang, Yingguo; Wang, Yimeng; Wu, Zhongwei; Bai, Sai; Yuan, Zhongcheng; Song, Tao; Wang, Yusheng; Si, Junjie; Wang, Rongbin; Gao, Xingyu; Zhang, Xinping; Liu, Lijia; Sun, Baoquan

    2016-09-01

    Organometallic lead halide perovskites are excellent light harvesters for high-efficiency photovoltaic devices. However, as the key component in these devices, a perovskite thin film with good morphology and minimal trap states is still difficult to obtain. Herein we show that by incorporating a low boiling point alkyl halide such as iodomethane (CH3I) into the precursor solution, a perovskite (CH3NH3PbI3-xClx) film with improved grain size and orientation can be easily achieved. More importantly, these films exhibit a significantly reduced amount of trap states. Record photoluminescence lifetimes of more than 4 μs are achieved; these lifetimes are significantly longer than that of pristine CH3NH3PbI3-xClx films. Planar heterojunction solar cells incorporating these CH3I-mediated perovskites have demonstrated a dramatically increased power conversion efficiency compared to the ones using pristine CH3NH3PbI3-xClx. Photoluminescence, transient absorption, and microwave detected photoconductivity measurements all provide consistent evidence that CH3I addition increases the number of excitons generated and their diffusion length, both of which assist efficient carrier transport in the photovoltaic device. The simple incorporation of alkyl halide to enhance perovskite surface passivation introduces an important direction for future progress on high efficiency perovskite optoelectronic devices. PMID:27529636

  5. Two-Photon Absorption in Organometallic Bromide Perovskites.

    PubMed

    Walters, Grant; Sutherland, Brandon R; Hoogland, Sjoerd; Shi, Dong; Comin, Riccardo; Sellan, Daniel P; Bakr, Osman M; Sargent, Edward H

    2015-09-22

    Organometallic trihalide perovskites are solution-processed semiconductors that have made great strides in third-generation thin film light-harvesting and light-emitting optoelectronic devices. Recently, it has been demonstrated that large, high-purity single crystals of these perovskites can be synthesized from the solution phase. These crystals' large dimensions, clean bandgap, and solid-state order have provided us with a suitable medium to observe and quantify two-photon absorption in perovskites. When CH3NH3PbBr3 single crystals are pumped with intense 800 nm light, we observe band-to-band photoluminescence at 572 nm, indicative of two-photon absorption. We report the nonlinear absorption coefficient of CH3NH3PbBr3 perovskites to be 8.6 cm GW(-1) at 800 nm, comparable to epitaxial single-crystal semiconductors of similar bandgap. We have leveraged this nonlinear process to electrically autocorrelate a 100 fs pulsed laser using a two-photon perovskite photodetector. This work demonstrates the viability of organometallic trihalide perovskites as a convenient and low-cost nonlinear absorber for applications in ultrafast photonics. PMID:26196162

  6. Superconductivity and magnetism in rapidly solidified perovskites

    SciTech Connect

    O'Handley, R.C.; Kalonji, G.

    1991-01-01

    The report is divided into six parts, reflecting major thrusts of our work since 1987. The six areas are: molecular orbital theory of high {Tc} superconductivity; rapid solidification processing of oxide superconductors; time dependent magnetic and superconducting properties of these inhomogeneous materials; excess Gd in Gd{sub 1+x}Ba{sub 2-x}Cu{sub 3}O{sub 7-{delta}} perovskites; rapid solidification and directional annealing to achieve high Jc; and Mossbauer studies of T = Fe, Co and Ni site selection in YBa{sub 2}(CuT){sub 3}O{sub 7-{delta}} and GdBa{sub 2}(CuT){sub 3}O{sub 7-{delta}}.

  7. Perovskites for use as sulfur tolerant anodes

    NASA Astrophysics Data System (ADS)

    Howell, Thomas G.

    One of the major obstacles encountered when using solid oxide fuel cells with hydrocarbon fuels is sulfur poisoning. The current anode material used is Ni/YSZ and Ni is not sulfur tolerant; therefore, the performance of the cell will degrade over time due to the formation of NiS. Perovskites have demonstrated superior sulfur tolerance but lack the high conductivity and catalytic activity of Ni/YSZ cermets. One of the objectives of this effort is to explore the substitution of the A-site in an A2MgMoO 6 perovskite with Sr and Ba, to create Sr2MgMoO6 (SMMO) and Ba2MgMoO6 (BMMO), respectively, to improve the sulfur tolerance of solid oxide fuel cells (SOFCs). Sr2MgMoO 6, a double perovskite, has been previously studied and is suggested as a material of interest because of its relatively high conductivity and catalytic potential. Barium has not been previously studied and was selected as the dopant because the ionic radii (1.61 A) resulted in a calculated tolerance factor of 1.036 for BMMO when compared to SMMO, which has an ionic radii of 1.44 A and a calculated tolerance factor of 0.978. The tolerance factor for BaSrMgMoO6, a bi-substituted material synthesized for comparison as an intermediate formulation, was calculated to be 1.00. Another objective is to synthesize and characterize a series of lanthanum (La) doped Sr2MgMoO6 (SMMO) or La doped Sr2MgNbO 6 (SMNO) anode materials, which can be used in combination with electrolytes containing lanthanum to mitigate the effects of lanthanum poisoning in SOFCs. Currently, a La0.4Ce0.6O1.8 (LDC) transition layer is used with many perovskite-based anode materials to prevent La diffusion into the anode from the La0.8Sr0.2Ga0.8Mg 0.2O2.8 (LSGM) electrolyte, which can create a resistive La species that impedes electrochemical performance. To accomplish this, a new class of anode materials was synthesized with the goal of balancing La chemical potential between these neighboring materials. It was hypothesized that by

  8. Terahertz Spectroscopy of Osmate Double Perovskites

    NASA Astrophysics Data System (ADS)

    Warren, Matthew T.; Morrow, R.; Mai, T. T.; Xiong, J.; Woodward, P. M.; Valdés Aguilar, R.

    Double perovskites containing 5d transition metal elements allow study of the interplay of spin-orbit coupling and electronic correlations due to the heavy nuclei and large electronic wavefunctions. Here we have studied polycrystalline Sr2MOsO6 (M = Mg, Fe, Co; with Os electronic configuration of d2, d3, d2, respectively) with time-domain terahertz spectroscopy. Terahertz electrodynamics seem to be decoupled from observed magnetic and structural phase transitions in M =Mg, Co. A strong absorption is measured in M =Mg, Co around 1.5 THz, which softens with temperature, as expected for an optical phonon. The effectiveness of the variable-range hopping model and the origin of higher temperature conductivity are examined. Work at OSU supported by the NSF MRSEC Center for Emergent Materials under Grant DMR-1420451. Work supported by the Center for Emergent Materials: an NSF MRSEC under Award DMR-1420451.

  9. The interaction between hybrid organic-inorganic halide perovskite and selective contacts in perovskite solar cells: an infrared spectroscopy study.

    PubMed

    Idígoras, J; Todinova, A; Sánchez-Valencia, J R; Barranco, A; Borrás, A; Anta, J A

    2016-05-11

    The interaction of hybrid organic-inorganic halide perovskite and selective contacts is crucial to get efficient, stable and hysteresis-free perovskite-based solar cells. In this report, we analyze the vibrational properties of methylammonium lead halide perovskites deposited on different substrates by infrared absorption (IR) measurements (4000-500 cm(-1)). The materials employed as substrates are not only characterized by different chemical natures (TiO2, ZnO and Al2O3), but also by different morphologies. For all of them, we have investigated the influence of these substrate properties on perovskite formation and its degradation by humidity. The effect of selective-hole contact (Spiro-OmeTad and P3HT) layers on the degradation rate by moisture has also been studied. Our IR results reveal the existence of a strong interaction between perovskite and all ZnO materials considered, evidenced by a shift of the peaks related to the N-H vibrational modes. The interaction even induces a morphological change in ZnO nanoparticles after perovskite deposition, pointing to an acid-base reaction that takes place through the NH3(+) groups of the methylammonium cation. Our IR and X-ray diffraction results also indicate that this specific interaction favors perovskite decomposition and PbI2 formation for ZnO/perovskite films subjected to humid conditions. Although no interaction is observed for TiO2, Al2O3, and the hole selective contact, the morphology and chemical nature of both contacts appear to play an important role in the rate of degradation upon exposure to moisture. PMID:27138224

  10. Fully and partially Li-stuffed diamond polytypes with Ag-Ge structures: Li2AgGe and Li2.53AgGe2.

    PubMed

    Henze, Alexander; Hlukhyy, Viktor; Fässler, Thomas F

    2015-02-01

    In view of the search for and understanding of new materials for energy storage, the Li-Ag-Ge phase diagram has been investigated. High-temperature syntheses of Li with reguli of premelted Ag and Ge led to the two new compounds Li(2)AgGe and Li(2.80-x)AgGe(2) (x = 0.27). The compounds were characterized by single-crystal X-ray diffraction. Both compounds show diamond-polytype-like polyanionic substructures with tetrahedrally coordinated Ag and Ge atoms. The Li ions are located in the channels provided by the network. The compound Li(2)AgGe crystallizes in the space group R3̅m (No. 166) with lattice parameters of a = 4.4424(6) Å and c = 42.7104(6) Å. All atomic positions are fully occupied and ordered. Li(2.80-x)AgGe(2) crystallizes in the space group I4(1)/a (No. 88) with lattice parameters of a = 9.7606(2) Å and c = 18.4399(8) Å. The Ge substructure consists of unique (1)(∞)[Ge(10)] chains that are interconnected by Ag atoms to build a three-dimensional network. In the channels of this diamond-like network, not all of the possible positions are occupied by Li ions. Li atoms in the neighborhood of the vacancies show considerably enlarged displacement vectors. The occurrence of the vacancy is traced back to short Li-Li distances in the case of the occupation of the vacancy with Li. Both compounds are not electron-precise Zintl phases. The density of states, band structure, and crystal orbital Hamilton population analyses of Li(2.80-x)AgGe(2 )reveal metallic properties, whereas a full occupation of all Li sites leads to an electron-precise Zintl compound within a rigid-band model. Li(2)AgGe reveals metallic character in the ab plane and is a semiconductor with a small band gap along the c direction. PMID:25521213

  11. VIEW OF STACK WITH AUTOMOBILE AND TRACTOR REPAIR SHOP TO ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    VIEW OF STACK WITH AUTOMOBILE AND TRACTOR REPAIR SHOP TO THE FAR RIGHT. WAREHOUSE WITH ITS RIDGELINE ROTARY VENTS TO RIGHT OF STACK. VIEW FROM THE WEST - Kekaha Sugar Company, Sugar Mill Building, 8315 Kekaha Road, Kekaha, Kauai County, HI

  12. Project W-420 Stack Monitoring system upgrades conceptual design report

    SciTech Connect

    TUCK, J.A.

    1998-11-06

    This document describes the scope, justification, conceptual design, and performance of Project W-420 stack monitoring system upgrades on six NESHAP-designated, Hanford Tank Farms ventilation exhaust stacks.

  13. IET. Exhaust stack foundation under construction. Reinforced concrete footings for ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    IET. Exhaust stack foundation under construction. Reinforced concrete footings for duct at right of stack. Foundation is in octagonal shape. Date: October 29, 1954. INEEL negative no. 12711 - Idaho National Engineering Laboratory, Test Area North, Scoville, Butte County, ID

  14. Fine control of perovskite-layered morphology and composition via sequential deposition crystallization process towards improved perovskite solar cells

    NASA Astrophysics Data System (ADS)

    Luo, Yi; Meng, Fanli; Zhao, Erfei; Zheng, Yan-Zhen; Zhou, Yali; Tao, Xia

    2016-04-01

    The ability to prepare high coverage and compact perovskite films via solution-based crystallization manipulation processes still represents a vital issue towards improving the ultimate photoelectric conversion efficiency of devices. In this work, we prepare the active perovskite layer by means of sequential deposition crystallization process i.e. dipping PbI2-infiltrated TiO2 film within CH3NH3I solution from 20s to 60s. The morphology and thickness of the as-prepared perovskite layer, and its overall performance superiority are investigated. X-ray diffraction (XRD) reveals that a maximum conversion of PbI2 to perovskite is completed upon applying a sequential deposition crystallization process of 40s. Field emission scanning electron microscope (FESEM) demonstrates that the coverage of the perovskite capping layer exhibits a trend from rise to decline in the whole dipping time from 20s to 60s. By fine control of the dipping time, a 620 nm-thickness compact perovskite active layer is obtained at the optimized dipping time of 40s and is verified to possess strong light absorption and high electron extraction efficiency, leading to a higher photocurrent. By further optimizing the mesoporous TiO2 film thickness, a high photocurrent of 23.98 mA cm-2 and an efficiency of 13.47% are achieved.

  15. Space plasma physics: isotopic stack: measurement of heavy cosmic rays.

    PubMed

    Beaujean, R; Schmidt, M; Enge, W; Siegmon, G; Krause, J; Fischer, E

    1984-07-13

    A stack of plastic nuclear track detectors was exposed to heavy cosmic rays on the pallet of Spacelab 1. Some layers of the stack were rotated with respect to the main stack to determine the arrival time of the particles. After return of the stack the latent particle tracks are revealed by chemical etching. Under the optical microscope the charge, mass, energy, and impact direction of the particles can be deduced from the track geometry. PMID:17837938

  16. Selective dissolution of halide perovskites as a step towards recycling solar cells

    PubMed Central

    Kim, Byeong Jo; Kim, Dong Hoe; Kwon, Seung Lee; Park, So Yeon; Li, Zhen; Zhu, Kai; Jung, Hyun Suk

    2016-01-01

    Most research on perovskite solar cells has focused on improving power-conversion efficiency and stability. However, if one could refurbish perovskite solar cells, their stability might not be a critical issue. From the perspective of cost effectiveness, if failed, perovskite solar cells could be collected and recycled; reuse of their gold electrodes and transparent conducting glasses could reduce the price per watt of perovskite photovoltaic modules. Herein, we present a simple and effective method for removing the perovskite layer and reusing the mesoporous TiO2-coated transparent conducting glass substrate via selective dissolution. We find that the perovskite layer can be easily decomposed in polar aprotic solvents because of the reaction between polar aprotic solvents and Pb2+ cations. After 10 cycles of recycling, a mesoporous TiO2-coated transparent conducting glass substrate-based perovskite solar cell still shows a constant power-conversion efficiency, thereby demonstrating the possibility of recycling perovskite solar cells. PMID:27211006

  17. Selective dissolution of halide perovskites as a step towards recycling solar cells

    NASA Astrophysics Data System (ADS)

    Kim, Byeong Jo; Kim, Dong Hoe; Kwon, Seung Lee; Park, So Yeon; Li, Zhen; Zhu, Kai; Jung, Hyun Suk

    2016-05-01

    Most research on perovskite solar cells has focused on improving power-conversion efficiency and stability. However, if one could refurbish perovskite solar cells, their stability might not be a critical issue. From the perspective of cost effectiveness, if failed, perovskite solar cells could be collected and recycled; reuse of their gold electrodes and transparent conducting glasses could reduce the price per watt of perovskite photovoltaic modules. Herein, we present a simple and effective method for removing the perovskite layer and reusing the mesoporous TiO2-coated transparent conducting glass substrate via selective dissolution. We find that the perovskite layer can be easily decomposed in polar aprotic solvents because of the reaction between polar aprotic solvents and Pb2+ cations. After 10 cycles of recycling, a mesoporous TiO2-coated transparent conducting glass substrate-based perovskite solar cell still shows a constant power-conversion efficiency, thereby demonstrating the possibility of recycling perovskite solar cells.

  18. Selective dissolution of halide perovskites as a step towards recycling solar cells.

    PubMed

    Kim, Byeong Jo; Kim, Dong Hoe; Kwon, Seung Lee; Park, So Yeon; Li, Zhen; Zhu, Kai; Jung, Hyun Suk

    2016-01-01

    Most research on perovskite solar cells has focused on improving power-conversion efficiency and stability. However, if one could refurbish perovskite solar cells, their stability might not be a critical issue. From the perspective of cost effectiveness, if failed, perovskite solar cells could be collected and recycled; reuse of their gold electrodes and transparent conducting glasses could reduce the price per watt of perovskite photovoltaic modules. Herein, we present a simple and effective method for removing the perovskite layer and reusing the mesoporous TiO2-coated transparent conducting glass substrate via selective dissolution. We find that the perovskite layer can be easily decomposed in polar aprotic solvents because of the reaction between polar aprotic solvents and Pb(2+) cations. After 10 cycles of recycling, a mesoporous TiO2-coated transparent conducting glass substrate-based perovskite solar cell still shows a constant power-conversion efficiency, thereby demonstrating the possibility of recycling perovskite solar cells. PMID:27211006

  19. Process for 3D chip stacking

    DOEpatents

    Malba, Vincent

    1998-01-01

    A manufacturable process for fabricating electrical interconnects which extend from a top surface of an integrated circuit chip to a sidewall of the chip using laser pantography to pattern three dimensional interconnects. The electrical interconnects may be of an L-connect or L-shaped type. The process implements three dimensional (3D) stacking by moving the conventional bond or interface pads on a chip to the sidewall of the chip. Implementation of the process includes: 1) holding individual chips for batch processing, 2) depositing a dielectric passivation layer on the top and sidewalls of the chips, 3) opening vias in the dielectric, 4) forming the interconnects by laser pantography, and 5) removing the chips from the holding means. The process enables low cost manufacturing of chips with bond pads on the sidewalls, which enables stacking for increased performance, reduced space, and higher functional per unit volume.

  20. Process for 3D chip stacking

    DOEpatents

    Malba, V.

    1998-11-10

    A manufacturable process for fabricating electrical interconnects which extend from a top surface of an integrated circuit chip to a sidewall of the chip using laser pantography to pattern three dimensional interconnects. The electrical interconnects may be of an L-connect or L-shaped type. The process implements three dimensional (3D) stacking by moving the conventional bond or interface pads on a chip to the sidewall of the chip. Implementation of the process includes: (1) holding individual chips for batch processing, (2) depositing a dielectric passivation layer on the top and sidewalls of the chips, (3) opening vias in the dielectric, (4) forming the interconnects by laser pantography, and (5) removing the chips from the holding means. The process enables low cost manufacturing of chips with bond pads on the sidewalls, which enables stacking for increased performance, reduced space, and higher functional per unit volume. 3 figs.

  1. Development of on-site PAFC stacks

    SciTech Connect

    Hotta, K.; Matsumoto, Y.; Horiuchi, H.; Ohtani, T.

    1996-12-31

    PAFC (Phosphoric Acid Fuel Cell) has been researched for commercial use and demonstration plants have been installed in various sites. However, PAFC don`t have a enough stability yet, so more research and development must be required in the future. Especially, cell stack needs a proper state of three phases (liquid, gas and solid) interface. It is very difficult technology to keep this condition for a long time. In the small size cell with the electrode area of 100 cm{sup 2}, gas flow and temperature distributions show uniformity. But in the large size cell with the electrode area of 4000 cm{sup 2}, the temperature distributions show non-uniformity. These distributions would cause to be shorten the cell life. Because these distributions make hot-spot and gas poverty in limited parts. So we inserted thermocouples in short-stack for measuring three-dimensional temperature distributions and observed effects of current density and gas utilization on temperature.

  2. SOFC cells and stacks for complex fuels

    SciTech Connect

    Edward M. Sabolsky; Matthew Seabaugh; Katarzyna Sabolsky; Sergio A. Ibanez; Zhimin Zhong

    2007-07-01

    Reformed hydrocarbon and coal (syngas) fuels present an opportunity to integrate solid oxide fuel cells into the existing fuel infrastructure. However, these fuels often contain impurities or additives that may lead to cell degradation through sulfur poisoning or coking. Achieving high performance and sulfur tolerance in SOFCs operating on these fuels would simplify system balance of plant and sequestration of anode tail gas. NexTech Materials, Ltd., has developed a suite of materials and components (cells, seals, interconnects) designed for operation in sulfur-containing syngas fuels. These materials and component technologies have been integrated into an SOFC stack for testing on simulated propane, logistic fuel reformates and coal syngas. Details of the technical approach, cell and stack performance is reported.

  3. System for inspection of stacked cargo containers

    SciTech Connect

    Derenzo, Stephen

    2011-08-16

    The present invention relates to a system for inspection of stacked cargo containers. One embodiment of the invention generally comprises a plurality of stacked cargo containers arranged in rows or tiers, each container having a top, a bottom a first side, a second side, a front end, and a back end; a plurality of spacers arranged in rows or tiers; one or more mobile inspection devices for inspecting the cargo containers, wherein the one or more inspection devices are removeably disposed within the spacers, the inspection means configured to move through the spacers to detect radiation within the containers. The invented system can also be configured to inspect the cargo containers for a variety of other potentially hazardous materials including but not limited to explosive and chemical threats.

  4. Radiation-Tolerant Intelligent Memory Stack - RTIMS

    NASA Technical Reports Server (NTRS)

    Ng, Tak-kwong; Herath, Jeffrey A.

    2011-01-01

    This innovation provides reconfigurable circuitry and 2-Gb of error-corrected or 1-Gb of triple-redundant digital memory in a small package. RTIMS uses circuit stacking of heterogeneous components and radiation shielding technologies. A reprogrammable field-programmable gate array (FPGA), six synchronous dynamic random access memories, linear regulator, and the radiation mitigation circuits are stacked into a module of 42.7 42.7 13 mm. Triple module redundancy, current limiting, configuration scrubbing, and single- event function interrupt detection are employed to mitigate radiation effects. The novel self-scrubbing and single event functional interrupt (SEFI) detection allows a relatively soft FPGA to become radiation tolerant without external scrubbing and monitoring hardware

  5. Multistage Force Amplification of Piezoelectric Stacks

    NASA Technical Reports Server (NTRS)

    Xu, Tian-Bing (Inventor); Siochi, Emilie J. (Inventor); Zuo, Lei (Inventor); Jiang, Xiaoning (Inventor); Kang, Jin Ho (Inventor)

    2015-01-01

    Embodiments of the disclosure include an apparatus and methods for using a piezoelectric device, that includes an outer flextensional casing, a first cell and a last cell serially coupled to each other and coupled to the outer flextensional casing such that each cell having a flextensional cell structure and each cell receives an input force and provides an output force that is amplified based on the input force. The apparatus further includes a piezoelectric stack coupled to each cell such that the piezoelectric stack of each cell provides piezoelectric energy based on the output force for each cell. Further, the last cell receives an input force that is the output force from the first cell and the last cell provides an output apparatus force In addition, the piezoelectric energy harvested is based on the output apparatus force. Moreover, the apparatus provides displacement based on the output apparatus force.

  6. Learning algorithms for stack filter classifiers

    SciTech Connect

    Porter, Reid B; Hush, Don; Zimmer, Beate G

    2009-01-01

    Stack Filters define a large class of increasing filter that is used widely in image and signal processing. The motivations for using an increasing filter instead of an unconstrained filter have been described as: (1) fast and efficient implementation, (2) the relationship to mathematical morphology and (3) more precise estimation with finite sample data. This last motivation is related to methods developed in machine learning and the relationship was explored in an earlier paper. In this paper we investigate this relationship by applying Stack Filters directly to classification problems. This provides a new perspective on how monotonicity constraints can help control estimation and approximation errors, and also suggests several new learning algorithms for Boolean function classifiers when they are applied to real-valued inputs.

  7. Biofilters remove VOCs from stack gases

    SciTech Connect

    Not Available

    1993-10-01

    Weyerhaeuser's strandboard plant in Grayling, Mich., is using biofiltration to remove volatile organic compounds (VOCs) at the site. Primary constituents in the Weyerhaeuser stack gases are alcohols, aldehydes, organic acids, benzene and toluene. The alternative to biofiltration is incineration, but because the concentration of VOCs in the stack gases is so dilute, natural gas would be required. Incineration would be costly, and could introduce pollution problems by generating excess carbon dioxide (CO[sub 2]) and possibly nitrogen oxides. Two pilot biofilters, each about 20ft by 100ft in area, with 4-ft thick media of bark and ground trim ends, are using naturally occurring bacteria to destroy VOCs emanating from a wood panel press and a wood flake dryer. The press offgas biofilter, activated February 1993, had risen to 93% efficiency in removing VOCs by mid-May. The flake dryer exhaust biofilter, placed in service in April, already was more than 80% efficient.

  8. Annular feed air breathing fuel cell stack

    DOEpatents

    Wilson, Mahlon S.

    1996-01-01

    A stack of polymer electrolyte fuel cells is formed from a plurality of unit cells where each unit cell includes fuel cell components defining a periphery and distributed along a common axis, where the fuel cell components include a polymer electrolyte membrane, an anode and a cathode contacting opposite sides of the membrane, and fuel and oxygen flow fields contacting the anode and the cathode, respectively, wherein the components define an annular region therethrough along the axis. A fuel distribution manifold within the annular region is connected to deliver fuel to the fuel flow field in each of the unit cells. In a particular embodiment, a single bolt through the annular region clamps the unit cells together. In another embodiment, separator plates between individual unit cells have an extended radial dimension to function as cooling fins for maintaining the operating temperature of the fuel cell stack.

  9. Adjustable cutting guide aligns and positions stacks of material

    NASA Technical Reports Server (NTRS)

    Thiel, A. M.

    1966-01-01

    Adjustable guide tool aligns and positions stacks of material for cutting at various angles. The device adapts its shape to stacks of any corner angle, adjusts to any cutting angle, and quickly aligns the stacks for repeated cutting. With this device, an operator need not place his hands under the knife during alignment.

  10. 40 CFR 52.345 - Stack height regulations.

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... 40 Protection of Environment 3 2014-07-01 2014-07-01 false Stack height regulations. 52.345... (CONTINUED) APPROVAL AND PROMULGATION OF IMPLEMENTATION PLANS Colorado § 52.345 Stack height regulations. The State of Colorado has committed to revise its stack height regulations should EPA complete rulemaking...

  11. 40 CFR 52.1388 - Stack height regulations.

    Code of Federal Regulations, 2012 CFR

    2012-07-01

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  12. 40 CFR 52.2633 - Stack height regulations.

    Code of Federal Regulations, 2013 CFR

    2013-07-01

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  13. 40 CFR 52.345 - Stack height regulations.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... 40 Protection of Environment 3 2011-07-01 2011-07-01 false Stack height regulations. 52.345... (CONTINUED) APPROVAL AND PROMULGATION OF IMPLEMENTATION PLANS Colorado § 52.345 Stack height regulations. The State of Colorado has committed to revise its stack height regulations should EPA complete rulemaking...

  14. 40 CFR 51.164 - Stack height procedures.

    Code of Federal Regulations, 2014 CFR

    2014-07-01

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  15. 40 CFR 52.1034 - Stack height review.

    Code of Federal Regulations, 2014 CFR

    2014-07-01

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  16. 40 CFR 52.383 - Stack height review.

    Code of Federal Regulations, 2012 CFR

    2012-07-01

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  17. 40 CFR 52.2534 - Stack height review.

    Code of Federal Regulations, 2012 CFR

    2012-07-01

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  18. 40 CFR 52.383 - Stack height review.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

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  19. 40 CFR 52.1034 - Stack height review.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

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  20. 40 CFR 52.383 - Stack height review.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

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  1. 40 CFR 52.2633 - Stack height regulations.

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... 40 Protection of Environment 5 2014-07-01 2014-07-01 false Stack height regulations. 52.2633... (CONTINUED) APPROVAL AND PROMULGATION OF IMPLEMENTATION PLANS (CONTINUED) Wyoming § 52.2633 Stack height..., Administrator of The Air Quality Division, the State committed to conduct stack height evaluations in...

  2. 40 CFR 52.2633 - Stack height regulations.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 40 Protection of Environment 4 2010-07-01 2010-07-01 false Stack height regulations. 52.2633... (CONTINUED) APPROVAL AND PROMULGATION OF IMPLEMENTATION PLANS (CONTINUED) Wyoming § 52.2633 Stack height..., Administrator of The Air Quality Division, the State committed to conduct stack height evaluations in...

  3. 40 CFR 52.2633 - Stack height regulations.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... 40 Protection of Environment 4 2011-07-01 2011-07-01 false Stack height regulations. 52.2633... (CONTINUED) APPROVAL AND PROMULGATION OF IMPLEMENTATION PLANS (CONTINUED) Wyoming § 52.2633 Stack height..., Administrator of The Air Quality Division, the State committed to conduct stack height evaluations in...

  4. 40 CFR 52.2347 - Stack height regulations.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

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  5. 40 CFR 52.383 - Stack height review.

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... 40 Protection of Environment 3 2014-07-01 2014-07-01 false Stack height review. 52.383 Section 52...) APPROVAL AND PROMULGATION OF IMPLEMENTATION PLANS Connecticut § 52.383 Stack height review. The State of... by stack height credits greater than good engineering practice or any other prohibited...

  6. 40 CFR 52.1832 - Stack height regulations.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 40 Protection of Environment 4 2010-07-01 2010-07-01 false Stack height regulations. 52.1832... (CONTINUED) APPROVAL AND PROMULGATION OF IMPLEMENTATION PLANS (CONTINUED) North Dakota § 52.1832 Stack height regulations. The State of North Dakota has committed to revise its stack height regulations should...

  7. 40 CFR 52.345 - Stack height regulations.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 40 Protection of Environment 3 2010-07-01 2010-07-01 false Stack height regulations. 52.345... (CONTINUED) APPROVAL AND PROMULGATION OF IMPLEMENTATION PLANS Colorado § 52.345 Stack height regulations. The State of Colorado has committed to revise its stack height regulations should EPA complete rulemaking...

  8. 40 CFR 52.1388 - Stack height regulations.

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... 40 Protection of Environment 4 2014-07-01 2014-07-01 false Stack height regulations. 52.1388... (CONTINUED) APPROVAL AND PROMULGATION OF IMPLEMENTATION PLANS (CONTINUED) Montana § 52.1388 Stack height regulations. The State of Montana has committed to revise its stack height regulations should EPA...

  9. 40 CFR 51.164 - Stack height procedures.

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... 40 Protection of Environment 2 2013-07-01 2013-07-01 false Stack height procedures. 51.164 Section... Modifications § 51.164 Stack height procedures. Such procedures must provide that the degree of emission... source's stack height that exceeds good engineering practice or by any other dispersion technique,...

  10. 40 CFR 52.1034 - Stack height review.

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... 40 Protection of Environment 4 2012-07-01 2012-07-01 false Stack height review. 52.1034 Section 52...) APPROVAL AND PROMULGATION OF IMPLEMENTATION PLANS (CONTINUED) Maine § 52.1034 Stack height review. The... affected by stack height credits greater than good engineering practice or any other prohibited...

  11. 40 CFR 52.2534 - Stack height review.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... 40 Protection of Environment 4 2011-07-01 2011-07-01 false Stack height review. 52.2534 Section 52...) APPROVAL AND PROMULGATION OF IMPLEMENTATION PLANS (CONTINUED) West Virginia § 52.2534 Stack height review... emission limits, other than those for the Kammer power plant, have been affected by stack height...

  12. 40 CFR 52.1388 - Stack height regulations.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 40 Protection of Environment 4 2010-07-01 2010-07-01 false Stack height regulations. 52.1388... (CONTINUED) APPROVAL AND PROMULGATION OF IMPLEMENTATION PLANS (CONTINUED) Montana § 52.1388 Stack height regulations. The State of Montana has committed to revise its stack height regulations should EPA...

  13. 40 CFR 52.1388 - Stack height regulations.

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... 40 Protection of Environment 4 2013-07-01 2013-07-01 false Stack height regulations. 52.1388... (CONTINUED) APPROVAL AND PROMULGATION OF IMPLEMENTATION PLANS (CONTINUED) Montana § 52.1388 Stack height regulations. The State of Montana has committed to revise its stack height regulations should EPA...

  14. 40 CFR 52.383 - Stack height review.

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... 40 Protection of Environment 3 2013-07-01 2013-07-01 false Stack height review. 52.383 Section 52...) APPROVAL AND PROMULGATION OF IMPLEMENTATION PLANS Connecticut § 52.383 Stack height review. The State of... by stack height credits greater than good engineering practice or any other prohibited...

  15. 40 CFR 52.2534 - Stack height review.

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... 40 Protection of Environment 5 2014-07-01 2014-07-01 false Stack height review. 52.2534 Section 52...) APPROVAL AND PROMULGATION OF IMPLEMENTATION PLANS (CONTINUED) West Virginia § 52.2534 Stack height review... emission limits, other than those for the Kammer power plant, have been affected by stack height...

  16. 40 CFR 52.2534 - Stack height review.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 40 Protection of Environment 4 2010-07-01 2010-07-01 false Stack height review. 52.2534 Section 52...) APPROVAL AND PROMULGATION OF IMPLEMENTATION PLANS (CONTINUED) West Virginia § 52.2534 Stack height review... emission limits, other than those for the Kammer power plant, have been affected by stack height...

  17. 40 CFR 52.2347 - Stack height regulations.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... 40 Protection of Environment 4 2011-07-01 2011-07-01 false Stack height regulations. 52.2347... (CONTINUED) APPROVAL AND PROMULGATION OF IMPLEMENTATION PLANS (CONTINUED) Utah § 52.2347 Stack height regulations. The State of Utah has committed to revise its stack height regulations should EPA...

  18. 40 CFR 52.2347 - Stack height regulations.

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... 40 Protection of Environment 5 2014-07-01 2014-07-01 false Stack height regulations. 52.2347... (CONTINUED) APPROVAL AND PROMULGATION OF IMPLEMENTATION PLANS (CONTINUED) Utah § 52.2347 Stack height regulations. The State of Utah has committed to revise its stack height regulations should EPA...

  19. 40 CFR 52.2633 - Stack height regulations.

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... 40 Protection of Environment 5 2012-07-01 2012-07-01 false Stack height regulations. 52.2633... (CONTINUED) APPROVAL AND PROMULGATION OF IMPLEMENTATION PLANS (CONTINUED) Wyoming § 52.2633 Stack height..., Administrator of The Air Quality Division, the State committed to conduct stack height evaluations in...

  20. 40 CFR 52.1034 - Stack height review.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... 40 Protection of Environment 4 2011-07-01 2011-07-01 false Stack height review. 52.1034 Section 52...) APPROVAL AND PROMULGATION OF IMPLEMENTATION PLANS (CONTINUED) Maine § 52.1034 Stack height review. The... affected by stack height credits greater than good engineering practice or any other prohibited...

  1. 40 CFR 52.345 - Stack height regulations.

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... 40 Protection of Environment 3 2013-07-01 2013-07-01 false Stack height regulations. 52.345... (CONTINUED) APPROVAL AND PROMULGATION OF IMPLEMENTATION PLANS Colorado § 52.345 Stack height regulations. The State of Colorado has committed to revise its stack height regulations should EPA complete rulemaking...

  2. 40 CFR 52.1034 - Stack height review.

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... 40 Protection of Environment 4 2013-07-01 2013-07-01 false Stack height review. 52.1034 Section 52...) APPROVAL AND PROMULGATION OF IMPLEMENTATION PLANS (CONTINUED) Maine § 52.1034 Stack height review. The... affected by stack height credits greater than good engineering practice or any other prohibited...

  3. 40 CFR 52.345 - Stack height regulations.

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... 40 Protection of Environment 3 2012-07-01 2012-07-01 false Stack height regulations. 52.345... (CONTINUED) APPROVAL AND PROMULGATION OF IMPLEMENTATION PLANS Colorado § 52.345 Stack height regulations. The State of Colorado has committed to revise its stack height regulations should EPA complete rulemaking...

  4. 40 CFR 52.2347 - Stack height regulations.

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... 40 Protection of Environment 5 2012-07-01 2012-07-01 false Stack height regulations. 52.2347... (CONTINUED) APPROVAL AND PROMULGATION OF IMPLEMENTATION PLANS (CONTINUED) Utah § 52.2347 Stack height regulations. The State of Utah has committed to revise its stack height regulations should EPA...

  5. 40 CFR 51.164 - Stack height procedures.

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... 40 Protection of Environment 2 2012-07-01 2012-07-01 false Stack height procedures. 51.164 Section... Modifications § 51.164 Stack height procedures. Such procedures must provide that the degree of emission... source's stack height that exceeds good engineering practice or by any other dispersion technique,...

  6. 40 CFR 52.2347 - Stack height regulations.

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... 40 Protection of Environment 5 2013-07-01 2013-07-01 false Stack height regulations. 52.2347... (CONTINUED) APPROVAL AND PROMULGATION OF IMPLEMENTATION PLANS (CONTINUED) Utah § 52.2347 Stack height regulations. The State of Utah has committed to revise its stack height regulations should EPA...

  7. 40 CFR 52.1388 - Stack height regulations.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... 40 Protection of Environment 4 2011-07-01 2011-07-01 false Stack height regulations. 52.1388... (CONTINUED) APPROVAL AND PROMULGATION OF IMPLEMENTATION PLANS (CONTINUED) Montana § 52.1388 Stack height regulations. The State of Montana has committed to revise its stack height regulations should EPA...

  8. CAM and stack air sampler design guide

    SciTech Connect

    Phillips, T.D.

    1994-05-13

    About 128 air samplers and CAMs presently in service to detect and document potential radioactive release from `H` and `F` area tank farm ventilation stacks are scheduled for replacement and/or upgrade by Projects S-5764, S-2081, S-3603, and S-4516. The seven CAMs scheduled to be upgraded by Project S-4516 during 1995 are expected to provide valuable experience for the three remaining projects. The attached document provides design guidance for the standardized High Level Waste air sampling system.

  9. Fast beam stacking using rf barriers

    SciTech Connect

    Chou, W.; Capista, D.; Griffin, J.; Ng, K.-Y.; Wildman, D.; /Fermilab

    2007-06-01

    Two barrier RF systems were fabricated, tested and installed in the Fermilab Main Injector. Each can provide 8 kV rectangular pulses (the RF barriers) at 90 kHz. When a stationary barrier is combined with a moving barrier, injected beams from the Booster can be continuously deflected, folded and stacked in the Main Injector, which leads to doubling of the beam intensity. This paper gives a report on the beam experiment using this novel technology.

  10. Method and apparatus for pulse stacking

    DOEpatents

    Harney, Robert C.

    1977-01-01

    An active pulse stacking system including an etalon and an electro-optical modulator apparatus combined with a pulse-forming network capable of forming and summing a sequence of time-delayed optical waveforms arising from, for example, a single laser pulse. The Pockels cell pulse stacker may attain an efficiency of about 2.6% while providing a controllable faster-than-exponential time rise in transmitted pulse intensity.

  11. Stacked Switchable Element and Diode Combination

    DOEpatents

    Branz, H. M.; Wang, Q.

    2006-06-27

    A device (10) comprises a semiconductor diode (12) and a switchable element (14) positioned in stacked adjacent relationship so that the semiconductor diode (12) and the switchable element (14) are electrically connected in series with one another. The switchable element (14) is switchable from a low-conductance state to a high-conductance state in response to the application of a forming voltage to the switchable element (14).

  12. Stacked switchable element and diode combination

    DOEpatents

    Branz, Howard M.; Wang, Qi

    2006-06-27

    A device (10) comprises a semiconductor diode (12) and a switchable element (14) positioned in stacked adjacent relationship so that the semiconductor diode (12) and the switchable element (14) are electrically connected in series with one another. The switchable element (14) is switchable from a low-conductance state to a high-conductance state in response to the application of a forming voltage to the switchable element (14).

  13. Extended Life PZT Stack Test Fixture

    NASA Technical Reports Server (NTRS)

    Badescu, Mircea; Sherrit, S.; Bao, X.; Aldrich, J.; Bar-Cohen, Y.; Jones, C.

    2009-01-01

    Piezoelectric stacks are being sought to be used as actuators for precision positioning and deployment of mechanisms in future planetary missions. Beside the requirement for very high operation reliability, these actuators are required for operation at space environments that are considered harsh compared to normal terrestrial conditions.These environmental conditions include low and high temperatures and vacuum or high pressure. Additionally, the stacks are subjected to high stress and in some applications need to operate with a very long lifetime durability.Many of these requirements are beyond the current industry design margins for nominal terrestrial applications. In order to investigate some of the properties that will indicate the durability of such actuators and their limitations we have developed a new type of test fixture that can be easily integrated in various test chambers for simulating environmental conditions, can provide access for multiple measurements while being exposed to adjustable stress levels. We designed and built two test fixtures and these fixtures were made to be adjustable for testing stacks with different dimensions and can be easily used in small or large numbers. The properties that were measured using these fixtures include impedance, capacitance, dielectric loss factor, leakage current, displacement, breakdown voltage, and lifetime performance. The fixtures characteristics and the test capabilities are presented in this paper.

  14. Stacking trilayers to increase force generation

    NASA Astrophysics Data System (ADS)

    Farajollahi, Meisam; Ebrahimi Takallo, Saeede; Woehling, Vincent; Fannir, Adelyne; Plesse, Cédric; Vidal, Frédéric; Sassani, Farrokh; Madden, John D. W.

    2015-04-01

    Trilayer actuators enable large mechanical amplification, but at the expense of force. Thicker trilayers can generate more force, but displacement drops. Ideally of course a combination of high force and large displacement is desirable. In this work we explore the stacking of trilayers driven by conducting polymers in order to combine large force and reasonable deflection. Trilayer actuators operating in air are simulated using the finite element method. Force generated and the maximum beam deflection of individual and multiple stacked trilayers are studied in terms of the interface condition of the neighboring layers and the length of the auxiliary trilayer. The best performance is obtained when trilayers are able to slide with respect to each other so forces can add without impeding displacement. This case will require low friction and uniformity among the trilayers. Bonding of stacked trilayers along their entire length increases force, but dramatically reduces displacement. An alternative which leads to moderate displacements with increased force is the use of a long and a short trilayer that are bonded.

  15. When is stacking confusing? The impact of confusion on stacking in deep H I galaxy surveys

    NASA Astrophysics Data System (ADS)

    Jones, Michael G.; Haynes, Martha P.; Giovanelli, Riccardo; Papastergis, Emmanouil

    2016-01-01

    We present an analytic model to predict the H I mass contributed by confused sources to a stacked spectrum in a generic H I survey. Based on the ALFALFA (Arecibo Legacy Fast ALFA) correlation function, this model is in agreement with the estimates of confusion present in stacked Parkes telescope data, and was used to predict how confusion will limit stacking in the deepest Square Kilometre Array precursor H I surveys. Stacking with LADUMA (Looking At the Distant Universe with MeerKAT) and DINGO UDEEP (Deep Investigation of Neutral Gas Origins - Ultra Deep) data will only be mildly impacted by confusion if their target synthesized beam size of 10 arcsec can be achieved. Any beam size significantly above this will result in stacks that contain a mass in confused sources that is comparable to (or greater than) that which is detectable via stacking, at all redshifts. CHILES (COSMOS H I Large Extragalactic Survey) 5 arcsec resolution is more than adequate to prevent confusion influencing stacking of its data, throughout its bandpass range. FAST (Five hundred metre Aperture Spherical Telescope) will be the most impeded by confusion, with H I surveys likely becoming heavily confused much beyond z = 0.1. The largest uncertainties in our model are the redshift evolution of the H I density of the Universe and the H I correlation function. However, we argue that the two idealized cases we adopt should bracket the true evolution, and the qualitative conclusions are unchanged regardless of the model choice. The profile shape of the signal due to confusion (in the absence of any detection) was also modelled, revealing that it can take the form of a double Gaussian with a narrow and wide component.

  16. Controlling the Cavity Structures of Two-Photon-Pumped Perovskite Microlasers.

    PubMed

    Zhang, Wei; Peng, Lan; Liu, Jie; Tang, Aiwei; Hu, Jin-Song; Yao, Jiannian; Zhao, Yong Sheng

    2016-06-01

    Low-threshold two-photon-pumped (TPP) perovskite microcavity lasers are achieved in crystal perovskite 1D or 2D microstructures fabricated through a liquid-phase self-assembly method assisted by two distinct surfactant soft templates. The lasing actions from the perovskite materials exhibit a shape-dependent microcavity effect, which is subsequently utilized for the modulation of the lasing modes and for the achievement of two-photon-pumped single-mode perovskite microlasers. PMID:27007487

  17. Low-temperature fabrication of efficient wide-bandgap organolead trihalide perovskite solar cells

    SciTech Connect

    Bi, Cheng; Yuan, Yongbo; Fang, Yanjun; Huang, Jinsong

    2014-11-25

    A mixed halide perovskite solar cell with a 1.72 eV bandgap is developed by incorporating Br into perovskite through a low-temperature solution process. A high efficiency of 13.1% is achieved by carefully tuning the thickness, morphology, and surface passivation of the perovskite layers. Furthermore, the fabrication techniques and conditions are compatible with future perovskite/Si tandem cell studies.

  18. Influence of void-free perovskite capping layer on the charge recombination process in high performance CH3NH3PbI3 perovskite solar cells

    NASA Astrophysics Data System (ADS)

    Fu, Kunwu; Nelson, Christopher T.; Scott, Mary Cooper; Minor, Andrew; Mathews, Nripan; Wong, Lydia Helena

    2016-02-01

    The stunning rise of methylammonium lead iodide perovskite material as a light harvesting material in recent years has drawn much attention in the photovoltaic community. Here, we investigated in detail the uniform and void-free perovskite capping layer in the mesoscopic perovskite devices and found it to play a critical role in determining device performance and charge recombination process. Compared to the rough surface with voids of the perovskite layer, surface of the perovskite capping layer obtained from sequential deposition process is much more uniform with less void formation and distribution within the TiO2 mesoscopic scaffold is more homogeneous, leading to much improved photovoltaic parameters of the devices. The impact of void free perovskite capping layer surface on the charge recombination processes within the mesoscopic perovskite solar cells is further scrutinized via charge extraction measurement. Modulation of precursor solution concentrations in order to further improve the perovskite layer surface morphology leads to higher efficiency and lower charge recombination rates. Inhibited charge recombination in these solar cells also matches with the higher charge density and slower photovoltage decay profiles measured.The stunning rise of methylammonium lead iodide perovskite material as a light harvesting material in recent years has drawn much attention in the photovoltaic community. Here, we investigated in detail the uniform and void-free perovskite capping layer in the mesoscopic perovskite devices and found it to play a critical role in determining device performance and charge recombination process. Compared to the rough surface with voids of the perovskite layer, surface of the perovskite capping layer obtained from sequential deposition process is much more uniform with less void formation and distribution within the TiO2 mesoscopic scaffold is more homogeneous, leading to much improved photovoltaic parameters of the devices. The impact of

  19. Recent Advances in Interface Engineering for Planar Heterojunction Perovskite Solar Cells.

    PubMed

    Yin, Wei; Pan, Lijia; Yang, Tingbin; Liang, Yongye

    2016-01-01

    Organic-inorganic hybrid perovskite solar cells are considered as one of the most promising next-generation solar cells due to their advantages of low-cost precursors, high power conversion efficiency (PCE) and easy of processing. In the past few years, the PCEs have climbed from a few to over 20% for perovskite solar cells. Recent developments demonstrate that perovskite exhibits ambipolar semiconducting characteristics, which allows for the construction of planar heterojunction (PHJ) perovskite solar cells. PHJ perovskite solar cells can avoid the use of high-temperature sintered mesoporous metal oxides, enabling simple processing and the fabrication of flexible and tandem perovskite solar cells. In planar heterojunction materials, hole/electron transport layers are introduced between a perovskite film and the anode/cathode. The hole and electron transporting layers are expected to enhance exciton separation, charge transportation and collection. Further, the supporting layer for the perovskite film not only plays an important role in energy-level alignment, but also affects perovskite film morphology, which have a great effect on device performance. In addition, interfacial layers also affect device stability. In this review, recent progress in interfacial engineering for PHJ perovskite solar cells will be reviewed, especially with the molecular interfacial materials. The supporting interfacial layers for the optimization of perovskite films will be systematically reviewed. Finally, the challenges remaining in perovskite solar cells research will be discussed. PMID:27347923

  20. Tunable band gap in biased rhombohedral-stacked trilayer graphene

    NASA Astrophysics Data System (ADS)

    Mihiri Shashikala, H. B.; Wang, Xiao-Qian

    2012-03-01

    We have employed dispersion-corrected density-functional calculations to investigate the electronic characteristics of Bernal-stacked trilayer (ABA) and rhombohedral-stacked (ABC) trilayer graphene. In contrast to semimetallic behavior for Bernal-stacked trilayer, rhombohedral-stacked trilayer leads to a band gap opening with the applications of a perpendicular electric bias. The induced gap is shown to be attributed to the avoiding of level crossing among even and odd parity states that depends on the stacking pattern. The tunable band gap suggests a sensitive and effective way to tailor properties of trilayer graphene for future applications in nanoscale devices.

  1. Investigations of bonded and curved microchannel plate stacks

    NASA Technical Reports Server (NTRS)

    Siegmund, O. H. W.

    1988-01-01

    The technique of fusing, or bonding, individual microchannel plate (MCP) stacks together offers the possibility of improving the uniformity of MCP stack operating characteristics and provides a convenient monolithic format. Here, the effectiveness of bonded MCP stacks and stacks of MCPs with curved surfaces is investigated to determine if MCP requirements for future astrophysical detectors can be achieved. The results show that both configurations give superior MCP performance characteristics. However, some problems remain with regard to the fabrication of bonded MCP stacks resulting in poor flat field characteristics and increased background.

  2. Imaging Stacking Order in Few-Layer Graphene

    SciTech Connect

    C Lui; Z Li; Z Chen; P Klimov; L Brus; T Heinz

    2011-12-31

    Few-layer graphene (FLG) has been predicted to exist in various crystallographic stacking sequences, which can strongly influence the material's electronic properties. We demonstrate an accurate and efficient method to characterize stacking order in FLG using the distinctive features of the Raman 2D-mode. Raman imaging allows us to visualize directly the spatial distribution of Bernal (ABA) and rhombohedral (ABC) stacking in tri- and tetralayer graphene. We find that 15% of exfoliated graphene tri- and tetralayers is composed of micrometer-sized domains of rhombohedral stacking, rather than of usual Bernal stacking. These domains are stable and remain unchanged for temperatures exceeding 800 C.

  3. Nonlinear dynamics of a stack/cable system

    SciTech Connect

    Cai, Y.; Chen, S.S.

    1995-07-01

    In this study, we developed a coupled model of wind-induced vibration of a stack, based on an unsteady-flow theory and nonlinear dynamics of the stack`s heavy elastic suspended cables. Numerical analysis was performed to identify excitation mechanisms. The stack was found to be excited by vortex shedding. Once lock-in resonance occurred, the cables were excited by the transverse motion of the stack. Large-amplitude oscillations of the cables were due to parametric resonance. Appropriate techniques have been proposed to alleviate the vibration problem.

  4. Hydrothermal epitaxy of perovskite thin films

    NASA Astrophysics Data System (ADS)

    Chien, Allen T.

    1998-12-01

    This work details the discovery and study of a new process for the growth of epitaxial single crystal thin films which we call hydrothermal epitaxy. Hydrothermal epitaxy is a low temperature solution route for producing heteroepitaxial thin films through the use of solution chemistry and structurally similar substrates. The application of this synthesis route has led to the growth of a variety of epitaxial perovskite (BaTiOsb3, SrTiOsb3, and Pb(Zr,Ti)Osb3 (PZT)) thin films which provides a simple processing pathway for the formation of other materials of technological interest. BaTiOsb3 and PZT heteroepitaxial thin films and powders were produced by the hydrothermal method at 90-200sp°C using various alkali bases. XRD and TEM analysis shows that, in each case, the films and powders form epitaxially with a composition nearly identical to that of the starting precursors. Sequential growth experiments show that film formation initiates by the nucleation of submicron faceted islands at the step edges of the SrTiOsb3 substrates followed by coalescence after longer growth periods. A Ba-rich interfacial layer between the BaTiOsb3 islands and the SrTiOsb3 surface is seen by cross-section TEM during early growth periods. Electrophoretic and Basp{2+} adsorption data provide a chemical basis for the existence of the interfacial layer. Homoepitaxial growth of SrTiOsb3 on SrTiOsb3 also occurs by island growth, suggesting that the growth mode may be a consequence of the aqueous surface chemistry inherent in the process. Film formation is shown to be affected by any number of factors including type of base, pH, temperature, and substrate pretreatments. Different cation bases (Na-, K-, Rb-, Cs-, TMA-OH) demonstrated pronounced changes in powder and film morphology. For example, smaller cation bases (e.g., NaOH, KOH and RbOH) resulted the formation of 1.5 mum \\{100\\} faceted perovskite PbTiOsb3 blocks while larger cation bases (e.g., CsOH and TMA-OH) produced 500 nm sized

  5. A Long-Term View on Perovskite Optoelectronics.

    PubMed

    Docampo, Pablo; Bein, Thomas

    2016-02-16

    Recently, metal halide perovskite materials have become an exciting topic of research for scientists of a wide variety of backgrounds. Perovskites have found application in many fields, starting from photovoltaics and now also making an impact in light-emitting applications. This new class of materials has proven so interesting since it can be easily solution processed while exhibiting materials properties approaching the best inorganic optoelectronic materials such as GaAs and Si. In photovoltaics, in only 3 years, efficiencies have rapidly increased from an initial value of 3.8% to over 20% in recent reports for the commonly employed methylammonium lead iodide (MAPI) perovskite. The first light emitting diodes and light-emitting electrochemical cells have been developed already exhibiting internal quantum efficiencies exceeding 15% for the former and tunable light emission spectra. Despite their processing advantages, perovskite optoelectronic materials suffer from several drawbacks that need to be overcome before the technology becomes industrially relevant and hence achieve long-term application. Chief among these are the sensitivity of the structure toward moisture and crystal phase transitions in the device operation regime, unreliable device performance dictated by the operation history of the device, that is, hysteresis, the inherent toxicity of the structure, and the high cost of the employed charge selective contacts. In this Account, we highlight recent advances toward the long-term viability of perovskite photovoltaics. We identify material decomposition routes and suggest strategies to prevent damage to the structure. In particular, we focus on the effect of moisture upon the structure and stabilization of the material to avoid phase transitions in the solar cell operating range. Furthermore, we show strategies to achieve low-cost chemistries for the development of hole transporters for perovskite solar cells, necessary to be able to compete with other

  6. Horizontal high speed stacking for batteries with prismatic cans

    DOEpatents

    Bartos, Andrew L.; Lin, Yhu-Tin; Turner, III, Raymond D.

    2016-06-14

    A system and method for stacking battery cells or related assembled components. Generally planar, rectangular (prismatic-shaped) battery cells are moved from an as-received generally vertical stacking orientation to a generally horizontal stacking orientation without the need for robotic pick-and-place equipment. The system includes numerous conveyor belts that work in cooperation with one another to deliver, rotate and stack the cells or their affiliated assemblies. The belts are outfitted with components to facilitate the cell transport and rotation. The coordinated movement between the belts and the components promote the orderly transport and rotation of the cells from a substantially vertical stacking orientation into a substantially horizontal stacking orientation. The approach of the present invention helps keep the stacked assemblies stable so that subsequent assembly steps--such as compressing the cells or attaching electrical leads or thermal management components--may proceed with a reduced chance of error.

  7. Short protection device for stack of electrolytic cells

    DOEpatents

    Katz, Murray; Schroll, Craig R.

    1985-10-22

    Electrical short protection is provided in an electrolytic cell stack by the combination of a thin, nonporous ceramic shield and a noble metal foil disposed on opposite sides of the sealing medium in a gas manifold gasket. The thin ceramic shield, such as alumina, is placed between the porous gasket and the cell stack face at the margins of the negative end plate to the most negative cells to impede ion current flow. The noble metal foil, for instance gold, is electrically coupled to the negative potential of the stack to collect positive ions at a harmless location away from the stack face. Consequently, corrosion products from the stack structure deposit on the foil rather than on the stack face to eliminate electrical shorting of cells at the negative end of the stack.

  8. A review of polymer electrolyte membrane fuel cell stack testing

    NASA Astrophysics Data System (ADS)

    Miller, M.; Bazylak, A.

    This paper presents an overview of polymer electrolyte membrane fuel cell (PEMFC) stack testing. Stack testing is critical for evaluating and demonstrating the viability and durability required for commercial applications. Single cell performance cannot be employed alone to fully derive the expected performance of PEMFC stacks, due to the non-uniformity in potential, temperature, and reactant and product flow distributions observed in stacks. In this paper, we provide a comprehensive review of the state-of-the art in PEMFC testing. We discuss the main topics of investigation, including single cell vs. stack-level performance, cell voltage uniformity, influence of operating conditions, durability and degradation, dynamic operation, and stack demonstrations. We also present opportunities for future work, including the need to verify the impact of stack size and cell voltage uniformity on performance, determine operating conditions for achieving a balance between electrical efficiency and flooding/dry-out, meet lifetime requirements through endurance testing, and develop a stronger understanding of degradation.

  9. Elusive Presence of Chloride in Mixed Halide Perovskite Solar Cells.

    PubMed

    Colella, Silvia; Mosconi, Edoardo; Pellegrino, Giovanna; Alberti, Alessandra; Guerra, Valentino L P; Masi, Sofia; Listorti, Andrea; Rizzo, Aurora; Condorelli, Guglielmo Guido; De Angelis, Filippo; Gigli, Giuseppe

    2014-10-16

    The role of chloride in the MAPbI3-xClx perovskite is still limitedly understood, albeit subjected of much debate. Here, we present a combined angle-resolved X-ray photoelectron spectroscopy (AR-XPS) and first-principles DFT modeling to investigate the MAPbI3-xClx/TiO2 interface. AR-XPS analyses carried out on ad hoc designed bilayers of MAPbI3-xClx perovskite deposited onto a flat TiO2 substrate reveal that the chloride is preferentially located in close proximity to the perovskite/TiO2 interface. DFT calculations indicate the preferential location of chloride at the TiO2 interface compared to the bulk perovskite due to an increased chloride-TiO2 surface affinity. Furthermore, our calculations clearly demonstrate an interfacial chloride-induced band bending, creating a directional "electron funnel" that may improve the charge collection efficiency of the device and possibly affecting also recombination pathways. Our findings represent a step forward to the rationalization of the peculiar properties of mixed halide perovskite, allowing one to further address material and device design issues. PMID:26278605

  10. Ion-exchangeable, electronically conducting layered perovskite oxyfluorides.

    PubMed

    Kobayashi, Yoji; Tian, Mingliang; Eguchi, Miharu; Mallouk, Thomas E

    2009-07-22

    Cation-exchangeable d(0) layered perovskites are amenable to intercalation, exfoliation, and a variety of topochemical reactions, but they lack the interesting electronic and magnetic functionalities of mixed-valent perovskites. Conversely, electronically and magnetically interesting layered perovskites lack scope in terms of interlayer chemistry. To bridge this gap, the insulating, cation-exchangeable layered perovskites RbLaNb(2)O(7), KCa(2)Nb(3)O(10), and NaYTiO(4) were reacted with poly(tetrafluoroethylene) under inert atmosphere conditions to yield layer perovskites in which some of the oxygen is substituted by fluorine. In the fluorinated materials, the B-site cations are reduced to a mixed-valent state without introducing oxygen vacancies into the anion sublattice. The resulting electronically conducting solids can be exposed to air and water and even ion-exchanged in acid without oxidation of the B-site cations. Electronic transport measurements on the air-stable RbLaNb(2)O(6)F reveal room-temperature conductivity (2-7 x 10(2) ohms x cm) via a variable-range hopping mechanism, which is not substantially changed after aqueous proton exchange to H(1-x)Rb(x)LaNb(2)O(6)F (x approximately = 0.2). PMID:19548670

  11. Novel materials for stable perovskite solar cells (Presentation Recording)

    NASA Astrophysics Data System (ADS)

    Abate, Antonio

    2015-09-01

    Organic-inorganic perovskites are quickly overrunning research activities in new materials for cost-effective and high-efficiency photovoltaic technologies. Since the first demonstration from Kojima and co-workers in 2009, several perovskite-based solar cells have been reported and certified with rapidly improving power conversion efficiency. Recent reports demonstrate that perovskites can compete with the most efficient inorganic materials, while they still allow processing from solution as potential advantage to deliver a cost-effective solar technology. Compare to the impressive progress in power conversion efficiency, stability studies are rather poor and often controversial. An intrinsic complication comes from the fact that the stability of perovskite solar cells is strongly affected by any small difference in the device architecture, preparation procedure, materials composition and testing procedure. In the present talk we will focus on the stability of perovskite solar cells in working condition. We will discuss a measuring protocol to extract reliable and reproducible ageing data. We will present new materials and preparation procedures which improve the device lifetime without giving up on high power conversion efficiency.

  12. Integrated perovskite/bulk-heterojunction toward efficient solar cells.

    PubMed

    Liu, Yongsheng; Hong, Ziruo; Chen, Qi; Chang, Weihsuan; Zhou, Huanping; Song, Tze-Bin; Young, Eric; Yang, Yang Michael; You, Jingbi; Li, Gang; Yang, Yang

    2015-01-14

    We successfully demonstrated an integrated perovskite/bulk-heterojunction (BHJ) photovoltaic device for efficient light harvesting and energy conversion. Our device efficiently integrated two photovoltaic layers, namely a perovskite film and organic BHJ film, into the device. The device structure is ITO/TiO2/perovskite/BHJ/MoO3/Ag. A wide bandgap small molecule DOR3T-TBDT was used as donor in the BHJ film, and a power conversion efficiency (PCE) of 14.3% was achieved in the integrated device with a high short circuit current density (JSC) of 21.2 mA cm(-2). The higher JSC as compared to that of the traditional perovskite/HTL (hole transporting layer) device (19.3 mA cm(-2)) indicates that the BHJ film absorbs light and contributes to the current density of the device. Our result further suggests that the HTL in traditional perovskite solar cell, even with good light absorption capability, cannot contribute to the overall device photocurrent, unless this HTL becomes a BHJ layer (by adding electron transporting material like PC71BM). PMID:25513830

  13. Planar-integrated single-crystalline perovskite photodetectors.

    PubMed

    Saidaminov, Makhsud I; Adinolfi, Valerio; Comin, Riccardo; Abdelhady, Ahmed L; Peng, Wei; Dursun, Ibrahim; Yuan, Mingjian; Hoogland, Sjoerd; Sargent, Edward H; Bakr, Osman M

    2015-01-01

    Hybrid perovskites are promising semiconductors for optoelectronic applications. However, they suffer from morphological disorder that limits their optoelectronic properties and, ultimately, device performance. Recently, perovskite single crystals have been shown to overcome this problem and exhibit impressive improvements: low trap density, low intrinsic carrier concentration, high mobility, and long diffusion length that outperform perovskite-based thin films. These characteristics make the material ideal for realizing photodetection that is simultaneously fast and sensitive; unfortunately, these macroscopic single crystals cannot be grown on a planar substrate, curtailing their potential for optoelectronic integration. Here we produce large-area planar-integrated films made up of large perovskite single crystals. These crystalline films exhibit mobility and diffusion length comparable with those of single crystals. Using this technique, we produced a high-performance light detector showing high gain (above 10(4) electrons per photon) and high gain-bandwidth product (above 10(8) Hz) relative to other perovskite-based optical sensors. PMID:26548941

  14. Interface and Composition Analysis on Perovskite Solar Cells.

    PubMed

    Matteocci, Fabio; Busby, Yan; Pireaux, Jean-Jacques; Divitini, Giorgio; Cacovich, Stefania; Ducati, Caterina; Di Carlo, Aldo

    2015-12-01

    Organometal halide (hybrid) perovskite solar cells have been fabricated following four different deposition procedures and investigated in order to find correlations between the solar cell characteristics/performance and their structure and composition as determined by combining depth-resolved imaging with time-of-flight secondary ion mass spectrometry (ToF-SIMS), X-ray photoelectron spectroscopy (XPS), and analytical scanning transmission electron microscopy (STEM). The interface quality is found to be strongly affected by the perovskite deposition procedure, and in particular from the environment where the conversion of the starting precursors into the final perovskite is performed (air, nitrogen, or vacuum). The conversion efficiency of the precursors into the hybrid perovskite layer is compared between the different solar cells by looking at the ToF-SIMS intensities of the characteristic molecular fragments from the perovskite and the precursor materials. Energy dispersive X-ray spectroscopy in the STEM confirms the macroscopic ToF-SIMS findings and allows elemental mapping with nanometer resolution. Clear evidence for iodine diffusion has been observed and related to the fabrication procedure. PMID:26523427

  15. Electron-phonon coupling in hybrid lead halide perovskites.

    PubMed

    Wright, Adam D; Verdi, Carla; Milot, Rebecca L; Eperon, Giles E; Pérez-Osorio, Miguel A; Snaith, Henry J; Giustino, Feliciano; Johnston, Michael B; Herz, Laura M

    2016-01-01

    Phonon scattering limits charge-carrier mobilities and governs emission line broadening in hybrid metal halide perovskites. Establishing how charge carriers interact with phonons in these materials is therefore essential for the development of high-efficiency perovskite photovoltaics and low-cost lasers. Here we investigate the temperature dependence of emission line broadening in the four commonly studied formamidinium and methylammonium perovskites, HC(NH2)2PbI3, HC(NH2)2PbBr3, CH3NH3PbI3 and CH3NH3PbBr3, and discover that scattering from longitudinal optical phonons via the Fröhlich interaction is the dominant source of electron-phonon coupling near room temperature, with scattering off acoustic phonons negligible. We determine energies for the interacting longitudinal optical phonon modes to be 11.5 and 15.3 meV, and Fröhlich coupling constants of ∼40 and 60 meV for the lead iodide and bromide perovskites, respectively. Our findings correlate well with first-principles calculations based on many-body perturbation theory, which underlines the suitability of an electronic band-structure picture for describing charge carriers in hybrid perovskites. PMID:27225329

  16. Degradation of organometallic perovskite solar cells induced by trap states

    NASA Astrophysics Data System (ADS)

    Song, Dandan; Ji, Jun; Li, Yaoyao; Li, Guanying; Li, Meicheng; Wang, Tianyue; Wei, Dong; Cui, Peng; He, Yue; Mbengue, Joseph Michel

    2016-02-01

    The degradation of organometallic perovskite solar cells (PSCs) is the key bottleneck hampering their development, which is typically ascribed to the decomposition of perovskite (CH3NH3PbI3). In this work, the degradation of PSCs is observed to be significant, with the decrease in efficiency from 18.2% to 11.5% in ambient air for 7 days. However, no obvious decomposition or structural evolution of the perovskite was observed, except the notable degradation phenomenon of the device. The degradation of PSCs derives from deteriorated photocurrent and fill factor, which are proven to be induced by increased trap states for enlarged carrier recombination in degraded PSCs. The increased trap states in PSCs over storage time are probably induced by the increased defects at the surface of perovskite. The trap states induced degradation provides a physical insight into the degradation mechanisms of PSCs. Moreover, as the investigations were performed on real PSCs instead of individual perovskite films, the findings here present one of their actual degradation mechanisms.

  17. Halide Perovskites: Poor Man's High-Performance Semiconductors.

    PubMed

    Stoumpos, Constantinos C; Kanatzidis, Mercouri G

    2016-07-01

    Halide perovskites are a rapidly developing class of medium-bandgap semiconductors which, to date, have been popularized on account of their remarkable success in solid-state heterojunction solar cells raising the photovoltaic efficiency to 20% within the last 5 years. As the physical properties of the materials are being explored, it is becoming apparent that the photovoltaic performance of the halide perovskites is just but one aspect of the wealth of opportunities that these compounds offer as high-performance semiconductors. From unique optical and electrical properties stemming from their characteristic electronic structure to highly efficient real-life technological applications, halide perovskites constitute a brand new class of materials with exotic properties awaiting discovery. The nature of halide perovskites from the materials' viewpoint is discussed here, enlisting the most important classes of the compounds and describing their most exciting properties. The topics covered focus on the optical and electrical properties highlighting some of the milestone achievements reported to date but also addressing controversies in the vastly expanding halide perovskite literature. PMID:27174223

  18. Electron–phonon coupling in hybrid lead halide perovskites

    PubMed Central

    Wright, Adam D.; Verdi, Carla; Milot, Rebecca L.; Eperon, Giles E.; Pérez-Osorio, Miguel A.; Snaith, Henry J.; Giustino, Feliciano; Johnston, Michael B.; Herz, Laura M.

    2016-01-01

    Phonon scattering limits charge-carrier mobilities and governs emission line broadening in hybrid metal halide perovskites. Establishing how charge carriers interact with phonons in these materials is therefore essential for the development of high-efficiency perovskite photovoltaics and low-cost lasers. Here we investigate the temperature dependence of emission line broadening in the four commonly studied formamidinium and methylammonium perovskites, HC(NH2)2PbI3, HC(NH2)2PbBr3, CH3NH3PbI3 and CH3NH3PbBr3, and discover that scattering from longitudinal optical phonons via the Fröhlich interaction is the dominant source of electron–phonon coupling near room temperature, with scattering off acoustic phonons negligible. We determine energies for the interacting longitudinal optical phonon modes to be 11.5 and 15.3 meV, and Fröhlich coupling constants of ∼40 and 60 meV for the lead iodide and bromide perovskites, respectively. Our findings correlate well with first-principles calculations based on many-body perturbation theory, which underlines the suitability of an electronic band-structure picture for describing charge carriers in hybrid perovskites. PMID:27225329

  19. Employing Lead Thiocyanate Additive to Reduce the Hysteresis and Boost the Fill Factor of Planar Perovskite Solar Cells.

    PubMed

    Ke, Weijun; Xiao, Chuanxiao; Wang, Changlei; Saparov, Bayrammurad; Duan, Hsin-Sheng; Zhao, Dewei; Xiao, Zewen; Schulz, Philip; Harvey, Steven P; Liao, Weiqiang; Meng, Weiwei; Yu, Yue; Cimaroli, Alexander J; Jiang, Chun-Sheng; Zhu, Kai; Al-Jassim, Mowafak; Fang, Guojia; Mitzi, David B; Yan, Yanfa

    2016-07-01

    Lead thiocyanate in the perovskite precursor can increase the grain size of a perovskite thin film and reduce the conductivity of the grain boundaries, leading to perovskite solar cells with reduced hysteresis and enhanced fill factor. A planar perovskite solar cell with grain boundary and interface passivation achieves a steady-state efficiency of 18.42%. PMID:27145346

  20. CH3 NH3 PbBr3 -CH3 NH3 PbI3 Perovskite-Perovskite Tandem Solar Cells with Exceeding 2.2 V Open Circuit Voltage.

    PubMed

    Heo, Jin Hyuck; Im, Sang Hyuk

    2016-07-01

    Perovskite-perovskite tandem solar cells with open-circuit voltages of over 2.2 V are reported. These cost-effective, solution-processible perovskite hybrid tandem solar cells with high open-circuit voltages are fabricated by the simple lamination of a front planar MAPbBr3 perovskite cell and a back MAPbI3 planar perovskite solar cell. PMID:26505740