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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 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

  10. 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

  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. 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.

  4. 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.

  5. 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.

  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. 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.

  4. 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.

  5. 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.

  6. 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.

  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 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

  7. 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.

  8. 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.

  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. 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.

  11. 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.

  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. 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.

  15. 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.

  16. 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.

  17. 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

  18. 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

  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. 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

  13. 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.

  14. 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

  15. 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.

  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. 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

  18. 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

  19. 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.

  20. 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.

  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. 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.

  5. 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

  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. 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.

  11. 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.

  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. 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.

  16. 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.

  17. 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

  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. 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.

  3. 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.

  4. 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 ...

  5. 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.

  6. 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.

  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. 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.

  19. 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.

  20. 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.

  1. 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.

  2. 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.

  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. 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).

  11. 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.

  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

    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%.

  14. 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%.

  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. 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

  5. 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.

  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. 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).

  8. 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).

  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.