Generalized colloidal synthesis of high-quality, two-dimensional cesium lead halide perovskite nanosheets and their applications in photodetectors

Science.gov (United States)

Lv, Longfei; Xu, Yibing; Fang, Hehai; Luo, Wenjin; Xu, Fangjie; Liu, Limin; Wang, Biwei; Zhang, Xianfeng; Yang, Dong; Hu, Weida; Dong, Angang

2016-07-01

All-inorganic cesium lead halide perovskite (CsPbX3, X = Cl, Br, and I) nanocrystals (NCs) are emerging as an important class of semiconductor materials with superior photophysical properties and wide potential applications in optoelectronic devices. So far, only a few studies have been conducted to control the shape and geometry of CsPbX3 NCs. Here we report a general approach to directly synthesize two-dimensional (2D) CsPbX3 perovskite and mixed perovskite nanosheets with uniform and ultrathin thicknesses down to a few monolayers. The key to the high-yield synthesis of perovskite nanosheets is the development of a new Cs-oleate precursor. The as-synthesized CsPbX3 nanosheets exhibit bright photoluminescence with broad wavelength tunability by composition modulation. The excellent optoelectronic properties of CsPbX3 nanosheets combined with their unique 2D geometry and large lateral dimensions make them ideal building blocks for building functional devices. To demonstrate their potential applications in optoelectronics, photodetectors based on CsPbBr3 nanosheets are fabricated, which exhibit high on/off ratios with a fast response time.All-inorganic cesium lead halide perovskite (CsPbX3, X = Cl, Br, and I) nanocrystals (NCs) are emerging as an important class of semiconductor materials with superior photophysical properties and wide potential applications in optoelectronic devices. So far, only a few studies have been conducted to control the shape and geometry of CsPbX3 NCs. Here we report a general approach to directly synthesize two-dimensional (2D) CsPbX3 perovskite and mixed perovskite nanosheets with uniform and ultrathin thicknesses down to a few monolayers. The key to the high-yield synthesis of perovskite nanosheets is the development of a new Cs-oleate precursor. The as-synthesized CsPbX3 nanosheets exhibit bright photoluminescence with broad wavelength tunability by composition modulation. The excellent optoelectronic properties of CsPbX3 nanosheets

An Unusual Pseudo-Coordination Polymer of Dithia-18-Crown-6 with Heavy Metal

International Nuclear Information System (INIS)

Kang, Gyeongchan; Park, Inhyeok; Lee, Shimsung

2012-01-01

The assembly reactions of 1,10-dithia-18-crown-6 (L) with mercury(II) and/or cadmium(II) salts provide metallosupramolecules with the unusual arrangement due to the formation of the mercury(II) halides (chloride and iodide) clusters which locate outside the macrocyclic cavity. In the reaction with mercury(II) chloride, we were able to isolate the 1D pseudo-coordination polymer 1 which resembles the ivy leaves. In 1, it is considered that the 1D zigzag array of Hg-Cl-Hg-Cl chain as a leaf-stem and the macrocyclic complexes as leaves. While, from the reaction of mercury(II) iodide and cadmium(II) iodide mixture, the discrete complex 2 with two macrocyclic cadmium(II) complex cation parts and one mercury(II) iodide cluster anion part was isolated. In both cases, each metal center is seven-coordinate, being bound to all the donors of L, with its seventh site being occupied by one halide atom, adopting a distorted monocapped trigonal prism

An Unusual Pseudo-Coordination Polymer of Dithia-18-Crown-6 with Heavy Metal

Energy Technology Data Exchange (ETDEWEB)

Kang, Gyeongchan [Yeosu High School, Yeosu (Korea, Republic of); Park, Inhyeok; Lee, Shimsung [Gyeongsang National Univ., Jinju (Korea, Republic of)

2012-11-15

The assembly reactions of 1,10-dithia-18-crown-6 (L) with mercury(II) and/or cadmium(II) salts provide metallosupramolecules with the unusual arrangement due to the formation of the mercury(II) halides (chloride and iodide) clusters which locate outside the macrocyclic cavity. In the reaction with mercury(II) chloride, we were able to isolate the 1D pseudo-coordination polymer 1 which resembles the ivy leaves. In 1, it is considered that the 1D zigzag array of Hg-Cl-Hg-Cl chain as a leaf-stem and the macrocyclic complexes as leaves. While, from the reaction of mercury(II) iodide and cadmium(II) iodide mixture, the discrete complex 2 with two macrocyclic cadmium(II) complex cation parts and one mercury(II) iodide cluster anion part was isolated. In both cases, each metal center is seven-coordinate, being bound to all the donors of L, with its seventh site being occupied by one halide atom, adopting a distorted monocapped trigonal prism.

New hybrid lead iodides: From one-dimensional chain to two-dimensional layered perovskite structure

International Nuclear Information System (INIS)

Xiong, Kecai; Liu, Wei; Teat, Simon J.; An, Litao; Wang, Hao; Emge, Thomas J.; Li, Jing

2015-01-01

Two new hybrid lead halides (H 2 BDA)[PbI 4 ] (1) (H 2 BDA=1,4-butanediammonium dication) and (HNPEIM)[PbI 3 ] (2) (HNPEIM=N-​phenyl-ethanimidamidine cation) have been synthesized and structurally characterized. X-ray diffraction analyses reveal that compound 1 features a two-dimensional corner-sharing perovskite layer whereas compound 2 contains one-dimensional edge-sharing double chains. The N-​phenyl-ethanimidamidine cation within compound 2 was generated in-situ under solvothermal conditions. The optical absorption spectra collected at room temperature suggest that both compounds are semiconductors having direct band gaps, with estimated values of 2.64 and 2.73 eV for 1 and 2, respectively. Results from the density functional theory (DFT) calculations are consistent with the experimental data. Density of states (DOS) analysis reveals that in both compounds 1 and 2, the energy states in the valence band maximum region are iodine 5p atomic orbitals with a small contribution from lead 6s, while in the region of conduction band minimum, the major contributions are from the inorganic (Pb 6p atomic orbitals) and organic components (C and N 2p atomic orbitals) in compound 1 and 2, respectively. - Graphical abstract: Two new hybrid lead halides built on one-dimensional edge-sharing double chains and two-dimensional corner-sharing perovskite layers are synthesized and their structural and electronic properties are analyzed. - Highlights: • Two new hybrid lead iodides are designed, synthesized, and characterized. • They are closely related to, but different from, perovskite structures. • The electronic properties of both compounds are analyzed by DFT calculations

New hybrid lead iodides: From one-dimensional chain to two-dimensional layered perovskite structure

Energy Technology Data Exchange (ETDEWEB)

Xiong, Kecai; Liu, Wei [Department of Chemistry and Chemical Biology, Rutgers University, 610 Taylor Road, Piscataway, NJ 08854 (United States); Teat, Simon J. [Advanced Light Source, Lawrence Berkeley National Laboratory, Berkeley, CA 94720 (United States); An, Litao; Wang, Hao; Emge, Thomas J. [Department of Chemistry and Chemical Biology, Rutgers University, 610 Taylor Road, Piscataway, NJ 08854 (United States); Li, Jing, E-mail: jingli@rutgers.edu [Department of Chemistry and Chemical Biology, Rutgers University, 610 Taylor Road, Piscataway, NJ 08854 (United States)

2015-10-15

Two new hybrid lead halides (H{sub 2}BDA)[PbI{sub 4}] (1) (H{sub 2}BDA=1,4-butanediammonium dication) and (HNPEIM)[PbI{sub 3}] (2) (HNPEIM=N-​phenyl-ethanimidamidine cation) have been synthesized and structurally characterized. X-ray diffraction analyses reveal that compound 1 features a two-dimensional corner-sharing perovskite layer whereas compound 2 contains one-dimensional edge-sharing double chains. The N-​phenyl-ethanimidamidine cation within compound 2 was generated in-situ under solvothermal conditions. The optical absorption spectra collected at room temperature suggest that both compounds are semiconductors having direct band gaps, with estimated values of 2.64 and 2.73 eV for 1 and 2, respectively. Results from the density functional theory (DFT) calculations are consistent with the experimental data. Density of states (DOS) analysis reveals that in both compounds 1 and 2, the energy states in the valence band maximum region are iodine 5p atomic orbitals with a small contribution from lead 6s, while in the region of conduction band minimum, the major contributions are from the inorganic (Pb 6p atomic orbitals) and organic components (C and N 2p atomic orbitals) in compound 1 and 2, respectively. - Graphical abstract: Two new hybrid lead halides built on one-dimensional edge-sharing double chains and two-dimensional corner-sharing perovskite layers are synthesized and their structural and electronic properties are analyzed. - Highlights: • Two new hybrid lead iodides are designed, synthesized, and characterized. • They are closely related to, but different from, perovskite structures. • The electronic properties of both compounds are analyzed by DFT calculations.

One-dimensional organic lead halide perovskites with efficient bluish white-light emission

Science.gov (United States)

Yuan, Zhao; Zhou, Chenkun; Tian, Yu; Shu, Yu; Messier, Joshua; Wang, Jamie C.; van de Burgt, Lambertus J.; Kountouriotis, Konstantinos; Xin, Yan; Holt, Ethan; Schanze, Kirk; Clark, Ronald; Siegrist, Theo; Ma, Biwu

2017-01-01

Organic-inorganic hybrid metal halide perovskites, an emerging class of solution processable photoactive materials, welcome a new member with a one-dimensional structure. Herein we report the synthesis, crystal structure and photophysical properties of one-dimensional organic lead bromide perovskites, C4N2H14PbBr4, in which the edge sharing octahedral lead bromide chains [PbBr4 2-]∞ are surrounded by the organic cations C4N2H14 2+ to form the bulk assembly of core-shell quantum wires. This unique one-dimensional structure enables strong quantum confinement with the formation of self-trapped excited states that give efficient bluish white-light emissions with photoluminescence quantum efficiencies of approximately 20% for the bulk single crystals and 12% for the microscale crystals. This work verifies once again that one-dimensional systems are favourable for exciton self-trapping to produce highly efficient below-gap broadband luminescence, and opens up a new route towards superior light emitters based on bulk quantum materials.

Stable biexcitons in two-dimensional metal-halide perovskites with strong dynamic lattice disorder

Science.gov (United States)

Thouin, Félix; Neutzner, Stefanie; Cortecchia, Daniele; Dragomir, Vlad Alexandru; Soci, Cesare; Salim, Teddy; Lam, Yeng Ming; Leonelli, Richard; Petrozza, Annamaria; Kandada, Ajay Ram Srimath; Silva, Carlos

2018-03-01

With strongly bound and stable excitons at room temperature, single-layer, two-dimensional organic-inorganic hybrid perovskites are viable semiconductors for light-emitting quantum optoelectronics applications. In such a technological context, it is imperative to comprehensively explore all the factors—chemical, electronic, and structural—that govern strong multiexciton correlations. Here, by means of two-dimensional coherent spectroscopy, we examine excitonic many-body effects in pure, single-layer (PEA) 2PbI4 (PEA = phenylethylammonium). We determine the binding energy of biexcitons—correlated two-electron, two-hole quasiparticles—to be 44 ±5 meV at room temperature. The extraordinarily high values are similar to those reported in other strongly excitonic two-dimensional materials such as transition-metal dichalcogenides. Importantly, we show that this binding energy increases by ˜25 % upon cooling to 5 K. Our work highlights the importance of multiexciton correlations in this class of technologically promising, solution-processable materials, in spite of the strong effects of lattice fluctuations and dynamic disorder.

Removal of cadmium(II) from aqueous solutions by steam-activated ...

African Journals Online (AJOL)

Removal of cadmium(II) from aqueous solutions by steam-activated sulphurised carbon prepared from sugar-cane bagasse pith: kinetics and equilibrium studies. ... the maximum adsorption capacity of SA-S-C calculated by the Langmuir isotherm is 149.93 mg/g at 30°C. Acid regeneration was tried for several cycles with a ...

Luminescence properties of copper(I), zinc(II) and cadmium(II) coordination compounds with picoline ligands

Energy Technology Data Exchange (ETDEWEB)

Małecki, Jan Grzegorz, E-mail: gmalecki@us.edu.pl; Maroń, Anna

2017-06-15

Mononuclear coordination compounds of copper(I) – [Cu(PPh{sub 3}){sub 2}(picoline)(NO{sub 3})], zinc(II) – [ZnCl{sub 2}(picoline){sub 2}] (picoline=3– and 4–methylpyridine) and polymeric cadmium(II) – [CdCl{sub 2}(β-picoline){sub 2}]{sub n} were prepared and their luminescence properties in solid state and acetonitrile solutions were determined. Single crystal X-ray crystallography revealed distorted tetrahedral geometry around the central ions of the compounds. The compounds exhibit green photoluminescence in solid state and in acetonitrile solutions. The emission of copper(I) compounds originated from metal-to-ligand charge transfer state combined with nitrato-to-picoline charge transfer state i.e. ({sup 1}(M+X)LCT). The presence of nitrato ligand in the coordination sphere of copper(I) compounds quenches the emission. Luminescence of zinc(II) and cadmium(II) compounds results from chloride-to-picoline charge transfer state and the quantum efficiency in the case of the polymeric Cd(II) compound reaches 39%. The photoluminescence quantum yields of the mononuclear zinc(II) compounds vary from 10 to 16% depending on the conditions (solid state, solution). - Graphical abstract: Coordination compounds of copper(I), zinc(II) and polymeric cadmium(II) with picoline ligands were prepared and their luminescence properties in solid state and acetonitrile solutions were determined. The compounds exhibit green photoluminescence in solid state and in acetonitrile solutions. Emission of copper(I) compounds originated from {sup 1}(M+X)LCT state. Luminescence of zinc(II) and cadmium(II) compounds results from chloride-to-picoline charge transfer state and the quantum efficiency in the case of the polymeric Cd(II) compound reaches 39%. The photoluminescence quantum yields of the mononuclear zinc(II) compounds vary from 10 to 16% depending on the conditions (solid state, solution).

2-D images of the metal-halide lamp obtained by experiment and model

NARCIS (Netherlands)

Flikweert, A.J.; Beks, M.L.; Nimalasuriya, T.; Kroesen, G.M.W.; Mullen, van der J.J.A.M.; Stoffels, W.W.

2008-01-01

The metal-halide lamp shows color segregation caused by diffusion and convection. Two-dimensional imaging of the arc discharge under varying gravity conditions aids in the understanding of the flow phenomena. In this paper, we show results obtained by experiments and by numerical simulations in

Journal of Chemical Sciences | Indian Academy of Sciences

Indian Academy of Sciences (India)

Syntheses, structures and properties of two coordination polymers of Cadmium(II) pseudohalide containing an in situ generated bidentate Schiff base: Control of dimensionality by varying pseudohalides · More Details Abstract Fulltext PDF. Two neutral coordination polymers of Cadmium(II) pseudohalide of the type ...

Some thiocyanato complexes of cadmium(II) with substituted pyridines and imidazoles

Energy Technology Data Exchange (ETDEWEB)

Mishra, B P; Ramana Rao, D V [Regional Engineering Coll., Rourkela (India). Dept. of Chemistry

1979-05-01

The complexes formed by cadmium(II) thiocyanate with 3-acetyl-, 3-bromo-, 3-methyl-, 4-acetyl-, 4-cyano-, 4-benzoyl pyridines, isoquinoline, 3,5-lutidine and imidazole, 2-methyl imidazole, 2-methyl benzimidazoles have been characterised through elemental analysis and molar conductance data. On the basis of infra-red spectroscopic studies, probable structures are discussed.

Two-Dimensional Lead(II) Halide-Based Hybrid Perovskites Templated by Acene Alkylamines: Crystal Structures, Optical Properties, and Piezoelectricity.

Science.gov (United States)

Du, Ke-Zhao; Tu, Qing; Zhang, Xu; Han, Qiwei; Liu, Jie; Zauscher, Stefan; Mitzi, David B

2017-08-07

A series of two-dimensional (2D) hybrid organic-inorganic perovskite (HOIP) crystals, based on acene alkylamine cations (i.e., phenylmethylammonium (PMA), 2-phenylethylammonium (PEA), 1-(2-naphthyl)methanammonium (NMA), and 2-(2-naphthyl)ethanammonium (NEA)) and lead(II) halide (i.e., PbX 4 2- , X = Cl, Br, and I) frameworks, and their corresponding thin films were fabricated and examined for structure-property relationship. Several new or redetermined crystal structures are reported, including those for (NEA) 2 PbI 4 , (NEA) 2 PbBr 4 , (NMA) 2 PbBr 4 , (PMA) 2 PbBr 4 , and (PEA) 2 PbI 4 . Non-centrosymmetric structures from among these 2D HOIPs were confirmed by piezoresponse force microscopy-especially noteworthy is the structure of (PMA) 2 PbBr 4 , which was previously reported as centrosymmetric. Examination of the impact of organic cation and inorganic layer choice on the exciton absorption/emission properties, among the set of compounds considered, reveals that perovskite layer distortion (i.e., Pb-I-Pb bond angle between adjacent PbI 6 octahedra) has a more global effect on the exciton properties than octahedral distortion (i.e., variation of I-Pb-I bond angles and discrepancy among Pb-I bond lengths within each PbI 6 octahedron). In addition to the characteristic sharp exciton emission for each perovskite, (PMA) 2 PbCl 4 , (PEA) 2 PbCl 4 , (NMA) 2 PbCl 4 , and (PMA) 2 PbBr 4 exhibit separate, broad "white" emission in the long wavelength range. Piezoelectric compounds identified from these 2D HOIPs may be considered for future piezoresponse-type energy or electronic applications.

Halide/pseudohalide complexes of cadmium(II) with benzimidazole: Synthesis, crystal structures and fluorescence properties

Science.gov (United States)

Zhao, Hai-Yan; Yang, Fu-Li; Li, Na; Wang, Xiao-Jing

2017-11-01

Two new dinuclear Cd(II) complexes, [CdL1Cl2]2·H2O (1) and [CdL1(N3)2]2·CH3OH (2) and one dicyanamide bridged one-dimensional polynuclear network [CdL1(μ1,5-dca)dca]n (3) of the potentially tridentate NNN-donor Schiff base 2-((1H-benzimidazol-2-yl-ethylimino)-methyl)pyridine (L1) and another dinucler Cd(II) complex [CdL2Cl(dca)]2 (4) of a similar NNN-donor Schiff base ligand 2-((1H-benzimidazol-2-yl-propylimino)-methyl)pyridine (L2), have been synthesized and characterized by elemental analyses, IR and single crystal X-ray crystallography. The ligands L1 and L2 are [1 + 1] condensation products of pyridine-2-carbaldehyde with 2-aminoethyl-1H-benzimidazole and 2-aminopropyl-1H-benzimidazole, respectively. In the complexes 1 and 4 the two Cd(II) centers are held together by the bridged chloride ligands, while in 2 the two Cd(II) centers are bridged by μ1,1-azide ions. Complex 3 has a one-dimensional infinite chain structure in which Cd(II) ions are bridged by single dicyanamide groups in end-to-end fashion. All the metal centers have a distorted octahedral geometry and H-bonding or π⋯π interactions are operative to bind the complex units in the solid state. Furthermore, these complexes have been investigated by thermogravimetric analyses and fluorescence spectra.

Supported liquid membrane based removal of lead(II) and cadmium(II) from mixed feed: Conversion to solid waste by precipitation.

Science.gov (United States)

Bhatluri, Kamal Kumar; Manna, Mriganka Sekhar; Ghoshal, Aloke Kumar; Saha, Prabirkumar

2015-12-15

Simultaneous removal of two heavy metals, lead(II) and cadmium(II), from mixed feed using supported liquid membrane (SLM) based technique is investigated in this work. The carrier-solvent combination of "sodium salt of Di-2-ethylhexylphosphoric acid (D2EHPA) (4% w/w) in environmentally benign coconut oil" was immobilized into the pores of solid polymeric polyvinylidene fluoride (PVDF) support. Sodium carbonate (Na2CO3) was used as the stripping agent. Carbonate salts of lead(II) and cadmium(II) were formed in the stripping side interface and they were insoluble in water leading to precipitation inside the stripping solution. The transportation of solute is positively affected due to the precipitation. Lead(II) removal was found to be preferential due to its favorable electronic configuration. The conversion of the liquid waste to the solid one was added advantage for the final removal of hazardous heavy metals. Copyright © 2015 Elsevier B.V. All rights reserved.

Thiocyanate cadmium(II) complexes of 2,4,6-tri(2-pyridyl)-1,3,5-triazine – Synthesis, structure and luminescence properties

International Nuclear Information System (INIS)

Nawrot, I.; Machura, B.; Kruszynski, R.

2014-01-01

Two new thiocyanate cadmium(II) complexes of 2,4,6-tri(2-pyridyl)-1,3,5-triazine were synthesized and characterized. The resulted complexes [Cd(SCN)(NO 3 )(tptz)(H 2 O)] (1) and [Cd(SCN) 2 (tptz)(MeOH)] (2) were studied by IR, UV–vis spectroscopy and single crystal X-ray analysis. The luminescent properties of 1 and 2 were studied in solution and solid state and compared with the free ligand. To get detailed insight into the electronic structure and spectroscopic properties of [Cd(SCN)(NO 3 )(tptz)(H 2 O)] and [Cd(SCN) 2 (tptz)(MeOH)], the density functional theory (DFT) and time-dependent DFT (TD-DFT) calculations were performed. - Highlights: • Two novel thiocyanate cadmium(II) compounds of 2,4,6-tri(2-pyridyl)-1,3,5-triazine were synthesized. • The compounds were identified by IR, UV–vis spectroscopy and X-ray analysis. • The fluorescence properties of the complexes were examined and compared with the free ligand. • The electronic spectra were investigated at the TD-DFT level employing B3LYP/LANL2DZ

Photofragmentation of metal halides

International Nuclear Information System (INIS)

Veen, N.J.A. van.

1980-01-01

The author deals with photodissociation of molecules of alkali halides. It is shown that the total absorption cross section consists of two contributions arising from transitions to excited states of total electronic angular momentum Ω=0 + and Ω=1. From the inversion of the absorption continua potential energy curves of the excited states can be constructed in the Franck-Condon region. It is found that for all alkali halides the 0 + state is higher in energy than the Ω=1 state. Extensive studies are reported on three thallium halides, TlI, TlBr and TlCl at various wavelengths covering the near ultraviolet region. (Auth.)

Supported liquid membrane based removal of lead(II) and cadmium(II) from mixed feed: Conversion to solid waste by precipitation

Energy Technology Data Exchange (ETDEWEB)

Bhatluri, Kamal Kumar; Manna, Mriganka Sekhar; Ghoshal, Aloke Kumar; Saha, Prabirkumar, E-mail: p.saha@iitg.ac.in

2015-12-15

Highlights: • Simultaneous removal of two heavy metals lead and cadmium. • Conversion of liquid waste to solid precipitation. • Precipitation facilitates the metals transportation through LM. • Solidification of liquid waste minimizes the final removal of waste. - Abstract: Simultaneous removal of two heavy metals, lead(II) and cadmium(II), from mixed feed using supported liquid membrane (SLM) based technique is investigated in this work. The carrier-solvent combination of “sodium salt of Di-2-ethylhexylphosphoric acid (D2EHPA) (4% w/w) in environmentally benign coconut oil” was immobilized into the pores of solid polymeric polyvinylidene fluoride (PVDF) support. Sodium carbonate (Na{sub 2}CO{sub 3}) was used as the stripping agent. Carbonate salts of lead(II) and cadmium(II) were formed in the stripping side interface and they were insoluble in water leading to precipitation inside the stripping solution. The transportation of solute is positively affected due to the precipitation. Lead(II) removal was found to be preferential due to its favorable electronic configuration. The conversion of the liquid waste to the solid one was added advantage for the final removal of hazardous heavy metals.

Multi-metals column adsorption of lead(II), cadmium(II) and manganese(II) onto natural bentonite clay.

Science.gov (United States)

Alexander, Jock Asanja; Surajudeen, Abdulsalam; Aliyu, El-Nafaty Usman; Omeiza, Aroke Umar; Zaini, Muhammad Abbas Ahmad

2017-10-01

The present work was aimed at evaluating the multi-metals column adsorption of lead(II), cadmium(II) and manganese(II) ions onto natural bentonite. The bentonite clay adsorbent was characterized for physical and chemical properties using X-ray diffraction, X-ray fluorescence, Brunauer-Emmett-Teller surface area and cation exchange capacity. The column performance was evaluated using adsorbent bed height of 5.0 cm, with varying influent concentrations (10 mg/L and 50 mg/L) and flow rates (1.4 mL/min and 2.4 mL/min). The result shows that the breakthrough time for all metal ions ranged from 50 to 480 minutes. The maximum adsorption capacity was obtained at initial concentration of 10 mg/L and flow rate of 1.4 mL/min, with 2.22 mg/g of lead(II), 1.71 mg/g of cadmium(II) and 0.37 mg/g of manganese(II). The order of metal ions removal by natural bentonite is lead(II) > cadmium(II) > manganese(II). The sorption performance and the dynamic behaviour of the column were predicted using Adams-Bohart, Thomas, and Yoon-Nelson models. The linear regression analysis demonstrated that the Thomas and Yoon-Nelson models fitted well with the column adsorption data for all metal ions. The natural bentonite was effective for the treatment of wastewater laden with multi-metals, and the process parameters obtained from this work can be used at the industrial scale.

Possible configuration of two-knot auto-localized exciton in strainless and deformed alkali halide crystals

International Nuclear Information System (INIS)

Dzhumanov, S.; Tulepbergenov, S.K.; Shunkeev, K.Sh.

2002-01-01

In the paper molecular component of two-knot auto-localized exciton (TALE) occupying centrosymmetric state in alkali halide crystal cubic lattice with local D 2h symmetry is considered. In is suggested that the symmetry lowering of forming small radius auto-localized exciton (ALE) is realizing in order configuration transformation by the scenario: multi-knot continual ALE (with O h symmetry)→six-halide ALE (with O h symmetry)→TALE (with O h symmetry) or by the scenario O h →D 2h . Then for TALE with local D 2h symmetry normal molecular ion shifts are considered as well

Investigation of sodalites for conditioning halide salts (NaCl and NaI): Comparison of two synthesis routes

Energy Technology Data Exchange (ETDEWEB)

Bardez, Isabelle; Campayo, Lionel; Rigaud, Danielle; Chartier, Myriam; Calvet, Aurelie [CEA, Laboratoire d' Etudes des Materiaux Ceramiques pour le Conditionnement, Site de Marcoule, Batiment 208, B.P. 17171, 30207 Bagnols sur Ceze cedex (France)

2008-07-01

Sodalites with the general formula Na{sub 8}Al{sub 6}Si{sub 6}O{sub 24}X{sub 2} (where X = Cl or I) were investigated for ceramic conditioning of halide salts (NaCl and NaI). Because of the tendency of halides to volatilize at high temperature, two synthesis routes were tested to optimize the halide content in the sodalite phase. The first is based on heating at high temperature of a [nepheline NaAlSiO{sub 4} + salt] mixture prepared by a dry process. The second, performed at low temperature, consists of the reaction in aqueous media between kaolinite (Al{sub 2}Si{sub 2}O{sub 5}(OH){sub 4}), sodium hydroxide (NaOH) and the salt. The present study compares these two syntheses and examines differences between chloro-sodalite and iodo-sodalite based on X-ray diffraction and infrared spectroscopy. The next step will consist in sintering the resulting powder samples to obtain dense ceramics. (authors)

Porphyrin-functionalized porous polysulfone membrane towards an optical sensor membrane for sorption and detection of cadmium(II)

Energy Technology Data Exchange (ETDEWEB)

Zhao, Lizhi, E-mail: zhaolizhi_phd@163.com [State Key Laboratory of Separation Membranes and Membrane Processes, School of Materials Science and Engineering, Tianjin Polytechnic University, Tianjin 300387 (China); Li, Min; Liu, Manman; Zhang, Yuecong [State Key Laboratory of Separation Membranes and Membrane Processes, School of Materials Science and Engineering, Tianjin Polytechnic University, Tianjin 300387 (China); Wu, Chenglin [School of Pharmaceutical and Chemical Engineering, Taizhou University, Taizhou 317000, Zhejiang Province (China); Zhang, Yuzhong, E-mail: zhangyz2004cn@163.com [State Key Laboratory of Separation Membranes and Membrane Processes, School of Materials Science and Engineering, Tianjin Polytechnic University, Tianjin 300387 (China)

2016-01-15

Highlights: • An optical sensor membrane is prepared by TMPyP and PNaSS-grafted PSF membrane. • The optical sensor membrane shows enhanced sorption for cadmium(II). • Visual and spectrophotometric detection can be achieved. • The functional membrane exhibits good stability and reusability. - Abstract: In this study, an optical sensor membrane was prepared for sorption and detection of cadmium(II) (Cd(II)) in aqueous solution. A polyanion, poly(sodium 4-styrenesulfonate) (PNaSS), was grafted onto the chloromethylated polysulfone (CMPSF) microporous membrane via surface-initiated ATRP. 5,10,15,20-tetrakis(4-N-methylpyridyl) porphyrin p-toluenesulfonate (TMPyP) was immobilized onto the PNaSS-grafted polysulfone (PSF-PNaSS) membrane through electrostatic interaction. The TMPyP-functionalized membrane exhibited an enhanced sorption for, and distinct color and spectral response to cadmium(II) (Cd(II)) in aqueous solution. Larger immobilization capacity of TMPyP on the membrane led to stronger sorption for Cd(II), and smaller one made the optical sensor have a faster (in minutes) and more sensitive response to the ion. The detection limit study indicated that the functional membrane with proper amount of TMPyP (<0.5 mg/g) could still have color and spectral response to Cd(II) solutions at an extreme low concentration (10{sup −4} mg/L). The optical sensor membrane exhibited good stability and reusability which made it efficient for various sorptive removal and detection applications.

Water-Induced Dimensionality Reduction in Metal-Halide Perovskites

KAUST Repository

Turedi, Bekir; Lee, Kwangjae; Dursun, Ibrahim; Alamer, Badriah Jaber; Wu, Zhennan; Alarousu, Erkki; Mohammed, Omar F.; Cho, Namchul; Bakr, Osman

2018-01-01

. Here we employ water to directly transform films of the three-dimensional (3D) perovskite CsPbBr3 to stable two-dimensional (2D) perovskite-related CsPb2Br5. A sequential dissolution-recrystallization process governs this water induced transformation

Advances and Promises of Layered Halide Hybrid Perovskite Semiconductors

NARCIS (Netherlands)

Pedesseau, Laurent; Sapori, Daniel; Traore, Boubacar; Robles, Roberto; Fang, Hong-Hua; Loi, Maria Antonietta; Tsai, Hsinhan; Nie, Wanyi; Blancon, Jean-Christophe; Neukirch, Amanda; Tretiak, Sergei; Mohite, Aditya D.; Katan, Claudine; Even, Jacky; Kepenekian, Mikael

2016-01-01

Layered halide hybrid organic inorganic perovskites (HOP) have been the subject of intense investigation before the rise of three-dimensional (3D) HOP and their impressive performance in solar cells. Recently, layered HOP have also been proposed as attractive alternatives for photostable solar cells

Electrochemical Microsensors for the Detection of Cadmium(II and Lead(II Ions in Plants

Directory of Open Access Journals (Sweden)

Olga Krystofova

2010-05-01

Full Text Available Routine determination of trace metals in complex media is still a difficult task for many analytical instruments. The aim of this work was to compare three electro-chemical instruments [a standard potentiostat (Autolab, a commercially available miniaturized potentiostat (PalmSens and a homemade micropotentiostat] for easy-to-use and sensitive determination of cadmium(II and lead(II ions. The lowest detection limits (hundreds of pM for both metals was achieved by using of the standard potentiostat, followed by the miniaturized potentiostat (tens of nM and the homemade instrument (hundreds of nM. Nevertheless, all potentiostats were sensitive enough to evaluate contamination of the environment, because the environmental limits for both metals are higher than detection limits of the instruments. Further, we tested all used potentiostats and working electrodes on analysis of environmental samples (rainwater, flour and plant extract with artificially added cadmium(II and lead(II. Based on the similar results obtained for all potentiostats we choose a homemade instrument with a carbon tip working electrode for our subsequent environmental experiments, in which we analyzed maize and sunflower seedlings and rainwater obtained from various sites in the Czech Republic.

Broadband Emission in Two-Dimensional Hybrid Perovskites: The Role of Structural Deformation.

Science.gov (United States)

Cortecchia, Daniele; Neutzner, Stefanie; Srimath Kandada, Ajay Ram; Mosconi, Edoardo; Meggiolaro, Daniele; De Angelis, Filippo; Soci, Cesare; Petrozza, Annamaria

2017-01-11

Only a selected group of two-dimensional (2D) lead-halide perovskites shows a peculiar broad-band photoluminescence. Here we show that the structural distortions of the perovskite lattice can determine the defectivity of the material by modulating the defect formation energies. By selecting and comparing two archetype systems, namely, (NBT) 2 PbI 4 and (EDBE)PbI 4 perovskites (NBT = n-butylammonium and EDBE = 2,2-(ethylenedioxy)bis(ethylammonium)), we find that only the latter, subject to larger deformation of the Pb-X bond length and X-Pb-X bond angles, sees the formation of V F color centers whose radiative decay ultimately leads to broadened PL. These findings highlight the importance of structural engineering to control the optoelectronic properties of this class of soft materials.

A one-dimensional cadmium(II complex supported by a sulfur–nitrogen mixed-donor ligand

Directory of Open Access Journals (Sweden)

Qian Gao

2009-07-01

Full Text Available In the title compound, catena-poly[cadmium(II-bis(μ-5-amino-1,3,4-thiadiazole-2-thiolato-κ2N3:S2;κ2S2:N3], [Cd(C2H2N3S22]n, the CdII ion is coordinated by two N atoms of the 1,3,4-thiadiazole rings from two ligands and two S atoms of sulfhydryl from two other ligands in a slightly distorted tetrahedral geometry. The ligands bridge CdII ions, forming one-dimensional chains along [001], which are connected by N—H...N and N—H...S hydrogen bonds into a three-dimensional network.

The two-dimensional thiophosphate CsCrP2S7

Directory of Open Access Journals (Sweden)

Kyounghee Kim

2010-09-01

Full Text Available The quaternary title compound, caesium chromium(III heptathiodiphosphate(V, CsCrP2S7, has been synthesized using the reactive halide flux method. It is isotypic with other AMP2S7 (A = alkali metal; M = Cr, V or In structures and consists of two-dimensional ∞2[CrP2S7]− layers extending parallel to (001 which are separated from each other by Cs+ ions (symmetry 2. The layer is built up from slightly distorted octahedral [CrS6] units (symmetry 2 and bent [P2S7] units consisting of two corner-sharing [PS4] tetrahedra. The [CrS6] octahedra share two edges and two corners with the [PS4] tetrahedra. There are only van der Waals interactions present between the layers. The Cs+ ions are located in this van der Waals gap and stabilize the structure through weak ionic interactions. The classical charge balance of the title compound can be expressed as [Cs+][Cr3+][P5+]2[S2−]7.

Synthesis and Crystal Structure of Dinuclear Cadmium(II) Complex with Dipodal Ligand

International Nuclear Information System (INIS)

Kang, Young Jin; Moon, Suk Hee; Byun, Jong Chul; Park, Ki Min

2010-01-01

the preparation and structural characterization of the discrete dinuclear cadmium(II) complex with the formula [Cd(μ 2 -Cl) 2 Cl 2 ]· 2 (H 2 O)·0.5(CH 3 OH)·0.5(CH 3 CN) obtained from the reaction of CdCl 2 ·2.5H 2 O and podal ligand with quinoline end-groups has been reported. In two cadmium ions are triply bridged by two chloride and one donor atoms of ligand L and adopt distorted pentagonal bipyramidal geometries with seven coordinations. It is notable that example of discrete dinuclear complex which one podal ligand accommodates simultaneously two metal ions is very rare. During the last four decades, the chemistry of macrocyclic and non-cyclic polyethers has attracted an increasing attention because of their selective complexation, cation transport and enzyme chemistry. In the field of coordination chemistry, generally, non-cyclic, crown-type polyether affords the low complexation ability because of its conformational freedom while macrocyclic polyethers such as 18-crown-6 show the excellent complexing ability

Quaternary oxide halides of group 15 with zinc and cadmium

International Nuclear Information System (INIS)

Rueck, Nadia

2014-01-01

The present thesis ''Quaternary oxide halides of group 15 with zinc and cadmium'' deals with the chemical class of oxide halides, which contain d-block element cations and pnicogens. Over the past few years compounds containing pnicogene cations are intensively investigated. The reason for this is the free electron pair of the Pn"3"+ cation, which is responsible for some interesting properties. Free electron pairs do not only impact the spatial structure of molecules but also the properties of materials. The object of this work was the synthesis and characterization of compounds containing Pn"3"+ cations with free electron pairs. Due to the structure-determining effect of these free electron pairs and in combination with halides it is possible to synthesize compounds with low-dimensional structures like chains and layers. In these compounds the structure is separated into halophilic and chalcophilic sub-structures, which are held together only by weak Van der Waals forces.

Hollow fiber liquid-phase microextraction of cadmium(II) using an ionic liquid as the extractant

International Nuclear Information System (INIS)

Chen, Hui; Wang, Yun; Hu, Yutao; Ni, Liang; Liu, Yingying; Kang, Wenbing; Liu, Yan; Han, Juan

2014-01-01

A method is presented for hollow fiber liquid-phase microextraction (HF-LPME) of cadmium(II), which is chelated with 1-(2-pyridylazo)-2-naphthol (PAN) to obtain a hydrophobic complex which then is extracted into a polypropylene hollow fiber containing an ionic liquid in its pores which acts as the membrane phase. EDTA is then injected into the lumen of the membrane as an acceptor phase to trap the analyte. The extraction time (20 min), agitation (400 rpm at 25 °C), pH value (10.0), and the concentrations of PAN (2.5 ng mL −1 ) and EDTA (250 ng mL −1 ) were optimized. With a sample volume of 50 mL and a stripping volume of 15 μL, the enrichment factor is 162. Cadmium(II) was then quantified by graphite furnace AAS. The limit of detection is 0.12 pg mL −1 , the relative standard deviation is 5.2 %, and the linear working range extends from 4 to 45 pg mL −1 . The method was successfully applied to the determination of Cd(II) in environmental and food samples. (author)

Two Regimes of Bandgap Red Shift and Partial Ambient Retention in Pressure-Treated Two-Dimensional Perovskites

Energy Technology Data Exchange (ETDEWEB)

Liu, Gang [Center for High Pressure Science and Technology Advanced Research, Shanghai 201203, China; Geophysical Laboratory, Carnegie Institution of Washington, Washington, DC 20015, United States; Kong, Lingping [Center for High Pressure Science and Technology Advanced Research, Shanghai 201203, China; Geophysical Laboratory, Carnegie Institution of Washington, Washington, DC 20015, United States; Guo, Peijun [Center; Stoumpos, Constantinos C. [Department; Hu, Qingyang [Center for High Pressure Science and Technology Advanced Research, Shanghai 201203, China; Liu, Zhenxian [Geophysical Laboratory, Carnegie Institution of Washington, Washington, DC 20015, United States; Cai, Zhonghou [Advanced; Gosztola, David J. [Center; Mao, Ho-kwang [Center for High Pressure Science and Technology Advanced Research, Shanghai 201203, China; Geophysical Laboratory, Carnegie Institution of Washington, Washington, DC 20015, United States; Kanatzidis, Mercouri G. [Department; Schaller, Richard D. [Center; Department

2017-10-09

The discovery of elevated environmental stability in two-dimensional (2D) Ruddlesden–Popper hybrid perovskites represents a significant advance in low-cost, high-efficiency light absorbers. In comparison to 3D counterparts, 2D perovskites of organo-lead-halides exhibit wider, quantum-confined optical bandgaps that reduce the wavelength range of light absorption. Here, we characterize the structural and optical properties of 2D hybrid perovskites as a function of hydrostatic pressure. We observe bandgap narrowing with pressure of 633 meV that is partially retained following pressure release due to an atomic reconfiguration mechanism. We identify two distinct regimes of compression dominated by the softer organic and less compressible inorganic sublattices. Our findings, which also include PL enhancement, correlate well with density functional theory calculations and establish structure–property relationships at the atomic scale. These concepts can be expanded into other hybrid perovskites and suggest that pressure/strain processing could offer a new route to improved materials-by-design in applications.

Muonium centers in the alkali halides

International Nuclear Information System (INIS)

Baumeler, H.; Kiefl, R.F.; Keller, H.; Kuendig, W.; Odermatt, W.; Patterson, B.D.; Schneider, J.W.; Savic, I.M.

1986-01-01

Muonium centers (Mu) in single crystals and powdered alkali halides have been studied using the high-timing-resolution transverse field μSR technique. Mu has been observed and its hyperfine parameter (HF) determined in every alkali halide. For the rocksalt alkali halides, the HF parameter A μ shows a systematic dependence on the host lattice constant. A comparison of the Mu HF parameter with hydrogen ESR data suggests that the Mu center is the muonic analogue of the interstitial hydrogen H i 0 -center. The rate of Mu diffusion can be deduced from the motional narrowing of the nuclear hyperfine interaction. KBr shows two different Mu states, a low-temperature Mu I -state and a high-temperature Mu II -state. (orig.)

Thermodynamic and structural study of two-dimensional melting within monolayers or rare gases or methane physically adsorbed upon the surface of layer-like solids

International Nuclear Information System (INIS)

Tessier, Christine

1983-01-01

The 2D (two-dimensional) melting of monolayers of rare gases or methane physically adsorbed on the basal face of lamellar solids (graphite, boron nitride and lamellar halides) has been studied. Two different experimental measurements have been made: i) adsorption isotherms; ii) neutron diffraction spectra. The main part of this report deals with the 2D liquid-incommensurate solid transition within monolayers of rare gases or methane adsorbed on the basal face of lamellar halides. This transition is first order. It is observed only if certain conditions of dimensional incompatibility between the substrate and the absorbate are fulfilled. It is little affected by the structure of the underlying substrate. A number of thermodynamic parameters associated with it, are constants once properly scaled. These constants agree well with theoretical estimates for 6-12 Lennard Jones particles adsorbed on a smooth surface. For the monolayer of Xe adsorbed on graphite the temperature of the tricritical point above which melting becomes a continuous transition has been measured. The isotope effect associated with 2D melting has been investigated by comparing the behaviour of monolayers of CH 4 and CD 4 adsorbed on boron nitride. The vapor pressure of Xe has been determined in the temperature range 101-120 K. (author) [fr

Broadly tunable metal halide perovskites for solid-state light-emission applications

NARCIS (Netherlands)

Adjokatse, Sampson; Fang, Hong-Hua; Loi, Maria Antonietta

2017-01-01

The past two years have witnessed heightened interest in metal-halide perovskites as promising optoelectronic materials for solid-state light emitting applications beyond photovoltaics. Metal-halide perovskites are low-cost solution-processable materials with excellent intrinsic properties such as

Two-dimensional errors

International Nuclear Information System (INIS)

Anon.

1991-01-01

This chapter addresses the extension of previous work in one-dimensional (linear) error theory to two-dimensional error analysis. The topics of the chapter include the definition of two-dimensional error, the probability ellipse, the probability circle, elliptical (circular) error evaluation, the application to position accuracy, and the use of control systems (points) in measurements

Methods for producing single crystal mixed halide perovskites

Science.gov (United States)

Zhu, Kai; Zhao, Yixin

2017-07-11

An aspect of the present invention is a method that includes contacting a metal halide and a first alkylammonium halide in a solvent to form a solution and maintaining the solution at a first temperature, resulting in the formation of at least one alkylammonium halide perovskite crystal, where the metal halide includes a first halogen and a metal, the first alkylammonium halide includes the first halogen, the at least one alkylammonium halide perovskite crystal includes the metal and the first halogen, and the first temperature is above about 21.degree. C.

Paired emitter-detector light emitting diodes for the measurement of lead(II) and cadmium(II)

International Nuclear Information System (INIS)

Lau, K.-T.; McHugh, Eimear; Baldwin, Susan; Diamond, Dermot

2006-01-01

A transmittance mode optical device based on using a reverse biased light emitting diode (LED) as light detector has been developed for colorimetric analysis. This new optical device was validated with bromocresol green dye for absorbance measurements before being employed for detecting cadmium(II) and lead(II) in water. Results show that the performance of this LED-based device is comparable to much more expensive bench top UV-vis instruments, but with the advantages of being low cost, low power and simple to operate

Paired emitter-detector light emitting diodes for the measurement of lead(II) and cadmium(II)

Energy Technology Data Exchange (ETDEWEB)

Lau, K.-T. [Adaptive Sensors Group, National Centre for Sensor Research, School of Chemical Sciences, Dublin City University, Dublin 9 (Ireland)]. E-mail: kim.lau@dcu.ie; McHugh, Eimear [Adaptive Sensors Group, National Centre for Sensor Research, School of Chemical Sciences, Dublin City University, Dublin 9 (Ireland); Baldwin, Susan [Adaptive Sensors Group, National Centre for Sensor Research, School of Chemical Sciences, Dublin City University, Dublin 9 (Ireland); Diamond, Dermot [Adaptive Sensors Group, National Centre for Sensor Research, School of Chemical Sciences, Dublin City University, Dublin 9 (Ireland)]. E-mail: Dermot.diamond@dcu.ie

2006-05-31

A transmittance mode optical device based on using a reverse biased light emitting diode (LED) as light detector has been developed for colorimetric analysis. This new optical device was validated with bromocresol green dye for absorbance measurements before being employed for detecting cadmium(II) and lead(II) in water. Results show that the performance of this LED-based device is comparable to much more expensive bench top UV-vis instruments, but with the advantages of being low cost, low power and simple to operate.

ONE-DIMENSIONAL AND TWO-DIMENSIONAL LEADERSHIP STYLES

Directory of Open Access Journals (Sweden)

Nikola Stefanović

2007-06-01

Full Text Available In order to motivate their group members to perform certain tasks, leaders use different leadership styles. These styles are based on leaders' backgrounds, knowledge, values, experiences, and expectations. The one-dimensional styles, used by many world leaders, are autocratic and democratic styles. These styles lie on the two opposite sides of the leadership spectrum. In order to precisely define the leadership styles on the spectrum between the autocratic leadership style and the democratic leadership style, leadership theory researchers use two dimensional matrices. The two-dimensional matrices define leadership styles on the basis of different parameters. By using these parameters, one can identify two-dimensional styles.

First-principles study of γ-ray detector materials in perovskite halides

Science.gov (United States)

Im, Jino; Jin, Hosub; Stoumpos, Constantinos; Chung, Duck; Liu, Zhifu; Peters, John; Wessels, Bruce; Kanatzidis, Mercouri; Freeman, Arthur

2013-03-01

In an effort to search for good γ-ray detector materials, perovskite halide compounds containing heavy elements were investigated. Despite the three-dimensional network of the corner shared octahedra and the extended nature of the outermost shell, its strong ionic character leads to a large band gap, which is one of the essential criteria for γ-ray detector materials. Thus, considering high density and high atomic number, these pervoskite halides are possible candidate for γ-ray detector materials. We performed first-principles calculations to investigate electronic structures and thermodynamic properties of intrinsic defects in the selected perovskite halide, CsPbBr3. The screened-exchange local density approximation scheme was employed to correct the underestimation of the band gap in the LDA method. As a result, the calculated band gap of CsPbBr3 is found to be suitable for γ-ray detection. Furthermore, defect formation energy calculations allow us to predict thermodynamic and electronic properties of possible intrinsic defects, which affect detector efficiency and energy resolution. Supported by the office of Nonproliferation and Verification R &D under Contract No. DE-AC02-06CH11357

Methyl halide emissions from greenhouse-grown mangroves

Science.gov (United States)

Manley, Steven L.; Wang, Nun-Yii; Walser, Maggie L.; Cicerone, Ralph J.

2007-01-01

Two mangrove species, Avicennia germinans and Rhizophora mangle, were greenhouse grown for nearly 1.5 years from saplings. A single individual of each species was monitored for the emission of methyl halides from aerial tissue. During the first 240 days, salinity was incrementally increased with the addition of seawater, and was maintained between 18 and 28‰ for the duration of the study. Exponential growth occurred after 180 days. Methyl halide emissions normalized to leaf area were measured throughout the study and varied dramatically. Emission rates normalized to land area (mg m-2 y-1), assuming a LAI = 5, yielded 82 and 29 for CH3Cl, 10 and 1.6 for CH3Br, and 26 and 11 for CH3I, for A. germinans and R. mangle, respectively. From these preliminary determinations, only CH3I emissions emerge as being of possible global atmospheric significance. This study emphasizes the need for field studies of methyl halide emissions from mangrove forests.

Two-dimensional NMR spectrometry

International Nuclear Information System (INIS)

Farrar, T.C.

1987-01-01

This article is the second in a two-part series. In part one (ANALYTICAL CHEMISTRY, May 15) the authors discussed one-dimensional nuclear magnetic resonance (NMR) spectra and some relatively advanced nuclear spin gymnastics experiments that provide a capability for selective sensitivity enhancements. In this article and overview and some applications of two-dimensional NMR experiments are presented. These powerful experiments are important complements to the one-dimensional experiments. As in the more sophisticated one-dimensional experiments, the two-dimensional experiments involve three distinct time periods: a preparation period, t 0 ; an evolution period, t 1 ; and a detection period, t 2

Ultrathin Two-Dimensional Organic-Inorganic Hybrid Perovskite Nanosheets with Bright, Tunable Photoluminescence and High Stability.

Science.gov (United States)

Yang, Shuang; Niu, Wenxin; Wang, An-Liang; Fan, Zhanxi; Chen, Bo; Tan, Chaoliang; Lu, Qipeng; Zhang, Hua

2017-04-03

Two-dimensional (2D) organic-inorganic hybrid perovskite nanosheets (NSs) are attracting increasing research interest due to their unique properties and promising applications. Here, for the first time, we report the facile synthesis of single- and few-layer free-standing phenylethylammonium lead halide perovskite NSs, that is, (PEA) 2 PbX 4 (PEA=C 8 H 9 NH 3 , X=Cl, Br, I). Importantly, their lateral size can be tuned by changing solvents. Moreover, these ultrathin 2D perovskite NSs exhibit highly efficient and tunable photoluminescence, as well as superior stability. Our study provides a simple and general method for the controlled synthesis of 2D perovskite NSs, which may offer a new avenue for their fundamental studies and optoelectronic applications. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Relation between the electroforming voltage in alkali halide-polymer diodes and the bandgap of the alkali halide

International Nuclear Information System (INIS)

Bory, Benjamin F.; Wang, Jingxin; Janssen, René A. J.; Meskers, Stefan C. J.; Gomes, Henrique L.; De Leeuw, Dago M.

2014-01-01

Electroforming of indium-tin-oxide/alkali halide/poly(spirofluorene)/Ba/Al diodes has been investigated by bias dependent reflectivity measurements. The threshold voltages for electrocoloration and electroforming are independent of layer thickness and correlate with the bandgap of the alkali halide. We argue that the origin is voltage induced defect formation. Frenkel defect pairs are formed by electron–hole recombination in the alkali halide. This self-accelerating process mitigates injection barriers. The dynamic junction formation is compared to that of a light emitting electrochemical cell. A critical defect density for electroforming is 10 25 /m 3 . The electroformed alkali halide layer can be considered as a highly doped semiconductor with metallic transport characteristics

Structural and Chemical Analysis of Gadolinium Halides Encapsulated within WS 2 Nanotubes

KAUST Repository

Anumol, E A

2016-05-18

The hollow cavities of nanotubes could serve as templates for the growth of size- and shape-confined functional nanostructures, giving rise to novel materials and properties. In this work, considering their potential application as MRI contrast agents, gadolinium halides are encapsulated within the hollow cavities of inorganic nanotubes of WS2 by capillary filling to obtain GdX3@WS2 nanotubes (where X = Cl, Br or I and @ means encapsulated in). Aberration corrected scanning/transmission electron microscopy (S/TEM) and spectroscopy is employed to understand the morphology and composition of the GdI3@WS2 nanotubes. The three dimensional morphology is studied with STEM tomography but understanding the compositional information is a non-trivial matter due to the presence of multiple high atomic number elements. Therefore, energy dispersive X-ray spectroscopy (EDS) tomography was employed revealing the three dimensional chemical composition. Molecular dynamics simulations of the filling procedure shed light into the mechanics behind the formation of the confined gadolinium halide crystals. The quasi-1D system employed here serves as an example of a TEM-based chemical nanotomography method that could be extended to other materials, including beam-sensitive soft materials.

Structural and Chemical Analysis of Gadolinium Halides Encapsulated within WS 2 Nanotubes

KAUST Repository

Anumol, E A; Enyashin, Andrey; Batra, Nitin M; Da Costa, Pedro M. F. J.; Francis, Leonard Deepak

2016-01-01

The hollow cavities of nanotubes could serve as templates for the growth of size- and shape-confined functional nanostructures, giving rise to novel materials and properties. In this work, considering their potential application as MRI contrast agents, gadolinium halides are encapsulated within the hollow cavities of inorganic nanotubes of WS2 by capillary filling to obtain GdX3@WS2 nanotubes (where X = Cl, Br or I and @ means encapsulated in). Aberration corrected scanning/transmission electron microscopy (S/TEM) and spectroscopy is employed to understand the morphology and composition of the GdI3@WS2 nanotubes. The three dimensional morphology is studied with STEM tomography but understanding the compositional information is a non-trivial matter due to the presence of multiple high atomic number elements. Therefore, energy dispersive X-ray spectroscopy (EDS) tomography was employed revealing the three dimensional chemical composition. Molecular dynamics simulations of the filling procedure shed light into the mechanics behind the formation of the confined gadolinium halide crystals. The quasi-1D system employed here serves as an example of a TEM-based chemical nanotomography method that could be extended to other materials, including beam-sensitive soft materials.

Improved catalytic properties of halohydrin dehalogenase by modification of the halide-binding site.

Science.gov (United States)

Tang, Lixia; Torres Pazmiño, Daniel E; Fraaije, Marco W; de Jong, René M; Dijkstra, Bauke W; Janssen, Dick B

2005-05-03

Halohydrin dehalogenase (HheC) from Agrobacterium radiobacter AD1 catalyzes the dehalogenation of vicinal haloalcohols by an intramolecular substitution reaction, resulting in the formation of the corresponding epoxide, a halide ion, and a proton. Halide release is rate-limiting during the catalytic cycle of the conversion of (R)-p-nitro-2-bromo-1-phenylethanol by the enzyme. The recent elucidation of the X-ray structure of HheC showed that hydrogen bonds between the OH group of Tyr187 and between the Odelta1 atom of Asn176 and Nepsilon1 atom of Trp249 could play a role in stabilizing the conformation of the halide-binding site. The possibility that these hydrogen bonds are important for halide binding and release was studied using site-directed mutagenesis. Steady-state kinetic studies revealed that mutant Y187F, which has lost both hydrogen bonds, has a higher catalytic activity (k(cat)) with two of the three tested substrates compared to the wild-type enzyme. Mutant W249F also shows an enhanced k(cat) value with these two substrates, as well as a remarkable increase in enantiopreference for (R)-p-nitro-2-bromo-1-phenylethanol. In case of a mutation at position 176 (N176A and N176D), a 1000-fold lower catalytic efficiency (k(cat)/K(m)) was obtained, which is mainly due to an increase of the K(m) value of the enzyme. Pre-steady-state kinetic studies showed that a burst of product formation precedes the steady state, indicating that halide release is still rate-limiting for mutants Y187F and W249F. Stopped-flow fluorescence experiments revealed that the rate of halide release is 5.6-fold higher for the Y187F mutant than for the wild-type enzyme and even higher for the W249F enzyme. Taken together, these results show that the disruption of two hydrogen bonds around the halide-binding site increases the rate of halide release and can enhance the overall catalytic activity of HheC.

Structure of polyvalent metal halide melts

International Nuclear Information System (INIS)

Tosi, M.P.

1990-12-01

A short review is given of recent progress in determining and understanding the structure of molten halide salts involving polyvalent metal ions. It covers the following three main topics: (i) melting mechanisms and types of liquid structure for pure polyvalent-metal chlorides; (ii) geometry and stability of local coordination for polyvalent metal ions in molten mixtures of their halides with alkali halides; and (iii) structure breaking and electron localization on addition of metal to the melt. (author). 28 refs, 3 figs, 1 tab

Halide-Dependent Electronic Structure of Organolead Perovskite Materials

KAUST Repository

Buin, Andrei; Comin, Riccardo; Xu, Jixian; Ip, Alexander H.; Sargent, Edward H.

2015-01-01

-based perovskites, in line with recent experimental data. As a result, the optimal growth conditions are also different for the distinct halide perovskites: growth should be halide-rich for Br and Cl, and halide-poor for I-based perovskites. We discuss stability

Development of Halide and Oxy-Halides for Isotopic Separations

Energy Technology Data Exchange (ETDEWEB)

Martin, Leigh R. [Idaho National Lab. (INL), Idaho Falls, ID (United States); Johnson, Aaron T. [Idaho National Lab. (INL), Idaho Falls, ID (United States); Pfeiffer, Jana [Idaho National Lab. (INL), Idaho Falls, ID (United States); Finck, Martha R. [Idaho National Lab. (INL), Idaho Falls, ID (United States)

2014-10-01

The goal of this project was to synthesize a volatile form of Np for introduction into mass spectrometers at INL. Volatile solids of the 5f elements are typically those of the halides (e.g. UF6), however fluorine is highly corrosive to the sensitive internal components of the mass separator, and the other volatile halides exist as several different stable isotopes in nature. However, iodide is both mono-isotopic and volatile, and as such presents an avenue for creation of a form of Np suitable for introduction into the mass separator. To accomplish this goal, the technical work in the project sought to establish a novel synthetic route for the conversion NpO2+ (dissolved in nitric acid) to NpI3 and NpI4.

Broadly tunable metal halide perovskites for solid-state light-emission applications

OpenAIRE

Adjokatse, Sampson; Fang, Hong-Hua; Loi, Maria Antonietta

2017-01-01

The past two years have witnessed heightened interest in metal-halide perovskites as promising optoelectronic materials for solid-state light emitting applications beyond photovoltaics. Metal-halide perovskites are low-cost solution-processable materials with excellent intrinsic properties such as broad tunability of bandgap, defect tolerance, high photoluminescence quantum efficiency and high emission color purity (narrow full-width at half maximum). In this review, the photophysical propert...

Adsorption characteristics of cadmium(II) onto functionalized poly(hydroxyethylmethacrylate)-grafted coconut coir pith.

Science.gov (United States)

Anirudhan, Thayyath Sreenivasan; Divya, Lekshmi; Rijith, Sreenivasan

2010-07-01

This study explored the feasibility of utilizing a novel adsorbent, poly(hydroxyethylmethacrylate)-grafted coconut coir pith with carboxyl functionality (PGCP-COOH) for the removal of cadmium(II) from water and wastewater. Maximum removal of 99.9% was observed for an initial concentration of 25 mg/L at pH 6.0 and adsorbent dose of 2.0 g/L. The first-order reversible kinetic model and Langmuir isotherm model were resulted in high correlation coefficients and described well the adsorption of Cd(II) onto PGCP-COOH. The complete removal of 22.4 mg/L Cd(II) from fertilizer industry wastewater was achieved by 2.0 g/L PGCP-COOH. The reusability of the PGCP-COOH for several cycles was demonstrated using 0.1 M HCl solution.

Morphology-Controlled Synthesis of Organometal Halide Perovskite Inverse Opals.

Science.gov (United States)

Chen, Kun; Tüysüz, Harun

2015-11-09

The booming development of organometal halide perovskites in recent years has prompted the exploration of morphology-control strategies to improve their performance in photovoltaic, photonic, and optoelectronic applications. However, the preparation of organometal halide perovskites with high hierarchical architecture is still highly challenging and a general morphology-control method for various organometal halide perovskites has not been achieved. A mild and scalable method to prepare organometal halide perovskites in inverse opal morphology is presented that uses a polystyrene-based artificial opal as hard template. Our method is flexible and compatible with different halides and organic ammonium compositions. Thus, the perovskite inverse opal maintains the advantage of straightforward structure and band gap engineering. Furthermore, optoelectronic investigations reveal that morphology exerted influence on the conducting nature of organometal halide perovskites. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Unraveling halide hydration: A high dilution approach.

Science.gov (United States)

Migliorati, Valentina; Sessa, Francesco; Aquilanti, Giuliana; D'Angelo, Paola

2014-07-28

The hydration properties of halide aqua ions have been investigated combining classical Molecular Dynamics (MD) with Extended X-ray Absorption Fine Structure (EXAFS) spectroscopy. Three halide-water interaction potentials recently developed [M. M. Reif and P. H. Hünenberger, J. Chem. Phys. 134, 144104 (2011)], along with three plausible choices for the value of the absolute hydration free energy of the proton (ΔG [minus sign in circle symbol]hyd[H+]), have been checked for their capability to properly describe the structural properties of halide aqueous solutions, by comparing the MD structural results with EXAFS experimental data. A very good agreement between theory and experiment has been obtained with one parameter set, namely LE, thus strengthening preliminary evidences for a ΔG [minus sign in circle symbol]hyd[H] value of -1100 kJ mol(-1) [M. M. Reif and P. H. Hünenberger, J. Chem. Phys. 134, 144104 (2011)]. The Cl(-), Br(-), and I(-) ions have been found to form an unstructured and disordered first hydration shell in aqueous solution, with a broad distribution of instantaneous coordination numbers. Conversely, the F(-) ion shows more ordered and defined first solvation shell, with only two statistically relevant coordination geometries (six and sevenfold complexes). Our thorough investigation on the effect of halide ions on the microscopic structure of water highlights that the perturbation induced by the Cl(-), Br(-), and I(-) ions does not extend beyond the ion first hydration shell, and the structure of water in the F(-) second shell is also substantially unaffected by the ion.

Making and Breaking of Lead Halide Perovskites

KAUST Repository

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

2016-01-01

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

TRANSURANIC METAL HALIDES AND A PROCESS FOR THE PRODUCTION THEREOF

Science.gov (United States)

Fried, S.

1951-03-20

Halides of transuranic elements are prepared by contacting with aluminum and a halogen, or with an aluminum halide, a transuranic metal oxide, oxyhalide, halide, or mixture thereof at an elevated temperature.

Silver halide photographic material providing an image and an unsharp mask

International Nuclear Information System (INIS)

Broadhead, P.; Farnell, G.C.

1981-01-01

Desirable edge effects are produced by normal imagewise exposure and processing of a sensitive radiographic film comprising a transparent film support bearing a layer of a direct-positive silver halide emulsion and a layer of a negative silver halide emulsion and wherein the film comprises means to reduce crossover between the two emulsion layers, one of said emulsion layers being adapted to record a primary image and the other being adapted to record an unsharp mask image. (author)

Quantum Dots in Two-Dimensional Perovskite Matrices for Efficient Near-Infrared Light Emission

KAUST Repository

Yang, Zhenyu

2017-03-13

Quantum-dot-in-perovskite solids are excellent candidates for infrared light-emitting applications. The first generation of dot-in-perovskite light-emitting diodes (LEDs) has shown bright infrared electroluminescence with tunable emission wavelength; however, their performance has been limited by degradation of the active layer at practical operating voltages. This arises from the instability of the three-dimensional (3D) organolead halide perovskite matrix. Herein we report the first dot-in-perovskite solids that employ two-dimensional (2D) perovskites as the matrix. 2D perovskite passivation is achieved via an in situ alkylammonium/alkylamine substitution carried out during the quantum dot (QD) ligand exchange process. This single-step film preparation process enables deposition of the QD/perovskite active layers with thicknesses of 40 nm, over seven times thinner than the first-generation dot-in-perovskite thin films that relied on a multistep synthesis. The dot-in-perovskite film roughness improved from 31 nm for the first-generation films to 3 nm for films as a result of this new approach. The best devices exhibit external quantum efficiency peaks exceeding 2% and radiances of ∼1 W sr–1 m–2, with an improved breakdown voltage up to 7.5 V. Compared to first-generation dot-in-perovskites, this new process reduces materials consumptions 10-fold and represents a promising step toward manufacturable devices.

Quantum Dots in Two-Dimensional Perovskite Matrices for Efficient Near-Infrared Light Emission

KAUST Repository

Yang, Zhenyu; Voznyy, Oleksandr; Walters, Grant; Fan, James Z.; Liu, Min; Kinge, Sachin; Hoogland, Sjoerd; Sargent, Edward H.

2017-01-01

Quantum-dot-in-perovskite solids are excellent candidates for infrared light-emitting applications. The first generation of dot-in-perovskite light-emitting diodes (LEDs) has shown bright infrared electroluminescence with tunable emission wavelength; however, their performance has been limited by degradation of the active layer at practical operating voltages. This arises from the instability of the three-dimensional (3D) organolead halide perovskite matrix. Herein we report the first dot-in-perovskite solids that employ two-dimensional (2D) perovskites as the matrix. 2D perovskite passivation is achieved via an in situ alkylammonium/alkylamine substitution carried out during the quantum dot (QD) ligand exchange process. This single-step film preparation process enables deposition of the QD/perovskite active layers with thicknesses of 40 nm, over seven times thinner than the first-generation dot-in-perovskite thin films that relied on a multistep synthesis. The dot-in-perovskite film roughness improved from 31 nm for the first-generation films to 3 nm for films as a result of this new approach. The best devices exhibit external quantum efficiency peaks exceeding 2% and radiances of ∼1 W sr–1 m–2, with an improved breakdown voltage up to 7.5 V. Compared to first-generation dot-in-perovskites, this new process reduces materials consumptions 10-fold and represents a promising step toward manufacturable devices.

The creation of defects in ammonium halides by excitons

International Nuclear Information System (INIS)

Kim, L.M.

2002-01-01

The ammonium halides crystals and alkali halides crystals are analogous by kind chemical bonds and crystalline lattices. The anionic sublattice is identical in this crystals. It is known the main mechanism of defect creation by irradiation is radiationless decay of excitons in alkali halides crystals. The F-, H-centers are formation in this processes. However, F, H-centres are not detected in ammonium halides. The goal of this work is investigation the creation of defects in ammonium halides by excitons. We established that excitons in ammonium chlorides and bromides are similar to excitons in alkali halides. It is known excitons are self-trapped and have identical parameters of the exciton-phonon interaction in both kind crystals. It is supposed, that processes of radiationless disintegration of excitons are identical in ammonium and alkali halides. It is necessary to understand why F-, H-centers are absent in ammonium halides. V k -centres are created by the excitation of the ammonium halides crystals in the absorption band of excitons. It was established by thermoluminescence and spectrums of absorption. The V k -centers begin to migrate at 110-120 K in ammonium chlorides and bromides. The curve of thermoluminescence have peak with maximum at this temperatures. It is known V k -centers in ammonium chlorides have the absorption band at 380 nm. We discovered this absorption band after irradiation of crystals by ultra-violet. In alkali halides F-center is anionic vacancy with electron. The wave function of electron are spread ed at the cations around anionic vacancy. We established the cation NH 4 + in ammonium halides can to capture electron. The ion NH 4 2+ is unsteady. It is disintegrated to NH 3 + and H + . We suppose that excitons in ammonium and alkali halides are disintegrated identically. When cation NH 4 + capture electron, in the anionic sublattice the configuration are created in a direction (100) The indicated configuration is unsteady in relation to a

Equivalence of two-dimensional gravities

International Nuclear Information System (INIS)

Mohammedi, N.

1990-01-01

The authors find the relationship between the Jackiw-Teitelboim model of two-dimensional gravity and the SL(2,R) induced gravity. These are shown to be related to a two-dimensional gauge theory obtained by dimensionally reducing the Chern-Simons action of the 2 + 1 dimensional gravity. The authors present an explicit solution to the equations of motion of the auxiliary field of the Jackiw-Teitelboim model in the light-cone gauge. A renormalization of the cosmological constant is also given

Enhanced biosorption of mercury(II) and cadmium(II) by cold-induced hydrophobic exobiopolymer secreted from the psychrotroph Pseudomonas fluorescens BM07

Energy Technology Data Exchange (ETDEWEB)

Zamil, Sheikh Shawkat; Choi, Mun Hwan; Song, Jung Hyun; Park, Hyunju; Xu, Ju; Yoon, Sung Chul [Gyeongsang National Univ., Jinju (Korea). Nano-Biomaterials Science Lab.; Chi, Ki-Whan [Ulsan Univ. (Korea). Dept. of Chemistry

2008-09-15

The cells of psychrotrophic Pseudomonas fluorescens BM07 were found to secrete large amounts of exobiopolymer (EBP) composed of mainly hydrophobic (water insoluble) polypeptide(s) (as contain {proportional_to}50 mol% hydrophobic amino acids, lacking cysteine residue) when grown on fructose containing limited M1 medium at the temperatures as low as 0-10 C but trace amount at high (30 C, optimum growth) temperature. Two types of nonliving BM07 cells (i.e., cells grown at 30 C and 10 C) as well as the freeze-dried EBP were compared for biosorption of mercury (Hg(II)) and cadmium (Cd(II)). The optimum adsorption pH was found 7 for Hg(II) but 6 for Cd(II), irrespective of the type of biomass. Equilibrium adsorption data well fitted the Langmuir adsorption model. The maximum adsorption (Q{sub max}) was 72.3, 97.4, and 286.2 mg Hg(II)/g dry biomass and 18.9, 27.0, and 61.5 mg Cd(II)/g dry biomass for cells grown at 30 C and 10 C and EBP, respectively, indicating major contribution of heavy metal adsorption by cold-induced EBP. Mercury(II) binding induced a significant shift of infrared (IR) amide I and II absorption of EBP whereas cadmium(II) binding showed only a very little shift. These IR shifts demonstrate that mercury(II) and cadmium(II) might have different binding sites in EBP, which was supported by X-ray diffraction and differential scanning calorimetric analysis and sorption results of chemically modified biomasses. This study implies that the psychrotrophs like BM07 strain may play an important role in the bioremediation of heavy metals in the temperate regions especially in the inactive cold season. (orig.)

Two-dimensional metamaterial optics

International Nuclear Information System (INIS)

Smolyaninov, I I

2010-01-01

While three-dimensional photonic metamaterials are difficult to fabricate, many new concepts and ideas in the metamaterial optics can be realized in two spatial dimensions using planar optics of surface plasmon polaritons. In this paper we review recent progress in this direction. Two-dimensional photonic crystals, hyperbolic metamaterials, and plasmonic focusing devices are demonstrated and used in novel microscopy and waveguiding schemes

Investigation of surface halide modification of nitrile butadiene rubber

Science.gov (United States)

Sukhareva, K. V.; Mikhailov, I. A.; Andriasyan, Yu O.; Mastalygina, E. E.; Popov, A. A.

2017-12-01

The investigation is devoted to the novel technology of surface halide modification of rubber samples based on nitrile butadiene rubber (NBR). 1,1,2-trifluoro-1,2,2-trichlorethane was used as halide modifier. The developed technology is characterized by production stages reduction to one by means of treating the rubber compound with a halide modifier. The surface halide modification of compounds based on nitrile butadiene rubber (NBR) was determined to result in increase of resistance to thermal oxidation and aggressive media. The conducted research revealed the influence of modification time on chemical resistance and physical-mechanical properties of rubbers under investigation.

The alkali halide disk technique in infra-red spectrometry : Anomalous behaviour of some samples dispersed in alkali halide disks

NARCIS (Netherlands)

Tolk, A.

1961-01-01

Some difficulties encountered in the application of the alkali halide disk technique in infra-red spectrometry are discussed. Complications due to interaction of the sample with the alkali halide have been studied experimentally. It was found that the anomalous behaviour of benzoic acid, succinic

Quaternary oxide halides of group 15 with zinc and cadmium; Quaternaere Oxidhalogenide der Gruppe 15 mit Zink und Cadmium

Energy Technology Data Exchange (ETDEWEB)

Rueck, Nadia

2014-07-30

The present thesis ''Quaternary oxide halides of group 15 with zinc and cadmium'' deals with the chemical class of oxide halides, which contain d-block element cations and pnicogens. Over the past few years compounds containing pnicogene cations are intensively investigated. The reason for this is the free electron pair of the Pn{sup 3+} cation, which is responsible for some interesting properties. Free electron pairs do not only impact the spatial structure of molecules but also the properties of materials. The object of this work was the synthesis and characterization of compounds containing Pn{sup 3+} cations with free electron pairs. Due to the structure-determining effect of these free electron pairs and in combination with halides it is possible to synthesize compounds with low-dimensional structures like chains and layers. In these compounds the structure is separated into halophilic and chalcophilic sub-structures, which are held together only by weak Van der Waals forces.

Treatment of alcaline metals halides for developing crystals

International Nuclear Information System (INIS)

Spurney, R.W.

1974-01-01

A process is described whereby crystals of an alkaline metal halide may be dried and placed in a crucible for development by the Bridgeman-Stockbarger method. Purified alkaline halides from a suspension are dried and formed into dense cakes of transverse section slightly smaller than that of the crucible, where they are packed, melted and grown into crystals according to the Bridgeman-Stockbarger technique. This method applies to the preparation of alkaline halide crystals, particularly sodium iodide for optical elements or scintillation counters [fr

Cation-Dependent Light-Induced Halide Demixing in Hybrid Organic-Inorganic Perovskites.

Science.gov (United States)

Sutter-Fella, Carolin M; Ngo, Quynh P; Cefarin, Nicola; Gardner, Kira L; Tamura, Nobumichi; Stan, Camelia V; Drisdell, Walter S; Javey, Ali; Toma, Francesca M; Sharp, Ian D

2018-06-13

Mixed cation metal halide perovskites with increased power conversion efficiency, negligible hysteresis, and improved long-term stability under illumination, moisture, and thermal stressing have emerged as promising compounds for photovoltaic and optoelectronic applications. Here, we shed light on photoinduced halide demixing using in situ photoluminescence spectroscopy and in situ synchrotron X-ray diffraction (XRD) to directly compare the evolution of composition and phase changes in CH(NH 2 ) 2 CsPb-halide (FACsPb-) and CH 3 NH 3 Pb-halide (MAPb-) perovskites upon illumination, thereby providing insights into why FACs-perovskites are less prone to halide demixing than MA-perovskites. We find that halide demixing occurs in both materials. However, the I-rich domains formed during demixing accumulate strain in FACsPb-perovskites but readily relax in MA-perovskites. The accumulated strain energy is expected to act as a stabilizing force against halide demixing and may explain the higher Br composition threshold for demixing to occur in FACsPb-halides. In addition, we find that while halide demixing leads to a quenching of the high-energy photoluminescence emission from MA-perovskites, the emission is enhanced from FACs-perovskites. This behavior points to a reduction of nonradiative recombination centers in FACs-perovskites arising from the demixing process and buildup of strain. FACsPb-halide perovskites exhibit excellent intrinsic material properties with photoluminescence quantum yields that are comparable to MA-perovskites. Because improved stability is achieved without sacrificing electronic properties, these compositions are better candidates for photovoltaic applications, especially as wide bandgap absorbers in tandem cells.

Formability of ABX3 (X=F,Cl,Br,I) halide perovskites

International Nuclear Information System (INIS)

Li Chonghea; Lu Xionggang; Ding Weizhong; Feng Liming; Gao Yonghui; Guo Ziming

2008-01-01

In this study a total of 186 complex halide systems were collected; the formabilities of ABX 3 (X = F, Cl, Br and I) halide perovskites were investigated using the empirical structure map, which was constructed by Goldschmidt's tolerance factor and the octahedral factor. A model for halide perovskite formability was built up. In this model obtained, for all 186 complex halides systems, only one system (CsF-MnF 2 ) without perovskite structure and six systems (RbF-PbF 2 , CsF- BeF 2 , KCl-FeCl 2 , TlI-MnI 2 , RbI-SnI 2 , TlI-PbI 2 ) with perovskite structure were wrongly classified, so its predicting accuracy reaches 96%. It is also indicated that both the tolerance factor and the octahedral factor are a necessary but not sufficient condition for ABX 3 halide perovskite formability, and a lowest limit of the octahedral factor exists for halide perovskite formation. This result is consistent with our previous report for ABO 3 oxide perovskite, and may be helpful to design novel halide materials with the perovskite structure. (orig.)

Synthesis, Reactivity and Stability of Aryl Halide Protecting Groups towards Di-Substituted Pyridines

Directory of Open Access Journals (Sweden)

Ptoton Mnangat Brian

2016-03-01

Full Text Available This paper reports the synthesis and reactivity of different Benzyl derivative protecting groups. The synthesis and stability of Benzyl halides, 4-methoxybenzyl halides, 3,5-dimethoxybenzyl halides, 3,4-dimethoxybenzyl halides, 3,4,5-trimethoxybenzyl halide protecting groups and their reactivity towards nitrogen atom of a di-substituted pyridine ring in formation of pyridinium salts is also reported.

High temperature reactions between molybdenum and metal halides

International Nuclear Information System (INIS)

Boeroeczki, A.; Dobos, G.; Josepovits, V.K.; Hars, Gy.

2006-01-01

Good colour rendering properties, high intensity and efficacy are of vital importance for high-end lighting applications. These requirements can be achieved by high intensity discharge lamps doped with different metal halide additives (metal halide lamps). To improve their reliability, it is very important to understand the different failure processes of the lamps. In this paper, the corrosion reactions between different metal halides and the molybdenum electrical feed-through electrode are discussed. The reactions were studied in the feed-through of real lamps and on model samples too. X-ray photoelectron spectroscopy (XPS) was used to establish the chemical states. In case of the model samples we have also used atomic absorption spectroscopy (AAS) to measure the reaction product amounts. Based on the measurement results we were able to determine the most corrosive metal halide components and to understand the mechanism of the reactions

Halide-Dependent Electronic Structure of Organolead Perovskite Materials

KAUST Repository

Buin, Andrei

2015-06-23

© 2015 American Chemical Society. Organometal halide perovskites have recently attracted tremendous attention both at the experimental and theoretical levels. These materials, in particular methylammonium triiodide, are still limited by poor chemical and structural stability under ambient conditions. Today this represents one of the major challenges for polycrystalline perovskite-based photovoltaic technology. In addition to this, the performance of perovskite-based devices is degraded by deep localized states, or traps. To achieve better-performing devices, it is necessary to understand the nature of these states and the mechanisms that lead to their formation. Here we show that the major sources of deep traps in the different halide systems have different origin and character. Halide vacancies are shallow donors in I-based perovskites, whereas they evolve into a major source of traps in Cl-based perovskites. Lead interstitials, which can form lead dimers, are the dominant source of defects in Br-based perovskites, in line with recent experimental data. As a result, the optimal growth conditions are also different for the distinct halide perovskites: growth should be halide-rich for Br and Cl, and halide-poor for I-based perovskites. We discuss stability in relation to the reaction enthalpies of mixtures of bulk precursors with respect to final perovskite product. Methylammonium lead triiodide is characterized by the lowest reaction enthalpy, explaining its low stability. At the opposite end, the highest stability was found for the methylammonium lead trichloride, also consistent with our experimental findings which show no observable structural variations over an extended period of time.

On the two-dimensional Saigo-Maeda fractional calculus asociated with two-dimensional Aleph TRANSFORM

Directory of Open Access Journals (Sweden)

Dinesh Kumar

2013-11-01

Full Text Available This paper deals with the study of two-dimensional Saigo-Maeda operators of Weyl type associated with Aleph function defined in this paper. Two theorems on these defined operators are established. Some interesting results associated with the H-functions and generalized Mittag-Leffler functions are deduced from the derived results. One dimensional analog of the derived results is also obtained.

Direct ToF-SIMS analysis of organic halides and amines on TLC plates

Energy Technology Data Exchange (ETDEWEB)

Parent, Alexander A. [Department of Chemistry and Biochemistry, Brigham Young University, Provo, UT 84602 (United States); Anderson, Thomas M. [Department of Chemistry and Biochemistry, Brigham Young University, Provo, UT 84602 (United States); Michaelis, David J. [Department of Chemistry and Biochemistry, Brigham Young University, Provo, UT 84602 (United States); Jiang, Guilin [Department of Chemistry and Biochemistry, Brigham Young University, Provo, UT 84602 (United States); Savage, Paul B. [Department of Chemistry and Biochemistry, Brigham Young University, Provo, UT 84602 (United States); Linford, Matthew R. [Department of Chemistry and Biochemistry, Brigham Young University, Provo, UT 84602 (United States)]. E-mail: mrlinford@chem.byu.edu

2006-07-30

It has been reported that: 'direct analysis of thin layer chromatography (TLC) plates with secondary ion mass spectrometry (SIMS) yields no satisfactory results' (J. Chromatogr. A 1084 (2005) 113-118). While this statement appears to be true in general, we have identified two important classes of compounds, organic halides and amines, that appear to yield to such direct analyses. For example, five organic halides with diverse structures were eluted on normal phase TLC plates. In all cases the halide signals in the negative ion time-of-flight secondary ion mass spectrometry (ToF-SIMS) spectra were notably stronger than the background signals. Similarly, a series of five organic amines with diverse structures were directly analyzed by positive ion ToF-SIMS. In all but one of the spectra characteristic, and sometimes even quasi-molecular ions, were observed. Most likely, the good halide ion yields are largely a function of the electronegativity of the halogens. We also propose that direct analysis of amines on normal phase silica gel is facilitated by the acidity, i.e., proton donation, of surface silanol groups.

Direct ToF-SIMS analysis of organic halides and amines on TLC plates

International Nuclear Information System (INIS)

Parent, Alexander A.; Anderson, Thomas M.; Michaelis, David J.; Jiang, Guilin; Savage, Paul B.; Linford, Matthew R.

2006-01-01

It has been reported that: 'direct analysis of thin layer chromatography (TLC) plates with secondary ion mass spectrometry (SIMS) yields no satisfactory results' (J. Chromatogr. A 1084 (2005) 113-118). While this statement appears to be true in general, we have identified two important classes of compounds, organic halides and amines, that appear to yield to such direct analyses. For example, five organic halides with diverse structures were eluted on normal phase TLC plates. In all cases the halide signals in the negative ion time-of-flight secondary ion mass spectrometry (ToF-SIMS) spectra were notably stronger than the background signals. Similarly, a series of five organic amines with diverse structures were directly analyzed by positive ion ToF-SIMS. In all but one of the spectra characteristic, and sometimes even quasi-molecular ions, were observed. Most likely, the good halide ion yields are largely a function of the electronegativity of the halogens. We also propose that direct analysis of amines on normal phase silica gel is facilitated by the acidity, i.e., proton donation, of surface silanol groups

Application of bifunctional Saccharomyces cerevisiae to remove lead(II) and cadmium(II) in aqueous solution

International Nuclear Information System (INIS)

Zhang Yunsong; Liu Weiguo; Zhang Li; Wang Meng; Zhao Maojun

2011-01-01

A magnetic adsorbent, EDTAD-functionalized Saccharomyces cerevisiae, has been synthesized to behave as an adsorbent for heavy metal ions by adjusting the pH value of the aqueous solution to make carboxyl and amino groups protonic or non-protonic. The bifunctional Saccharomyces cerevisiae (EMS) were used to remove lead(II) and cadmium(II) in solution in a batch system. The results showed that the adsorption capacity of the EMS for the heavy metal ions increased with increasing solution pH, and the maximum adsorption capacity (88.16 mg/g for Pb 2+ , 40.72 mg/g for Cd 2+ ) at 10 deg. C was found to occur at pH 5.5 and 6.0, respectively. The adsorption process followed the Langmuir isotherm model. The regeneration experiments revealed that the EMS could be successfully reused.

Molecular behavior of zero-dimensional perovskites

KAUST Repository

Yin, Jun; Maity, Partha; de Bastiani, Michele; Dursun, Ibrahim; Bakr, Osman; Bredas, Jean-Luc; Mohammed, Omar F.

2017-01-01

-dimensional (0D) inorganic perovskites of the Cs4PbX6 (X = Cl, Br, or I) kind have crystal structures with isolated lead halide octahedra [PbX6]4− surrounded by Cs+ cations, allowing the 0D crystals to exhibit the intrinsic properties of an individual octahedron

Solvated Positron Chemistry. Competitive Positron Reactions with Halide Ions in Water

DEFF Research Database (Denmark)

Christensen, Palle; Pedersen, Niels Jørgen; Andersen, J. R.

1979-01-01

It is shown by means of the angular correlation technique that the binding of positrons to halides is strongly influenced by solvation effects. For aqueous solutions we find increasing values for the binding energies between the halide and the positron with increasing mass of the halide...

Prediction of Intrinsic Ferromagnetic Ferroelectricity in a Transition-Metal Halide Monolayer

Science.gov (United States)

Huang, Chengxi; Du, Yongping; Wu, Haiping; Xiang, Hongjun; Deng, Kaiming; Kan, Erjun

2018-04-01

The realization of multiferroics in nanostructures, combined with a large electric dipole and ferromagnetic ordering, could lead to new applications, such as high-density multistate data storage. Although multiferroics have been broadly studied for decades, ferromagnetic ferroelectricity is rarely explored, especially in two-dimensional (2D) systems. Here we report the discovery of 2D ferromagnetic ferroelectricity in layered transition-metal halide systems. On the basis of first-principles calculations, we reveal that a charged CrBr3 monolayer exhibits in-plane multiferroicity, which is ensured by the combination of orbital and charge ordering as realized by the asymmetric Jahn-Teller distortions of octahedral Cr - Br6 units. As an example, we further show that (CrBr3)2Li is a ferromagnetic ferroelectric multiferroic. The explored phenomena and mechanism of multiferroics in this 2D system not only are useful for fundamental research in multiferroics but also enable a wide range of applications in nanodevices.

Two-dimensional nuclear magnetic resonance spectroscopy

International Nuclear Information System (INIS)

Bax, A.; Lerner, L.

1986-01-01

Great spectral simplification can be obtained by spreading the conventional one-dimensional nuclear magnetic resonance (NMR) spectrum in two independent frequency dimensions. This so-called two-dimensional NMR spectroscopy removes spectral overlap, facilitates spectral assignment, and provides a wealth of additional information. For example, conformational information related to interproton distances is available from resonance intensities in certain types of two-dimensional experiments. Another method generates 1 H NMR spectra of a preselected fragment of the molecule, suppressing resonances from other regions and greatly simplifying spectral appearance. Two-dimensional NMR spectroscopy can also be applied to the study of 13 C and 15 N, not only providing valuable connectivity information but also improving sensitivity of 13 C and 15 N detection by up to two orders of magnitude. 45 references, 10 figures

On some classes of two-dimensional local models in discrete two-dimensional monatomic FPU lattice with cubic and quartic potential

International Nuclear Information System (INIS)

Quan, Xu; Qiang, Tian

2009-01-01

This paper discusses the two-dimensional discrete monatomic Fermi–Pasta–Ulam lattice, by using the method of multiple-scale and the quasi-discreteness approach. By taking into account the interaction between the atoms in the lattice and their nearest neighbours, it obtains some classes of two-dimensional local models as follows: two-dimensional bright and dark discrete soliton trains, two-dimensional bright and dark line discrete breathers, and two-dimensional bright and dark discrete breather. (condensed matter: structure, thermal and mechanical properties)

Two-dimensional models

International Nuclear Information System (INIS)

Schroer, Bert; Freie Universitaet, Berlin

2005-02-01

It is not possible to compactly review the overwhelming literature on two-dimensional models in a meaningful way without a specific viewpoint; I have therefore tacitly added to the above title the words 'as theoretical laboratories for general quantum field theory'. I dedicate this contribution to the memory of J. A. Swieca with whom I have shared the passion of exploring 2-dimensional models for almost one decade. A shortened version of this article is intended as a contribution to the project 'Encyclopedia of mathematical physics' and comments, suggestions and critical remarks are welcome. (author)

Homocoupling of aryl halides in flow: Space integration of lithiation and FeCl3 promoted homocoupling

Directory of Open Access Journals (Sweden)

Aiichiro Nagaki

2011-08-01

Full Text Available The use of FeCl3 resulted in a fast homocoupling of aryllithiums, and this enabled its integration with the halogen–lithium exchange reaction of aryl halides in a flow microreactor. This system allows the homocoupling of two aryl halides bearing electrophilic functional groups, such as CN and NO2, in under a minute.

Entropy in halide perovskites

Science.gov (United States)

Katan, Claudine; Mohite, Aditya D.; Even, Jacky

2018-05-01

Claudine Katan, Aditya D. Mohite and Jacky Even discuss the possible impact of various entropy contributions (stochastic structural fluctuations, anharmonicity and lattice softness) on the optoelectronic properties of halide perovskite materials and devices.

Two-dimensional multifractal cross-correlation analysis

International Nuclear Information System (INIS)

Xi, Caiping; Zhang, Shuning; Xiong, Gang; Zhao, Huichang; Yang, Yonghong

2017-01-01

Highlights: • We study the mathematical models of 2D-MFXPF, 2D-MFXDFA and 2D-MFXDMA. • Present the definition of the two-dimensional N 2 -partitioned multiplicative cascading process. • Do the comparative analysis of 2D-MC by 2D-MFXPF, 2D-MFXDFA and 2D-MFXDMA. • Provide a reference on the choice and parameter settings of these methods in practice. - Abstract: There are a number of situations in which several signals are simultaneously recorded in complex systems, which exhibit long-term power-law cross-correlations. This paper presents two-dimensional multifractal cross-correlation analysis based on the partition function (2D-MFXPF), two-dimensional multifractal cross-correlation analysis based on the detrended fluctuation analysis (2D-MFXDFA) and two-dimensional multifractal cross-correlation analysis based on the detrended moving average analysis (2D-MFXDMA). We apply these methods to pairs of two-dimensional multiplicative cascades (2D-MC) to do a comparative study. Then, we apply the two-dimensional multifractal cross-correlation analysis based on the detrended fluctuation analysis (2D-MFXDFA) to real images and unveil intriguing multifractality in the cross correlations of the material structures. At last, we give the main conclusions and provide a valuable reference on how to choose the multifractal algorithms in the potential applications in the field of SAR image classification and detection.

Low-Dimensional Organic Tin Bromide Perovskites and Their Photoinduced Structural Transformation.

Science.gov (United States)

Zhou, Chenkun; Tian, Yu; Wang, Mingchao; Rose, Alyssa; Besara, Tiglet; Doyle, Nicholas K; Yuan, Zhao; Wang, Jamie C; Clark, Ronald; Hu, Yanyan; Siegrist, Theo; Lin, Shangchao; Ma, Biwu

2017-07-24

Hybrid organic-inorganic metal halide perovskites possess exceptional structural tunability, with three- (3D), two- (2D), one- (1D), and zero-dimensional (0D) structures on the molecular level all possible. While remarkable progress has been realized in perovskite research in recent years, the focus has been mainly on 3D and 2D structures, with 1D and 0D structures significantly underexplored. The synthesis and characterization of a series of low-dimensional organic tin bromide perovskites with 1D and 0D structures is reported. Using the same organic and inorganic components, but at different ratios and reaction conditions, both 1D (C 4 N 2 H 14 )SnBr 4 and 0D (C 4 N 2 H 14 Br) 4 SnBr 6 can be prepared in high yields. Moreover, photoinduced structural transformation from 1D to 0D was investigated experimentally and theoretically in which photodissociation of 1D metal halide chains followed by structural reorganization leads to the formation of a more thermodynamically stable 0D structure. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Two-dimensional beam profiles and one-dimensional projections

Science.gov (United States)

Findlay, D. J. S.; Jones, B.; Adams, D. J.

2018-05-01

One-dimensional projections of improved two-dimensional representations of transverse profiles of particle beams are proposed for fitting to data from harp-type monitors measuring beam profiles on particle accelerators. Composite distributions, with tails smoothly matched on to a central (inverted) parabola, are shown to give noticeably better fits than single gaussian and single parabolic distributions to data from harp-type beam profile monitors all along the proton beam transport lines to the two target stations on the ISIS Spallation Neutron Source. Some implications for inferring beam current densities on the beam axis are noted.

FPGA Implementation of one-dimensional and two-dimensional cellular automata

International Nuclear Information System (INIS)

D'Antone, I.

1999-01-01

This report describes the hardware implementation of one-dimensional and two-dimensional cellular automata (CAs). After a general introduction to the cellular automata, we consider a one-dimensional CA used to implement pseudo-random techniques in built-in self test for VLSI. Due to the increase in digital ASIC complexity, testing is becoming one of the major costs in the VLSI production. The high electronics complexity, used in particle physics experiments, demands higher reliability than in the past time. General criterions are given to evaluate the feasibility of the circuit used for testing and some quantitative parameters are underlined to optimize the architecture of the cellular automaton. Furthermore, we propose a two-dimensional CA that performs a peak finding algorithm in a matrix of cells mapping a sub-region of a calorimeter. As in a two-dimensional filtering process, the peaks of the energy clusters are found in one evolution step. This CA belongs to Wolfram class II cellular automata. Some quantitative parameters are given to optimize the architecture of the cellular automaton implemented in a commercial field programmable gate array (FPGA)

Lie algebra contractions on two-dimensional hyperboloid

International Nuclear Information System (INIS)

Pogosyan, G. S.; Yakhno, A.

2010-01-01

The Inoenue-Wigner contraction from the SO(2, 1) group to the Euclidean E(2) and E(1, 1) group is used to relate the separation of variables in Laplace-Beltrami (Helmholtz) equations for the four corresponding two-dimensional homogeneous spaces: two-dimensional hyperboloids and two-dimensional Euclidean and pseudo-Euclidean spaces. We show how the nine systems of coordinates on the two-dimensional hyperboloids contracted to the four systems of coordinates on E 2 and eight on E 1,1 . The text was submitted by the authors in English.

Quasi-two-dimensional holography

International Nuclear Information System (INIS)

Kutzner, J.; Erhard, A.; Wuestenberg, H.; Zimpfer, J.

1980-01-01

The acoustical holography with numerical reconstruction by area scanning is memory- and time-intensive. With the experiences by the linear holography we tried to derive a scanning for the evaluating of the two-dimensional flaw-sizes. In most practical cases it is sufficient to determine the exact depth extension of a flaw, whereas the accuracy of the length extension is less critical. For this reason the applicability of the so-called quasi-two-dimensional holography is appropriate. The used sound field given by special probes is divergent in the inclined plane and light focussed in the perpendicular plane using cylindrical lenses. (orig.) [de

Topology optimization of two-dimensional waveguides

DEFF Research Database (Denmark)

Jensen, Jakob Søndergaard; Sigmund, Ole

2003-01-01

In this work we use the method of topology optimization to design two-dimensional waveguides with low transmission loss.......In this work we use the method of topology optimization to design two-dimensional waveguides with low transmission loss....

Traditional Semiconductors in the Two-Dimensional Limit.

Science.gov (United States)

Lucking, Michael C; Xie, Weiyu; Choe, Duk-Hyun; West, Damien; Lu, Toh-Ming; Zhang, S B

2018-02-23

Interest in two-dimensional materials has exploded in recent years. Not only are they studied due to their novel electronic properties, such as the emergent Dirac fermion in graphene, but also as a new paradigm in which stacking layers of distinct two-dimensional materials may enable different functionality or devices. Here, through first-principles theory, we reveal a large new class of two-dimensional materials which are derived from traditional III-V, II-VI, and I-VII semiconductors. It is found that in the ultrathin limit the great majority of traditional binary semiconductors studied (a series of 28 semiconductors) are not only kinetically stable in a two-dimensional double layer honeycomb structure, but more energetically stable than the truncated wurtzite or zinc-blende structures associated with three dimensional bulk. These findings both greatly increase the landscape of two-dimensional materials and also demonstrate that in the double layer honeycomb form, even ordinary semiconductors, such as GaAs, can exhibit exotic topological properties.

Sufficient Controllability Condition for Affine Systems with Two-Dimensional Control and Two-Dimensional Zero Dynamics

Directory of Open Access Journals (Sweden)

D. A. Fetisov

2015-01-01

Full Text Available The controllability conditions are well known if we speak about linear stationary systems: a linear stationary system is controllable if and only if the dimension of the state vector is equal to the rank of the controllability matrix. The concept of the controllability matrix is extended to affine systems, but relations between affine systems controllability and properties of this matrix are more complicated. Various controllability conditions are set for affine systems, but they deal as usual either with systems of some special form or with controllability in some small neighborhood of the concerned point. An affine system is known to be controllable if the system is equivalent to a system of a canonical form, which is defined and regular in the whole space of states. In this case, the system is said to be feedback linearizable in the space of states. However there are examples, which illustrate that a system can be controllable even if it is not feedback linearizable in any open subset in the space of states. In this article we deal with such systems.Affine systems with two-dimensional control are considered. The system in question is assumed to be equivalent to a system of a quasicanonical form with two-dimensional zero dynamics which is defined and regular in the whole space of states. Therefore the controllability of the original system is equivalent to the controllability of the received system of a quasicanonical form. In this article the sufficient condition for an available solution of the terminal problem is proven for systems of a quasicanonical form with two-dimensional control and two-dimensional zero dynamics. The condition is valid in the case of an arbitrary time interval and arbitrary initial and finite states of the system. Therefore the controllability condition is set for systems of a quasicanonical form with two-dimensional control and two-dimensional zero dynamics. An example is given which illustrates how the proved

Application of bifunctional Saccharomyces cerevisiae to remove lead(II) and cadmium(II) in aqueous solution

Energy Technology Data Exchange (ETDEWEB)

Zhang Yunsong [Department of Chemistry, College of Life and Science, Sichuan Agricultural University, Yaan 625014 (China); Liu Weiguo [Agronomy College, Sichuan Agricultural University, Wenjiang 611130 (China); Zhang Li; Wang Meng [Department of Chemistry, College of Life and Science, Sichuan Agricultural University, Yaan 625014 (China); Zhao Maojun, E-mail: yaanyunsong@yahoo.com.cn [Department of Chemistry, College of Life and Science, Sichuan Agricultural University, Yaan 625014 (China)

2011-09-15

A magnetic adsorbent, EDTAD-functionalized Saccharomyces cerevisiae, has been synthesized to behave as an adsorbent for heavy metal ions by adjusting the pH value of the aqueous solution to make carboxyl and amino groups protonic or non-protonic. The bifunctional Saccharomyces cerevisiae (EMS) were used to remove lead(II) and cadmium(II) in solution in a batch system. The results showed that the adsorption capacity of the EMS for the heavy metal ions increased with increasing solution pH, and the maximum adsorption capacity (88.16 mg/g for Pb{sup 2+}, 40.72 mg/g for Cd{sup 2+}) at 10 deg. C was found to occur at pH 5.5 and 6.0, respectively. The adsorption process followed the Langmuir isotherm model. The regeneration experiments revealed that the EMS could be successfully reused.

Radiation damage in the alkali halide crystals

International Nuclear Information System (INIS)

Diller, K.M.

1975-10-01

A general review is given of the experimental data on radiation damage in the alkali halide crystals. A report is presented of an experimental investigation of irradiation produced interstitial dislocation loops in NaCl. These loops are found to exhibit the usual growth and coarsening behaviour during thermal annealing which operates by a glide and self-climb mechanism. It is shown that the recombination of defects in these crystals is a two stage process, and that the loss of interstitials stabilized at the loops is caused by extrinsic vacancies. The theoretical techniques used in simulating point defects in ionic crystals are described. Shell model potentials are derived for all the alkali halide crystals by fitting to bulk crystal data. The fitting is supplemented by calculations of the repulsive second neighbour interactions using methods based on the simple electron gas model. The properties of intrinsic and substitutional impurity defects are calculated. The HADES computer program is used in all the defect calculations. Finally the report returns to the problems of irradiation produced interstitial defects. The properties of H centres are discussed; their structure, formation energies, trapping at impurities and dimerization. The structure, formation energies and mobility of the intermediate and final molecular defects are then discussed. The thermodynamics of interstitial loop formation is considered for all the alklai halide crystals. The nucleation of interstitial loops in NaCl and NaBr is discussed, and the recombination of interstitial and vacancy defects. The models are found to account for all the main features of the experimental data. (author)

Lead Halide Perovskite Nanocrystals in the Research Spotlight: Stability and Defect Tolerance

Science.gov (United States)

2017-01-01

This Perspective outlines basic structural and optical properties of lead halide perovskite colloidal nanocrystals, highlighting differences and similarities between them and conventional II–VI and III–V semiconductor quantum dots. A detailed insight into two important issues inherent to lead halide perovskite nanocrystals then follows, namely, the advantages of defect tolerance and the necessity to improve their stability in environmental conditions. The defect tolerance of lead halide perovskites offers an impetus to search for similar attributes in other related heavy metal-free compounds. We discuss the origins of the significantly blue-shifted emission from CsPbBr3 nanocrystals and the synthetic strategies toward fabrication of stable perovskite nanocrystal materials with emission in the red and infrared parts of the optical spectrum, which are related to fabrication of mixed cation compounds guided by Goldschmidt tolerance factor considerations. We conclude with the view on perspectives of use of the colloidal perovskite nanocrystals for applications in backlighting of liquid-crystal TV displays. PMID:28920080

Halides of BET-TTF: novel hydrated molecular metals

Energy Technology Data Exchange (ETDEWEB)

Laukhina, E.; Ribera, E.; Vidal-Gancedo, J.; Canadell, E.; Veciana, J.; Rovira, C. [Universidad Autonoma de Barcelona, Bellaterra (Spain). Inst. de Ciencia de Materials; Khasanov, S.; Zorina, L.; Shibaeva, R. [Rossijskaya Akademiya Nauk, Chernogolovka (Russian Federation). Inst. Fiziki Tverdogo Tela; Laukhin, V. [Inst. of Problems of Chemical Physics, RAS, Chernogolovka (Russian Federation); Honold, M.; Nam, M.-S.; Singleton, J. [Clarendon Lab., Univ. of Oxford (United Kingdom)

2000-01-07

A hint of superconducting transition has been observed for the first time in a cation radical salt derived from bisethylenethio-tetrathiafulvalene (BET-TTF), the salt (BET-TTF){sub 2}Br.3H{sub 2}O. Here the synthesis, X-ray structure, and physical properties of two hydrated halides of BET-TTF that are isostructural and present stable metallic properties are described. (orig.)

Two-dimensional flexible nanoelectronics

Science.gov (United States)

Akinwande, Deji; Petrone, Nicholas; Hone, James

2014-12-01

2014/2015 represents the tenth anniversary of modern graphene research. Over this decade, graphene has proven to be attractive for thin-film transistors owing to its remarkable electronic, optical, mechanical and thermal properties. Even its major drawback--zero bandgap--has resulted in something positive: a resurgence of interest in two-dimensional semiconductors, such as dichalcogenides and buckled nanomaterials with sizeable bandgaps. With the discovery of hexagonal boron nitride as an ideal dielectric, the materials are now in place to advance integrated flexible nanoelectronics, which uniquely take advantage of the unmatched portfolio of properties of two-dimensional crystals, beyond the capability of conventional thin films for ubiquitous flexible systems.

Organometallic halide perovskite single crystals having low deffect density and methods of preparation thereof

KAUST Repository

Bakr, Osman M.

2016-02-18

The present disclosure presents a method of making a single crystal organometallic halide perovskites, with the formula: AMX3, wherein A is an organic cation, M is selected from the group consisting of: Pb, Sn, Cu, Ni, Co, Fe, Mn, Pd, Cd, Ge, and Eu, and X is a halide. The method comprises the use of two reservoirs containing different precursors and allowing the vapor diffusion from one reservoir to the other one. A solar cell comprising said crystal is also disclosed.

The coacervation of aqueous solutions of tetraalkylammonium halides

International Nuclear Information System (INIS)

Mugnier de Trobriand, Anne.

1979-09-01

The coacervation of aqueous solutions of tatraalkylammonium halides in the presence of not of inorganic halides and acids has been studied, considering thermodynamic and spectroscopic aspects. The importance of dispersion forces as well as forces resulting from hydrophobic hydration has been assessed. The analogy between these systems and anionic ion exchange resins has been shown especially for Uranium VI extraction [fr

Post-synthetic halide conversion and selective halogen capture in hybrid perovskites† †Electronic supplementary information (ESI) available. CCDC 1048945–1048947. For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/c5sc01135c

Science.gov (United States)

Solis-Ibarra, D.; Smith, I. C.

2015-01-01

Reaction with halogen vapor allows us to post-synthetically exchange halides in both three- (3D) and two-dimensional (2D) organic–inorganic metal-halide perovskites. Films of 3D Pb–I perovskites cleanly convert to films of Pb–Br or Pb–Cl perovskites upon exposure to Br2 or Cl2 gas, respectively. This gas–solid reaction provides a simple method to produce the high-quality Pb–Br or Pb–Cl perovskite films required for optoelectronic applications. Reactivity with halogens can be extended to the organic layers in 2D metal-halide perovskites. Here, terminal alkene groups placed between the inorganic layers can capture Br2 gas through chemisorption to form dibromoalkanes. This reaction's selectivity for Br2 over I2 allows us to scrub Br2 to obtain high-purity I2 gas streams. We also observe unusual halogen transfer between the inorganic and organic layers within a single perovskite structure. Remarkably, the perovskite's crystallinity is retained during these massive structural rearrangements. PMID:29218171

Computational screening of mixed metal halide ammines

DEFF Research Database (Denmark)

Jensen, Peter Bjerre; Lysgaard, Steen; Quaade, Ulrich

2013-01-01

Metal halide ammines, e.g. Mg(NH3)6Cl2 and Sr(NH3)8Cl2, can reversibly store ammonia, with high volumetric hydrogen storage capacities. The storage in the halide ammines is very safe, and the salts are therefore highly relevant as a carbon-free energy carrier in future transportation infrastructure...... selection. The GA is evolving from an initial (random) population and selecting those with highest fitness, a function based on e.g. stability, release temperature and storage capacity. The search space includes all alkaline, alkaline earth, 3d and 4d metals and the four lightest halides. In total...... the search spaces consists of millions combinations, which makes a GA ideal, to reduce the number of necessary calculations. We are screening for a one step release from either a hexa or octa ammine, and we have found promising candidates, which will be further investigated ? both computationally...

Catalytic effect of halide additives ball milled with magnesium hydride

Energy Technology Data Exchange (ETDEWEB)

Malka, I.E.; Bystrzycki, J. [Department of Advanced Materials and Technologies, Military University of Technology, Kaliskiego 2, 00-908 Warsaw (Poland); Czujko, T. [Department of Advanced Materials and Technologies, Military University of Technology, Kaliskiego 2, 00-908 Warsaw (Poland); CanmetENERGY, Hydrogen Fuel Cells and Transportation Energy, Natural Resources (Canada)

2010-02-15

The influence of various halide additives milled with magnesium hydride (MgH{sub 2}) on its decomposition temperature was studied. The optimum amount of halide additive and milling conditions were evaluated. The MgH{sub 2} decomposition temperature and energy of activation reduction were measured by temperature programmed desorption (TPD) and differential scanning calorimetry (DSC). The difference in catalytic efficiency between chlorides and fluorides of the various metals studied is presented. The effects of oxidation state, valence and position in the periodic table for selected halides on MgH{sub 2} decomposition temperature were also studied. The best catalysts, from the halides studied, for magnesium hydride decomposition were ZrF{sub 4}, TaF{sub 5}, NbF{sub 5}, VCl{sub 3} and TiCl{sub 3}. (author)

THERMODYNAMICS OF MICELLE FORMATION BY 1-METHYL-4-ALKYLPYRIDINIUM HALIDES

NARCIS (Netherlands)

BIJMA, K; ENGBERTS, JBFN; HAANDRIKMAN, G; VANOS, NM; BLANDAMER, MJ; BUTT, MD; CULLIS, PM

This paper reports enthalpies of micellization for a series of 1-methyl-4-alkylpyridinium halide surfactants at 303.2 K with different lengths and degrees of branching of the 4-alkyl chain and different sizes of counterions using two microcalorimeters (LKB 2277 and Omega Microcal). The standard

Approximate solutions for the two-dimensional integral transport equation. Solution of complex two-dimensional transport problems

International Nuclear Information System (INIS)

Sanchez, Richard.

1980-11-01

This work is divided into two parts: the first part deals with the solution of complex two-dimensional transport problems, the second one (note CEA-N-2166) treats the critically mixed methods of resolution. A set of approximate solutions for the isotropic two-dimensional neutron transport problem has been developed using the interface current formalism. The method has been applied to regular lattices of rectangular cells containing a fuel pin, cladding, and water, or homogenized structural material. The cells are divided into zones that are homogeneous. A zone-wise flux expansion is used to formulate a direct collision probability problem within a cell. The coupling of the cells is effected by making extra assumptions on the currents entering and leaving the interfaces. Two codes have been written: CALLIOPE uses a cylindrical cell model and one or three terms for the flux expansion, and NAUSICAA uses a two-dimensional flux representation and does a truly two-dimensional calculation inside each cell. In both codes, one or three terms can be used to make a space-independent expansion of the angular fluxes entering and leaving each side of the cell. The accuracies and computing times achieved with the different approximations are illustrated by numerical studies on two benchmark problems and by calculations performed in the APOLLO multigroup code [fr

Two-dimensional topological field theories coupled to four-dimensional BF theory

International Nuclear Information System (INIS)

Montesinos, Merced; Perez, Alejandro

2008-01-01

Four-dimensional BF theory admits a natural coupling to extended sources supported on two-dimensional surfaces or string world sheets. Solutions of the theory are in one to one correspondence with solutions of Einstein equations with distributional matter (cosmic strings). We study new (topological field) theories that can be constructed by adding extra degrees of freedom to the two-dimensional world sheet. We show how two-dimensional Yang-Mills degrees of freedom can be added on the world sheet, producing in this way, an interactive (topological) theory of Yang-Mills fields with BF fields in four dimensions. We also show how a world sheet tetrad can be naturally added. As in the previous case the set of solutions of these theories are contained in the set of solutions of Einstein's equations if one allows distributional matter supported on two-dimensional surfaces. These theories are argued to be exactly quantizable. In the context of quantum gravity, one important motivation to study these models is to explore the possibility of constructing a background-independent quantum field theory where local degrees of freedom at low energies arise from global topological (world sheet) degrees of freedom at the fundamental level

Alkali metal and alkali earth metal gadolinium halide scintillators

Science.gov (United States)

Bourret-Courchesne, Edith; Derenzo, Stephen E.; Parms, Shameka; Porter-Chapman, Yetta D.; Wiggins, Latoria K.

2016-08-02

The present invention provides for a composition comprising an inorganic scintillator comprising a gadolinium halide, optionally cerium-doped, having the formula A.sub.nGdX.sub.m:Ce; wherein A is nothing, an alkali metal, such as Li or Na, or an alkali earth metal, such as Ba; X is F, Br, Cl, or I; n is an integer from 1 to 2; m is an integer from 4 to 7; and the molar percent of cerium is 0% to 100%. The gadolinium halides or alkali earth metal gadolinium halides are scintillators and produce a bright luminescence upon irradiation by a suitable radiation.

Low-Dimensional Organic-Inorganic Halide Perovskite: Structure, Properties, and Applications.

Science.gov (United States)

Misra, Ravi K; Cohen, Bat-El; Iagher, Lior; Etgar, Lioz

2017-10-09

Three-dimensional (3 D) perovskite has attracted a lot of attention owing to its success in photovoltaic (PV) solar cells. However, one of its major crucial issues lies in its stability, which has limited its commercialization. An important property of organic-inorganic perovskite is the possibility of forming a layered material by using long organic cations that do not fit into the octahedral cage. These long organic cations act as a "barrier" that "caps" 3 D perovskite to form the layered material. Controlling the number of perovskite layers could provide a confined structure with chemical and physical properties that are different from those of 3 D perovskite. This opens up a whole new batch of interesting materials with huge potential for optoelectronic applications. This Minireview presents the synthesis, properties, and structural orientation of low-dimensional perovskite. It also discusses the progress of low-dimensional perovskite in PV solar cells, which, to date, have performance comparable to that of 3 D perovskite but with enhanced stability. Finally, the use of low-dimensional perovskite in light-emitting diodes (LEDs) and photodetectors is discussed. The low-dimensional perovskites are promising candidates for LED devices, mainly because of their high radiative recombination as a result of the confined low-dimensional quantum well. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Superconducting nitride halides MNX (M = Ti, Zr, Hf; X = Cl, Br, I)

Energy Technology Data Exchange (ETDEWEB)

Schurz, Christian M.; Shlyk, Larysa; Schleid, Thomas; Niewa, Rainer [Stuttgart Univ. (Germany). Inst. fuer Anorganische Chemie

2011-07-01

Two different polymorphs of the metal nitride halides MNX (M = Ti, Zr, Hf; X = Cl, Br, I) are known to crystallize in layered structures. The two crystal structures differ in the way {sub {infinity}}{sup 2}{l_brace}X[M{sub 2}N{sub 2}]X{r_brace} slabs are stacked along the c-axes. Metal atoms and/or organic molecules can be intercalated into the van-der-Waals gap between these layers. After such an electron-doping via intercalation the prototypic band insulators change into superconductors with moderate high critical temperatures T{sub c} up to 25.5 K. This review gathers information on synthesis routes, structural characteristics and properties of the prototypic nitride halides and the derivatives after electron-doping with a focus on superconductivity. (orig.)

Beginning Introductory Physics with Two-Dimensional Motion

Science.gov (United States)

Huggins, Elisha

2009-01-01

During the session on "Introductory College Physics Textbooks" at the 2007 Summer Meeting of the AAPT, there was a brief discussion about whether introductory physics should begin with one-dimensional motion or two-dimensional motion. Here we present the case that by starting with two-dimensional motion, we are able to introduce a considerable…

Two-dimensional thermofield bosonization

International Nuclear Information System (INIS)

Amaral, R.L.P.G.; Belvedere, L.V.; Rothe, K.D.

2005-01-01

The main objective of this paper was to obtain an operator realization for the bosonization of fermions in 1 + 1 dimensions, at finite, non-zero temperature T. This is achieved in the framework of the real-time formalism of Thermofield Dynamics. Formally, the results parallel those of the T = 0 case. The well-known two-dimensional Fermion-Boson correspondences at zero temperature are shown to hold also at finite temperature. To emphasize the usefulness of the operator realization for handling a large class of two-dimensional quantum field-theoretic problems, we contrast this global approach with the cumbersome calculation of the fermion-current two-point function in the imaginary-time formalism and real-time formalisms. The calculations also illustrate the very different ways in which the transmutation from Fermi-Dirac to Bose-Einstein statistics is realized

Complexes in polyvalent metal - Alkali halide melts

International Nuclear Information System (INIS)

Akdeniz, Z.; Tosi, M.P.

1991-03-01

Experimental evidence is available in the literature on the local coordination of divalent and trivalent metal ions by halogens in some 140 liquid mixtures of their halides with alkali halides. After brief reference to classification criteria for main types of local coordination, we focus on statistical mechanical models that we are developing for Al-alkali halide mixtures. Specifically, we discuss theoretically the equilibrium between (AlF 6 ) 3- and (AlF 4 ) - complexes in mixtures of AlF 3 and NaF as a function of composition in the NaF-rich region, the effect of the alkali counterion on this equilibrium, the possible role of (AlF 5 ) 2- as an intermediate species in molten cryolite, and the origin of the different complexing behaviours of Al-alkali fluorides and chlorides. We also present a theoretical scenario for processes of structure breaking and electron localization in molten cryolite under addition of sodium metal. (author). 26 refs, 2 tabs

Two-dimensional x-ray diffraction

CERN Document Server

He, Bob B

2009-01-01

Written by one of the pioneers of 2D X-Ray Diffraction, this useful guide covers the fundamentals, experimental methods and applications of two-dimensional x-ray diffraction, including geometry convention, x-ray source and optics, two-dimensional detectors, diffraction data interpretation, and configurations for various applications, such as phase identification, texture, stress, microstructure analysis, crystallinity, thin film analysis and combinatorial screening. Experimental examples in materials research, pharmaceuticals, and forensics are also given. This presents a key resource to resea

Lamp-Ballast Compatibility Index for Efficient Ceramic Metal Halide Lamp Operation

OpenAIRE

Sourish Chatterjee

2013-01-01

Development of energy efficient products and exploration of energy saving potential are major challenges for present day’s technology. Ceramic Metal Halide lamp is the latest improved version of metal halide lamp that finds its wide applications in indoor commercial lighting especially in retail shop lighting. This lamp shows better performance in terms of higher lumen per watt and colour constancy in comparison to conventional metal halide lamp. The inherent negative incremental impedance of...

Making and Breaking of Lead Halide Perovskites

KAUST Repository

Manser, Joseph S.

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

Piezoelectricity in Two-Dimensional Materials

KAUST Repository

Wu, Tao

2015-02-25

Powering up 2D materials: Recent experimental studies confirmed the existence of piezoelectricity - the conversion of mechanical stress into electricity - in two-dimensional single-layer MoS2 nanosheets. The results represent a milestone towards embedding low-dimensional materials into future disruptive technologies. © 2015 Wiley-VCH Verlag GmbH & Co. KGaA.

Charge carrier localised in zero-dimensional (CH3NH3)3Bi2I9 clusters.

Science.gov (United States)

Ni, Chengsheng; Hedley, Gordon; Payne, Julia; Svrcek, Vladimir; McDonald, Calum; Jagadamma, Lethy Krishnan; Edwards, Paul; Martin, Robert; Jain, Gunisha; Carolan, Darragh; Mariotti, Davide; Maguire, Paul; Samuel, Ifor; Irvine, John

2017-08-01

A metal-organic hybrid perovskite (CH 3 NH 3 PbI 3 ) with three-dimensional framework of metal-halide octahedra has been reported as a low-cost, solution-processable absorber for a thin-film solar cell with a power-conversion efficiency over 20%. Low-dimensional layered perovskites with metal halide slabs separated by the insulating organic layers are reported to show higher stability, but the efficiencies of the solar cells are limited by the confinement of excitons. In order to explore the confinement and transport of excitons in zero-dimensional metal-organic hybrid materials, a highly orientated film of (CH 3 NH 3 ) 3 Bi 2 I 9 with nanometre-sized core clusters of Bi 2 I 9 3- surrounded by insulating CH 3 NH 3 + was prepared via solution processing. The (CH 3 NH 3 ) 3 Bi 2 I 9 film shows highly anisotropic photoluminescence emission and excitation due to the large proportion of localised excitons coupled with delocalised excitons from intercluster energy transfer. The abrupt increase in photoluminescence quantum yield at excitation energy above twice band gap could indicate a quantum cutting due to the low dimensionality.Understanding the confinement and transport of excitons in low dimensional systems will aid the development of next generation photovoltaics. Via photophysical studies Ni et al. observe 'quantum cutting' in 0D metal-organic hybrid materials based on methylammonium bismuth halide (CH 3 NH 3 )3Bi 2 I 9 .

Two-dimensional confinement of heavy fermions

International Nuclear Information System (INIS)

Shishido, Hiroaki; Shibauchi, Takasada; Matsuda, Yuji; Terashima, Takahito

2010-01-01

Metallic systems with the strongest electron correlations are realized in certain rare-earth and actinide compounds whose physics are dominated by f-electrons. These materials are known as heavy fermions, so called because the effective mass of the conduction electrons is enhanced via correlation effects up to as much as several hundreds times the free electron mass. To date the electronic structure of all heavy-fermion compounds is essentially three-dimensional. Here we report on the first realization of a two-dimensional heavy-fermion system, where the dimensionality is adjusted in a controllable fashion by fabricating heterostructures using molecular beam epitaxy. The two-dimensional heavy fermion system displays striking deviations from the standard Fermi liquid low-temperature electronic properties. (author)

Reversible photo-induced trap formation in mixed-halide hybrid perovskites for photovoltaics.

Science.gov (United States)

Hoke, Eric T; Slotcavage, Daniel J; Dohner, Emma R; Bowring, Andrea R; Karunadasa, Hemamala I; McGehee, Michael D

2015-01-01

We report on reversible, light-induced transformations in (CH 3 NH 3 )Pb(Br x I 1- x ) 3 . Photoluminescence (PL) spectra of these perovskites develop a new, red-shifted peak at 1.68 eV that grows in intensity under constant, 1-sun illumination in less than a minute. This is accompanied by an increase in sub-bandgap absorption at ∼1.7 eV, indicating the formation of luminescent trap states. Light soaking causes a splitting of X-ray diffraction (XRD) peaks, suggesting segregation into two crystalline phases. Surprisingly, these photo-induced changes are fully reversible; the XRD patterns and the PL and absorption spectra revert to their initial states after the materials are left for a few minutes in the dark. We speculate that photoexcitation may cause halide segregation into iodide-rich minority and bromide-enriched majority domains, the former acting as a recombination center trap. This instability may limit achievable voltages from some mixed-halide perovskite solar cells and could have implications for the photostability of halide perovskites used in optoelectronics.

Miscellaneous Lasing Actions in Organo-Lead Halide Perovskite Films.

Science.gov (United States)

Duan, Zonghui; Wang, Shuai; Yi, Ningbo; Gu, Zhiyuan; Gao, Yisheng; Song, Qinghai; Xiao, Shumin

2017-06-21

Lasing actions in organo-lead halide perovskite films have been heavily studied in the past few years. However, due to the disordered nature of synthesized perovskite films, the lasing actions are usually understood as random lasers that are formed by multiple scattering. Herein, we demonstrate the miscellaneous lasing actions in organo-lead halide perovskite films. In addition to the random lasers, we show that a single or a few perovskite microparticles can generate laser emissions with their internal resonances instead of multiple scattering among them. We experimentally observed and numerically confirmed whispering gallery (WG)-like microlasers in polygon shaped and other deformed microparticles. Meanwhile, owing to the nature of total internal reflection and the novel shape of the nanoparticle, the size of the perovskite WG laser can be significantly decreased to a few hundred nanometers. Thus, wavelength-scale lead halide perovskite lasers were realized for the first time. All of these laser behaviors are complementary to typical random lasers in perovskite film and will help the understanding of lasing actions in complex lead halide perovskite systems.

Single Crystals of Organolead Halide Perovskites: Growth, Characterization, and Applications

KAUST Repository

Peng, Wei

2017-04-01

With the soaring advancement of organolead halide perovskite solar cells rising from a power conversion efficiency of merely 3% to more than 22% shortly in five years, researchers’ interests on this big material family have been greatly spurred. So far, both in-depth studies on the fundamental properties of organolead halide perovskites and their extended applications such as photodetectors, light emitting diodes, and lasing have been intensively reported. The great successes have been ascribed to various superior properties of organolead halide hybrid perovskites such as long carrier lifetimes, high carrier mobility, and solution-processable high quality thin films, as will be discussed in Chapter 1. Notably, most of these studies have been limited to their polycrystalline thin films. Single crystals, as a counter form of polycrystals, have no grain boundaries and higher crystallinity, and thus less defects. These characteristics gift single crystals with superior optical, electrical, and mechanical properties, which will be discussed in Chapter 2. For example, organolead halide perovskite single crystals have been reported with much longer carrier lifetimes and higher carrier mobilities, which are especially intriguing for optoelectronic applications. Besides their superior optoelectronic properties, organolead halide perovskites have shown large composition versatility, especially their organic components, which can be controlled to effectively adjust their crystal structures and further fundamental properties. Single crystals are an ideal platform for such composition-structure-property study since a uniform structure with homogeneous compositions and without distraction from grain boundaries as well as excess defects can provide unambiguously information of material properties. As a major part of work of this dissertation, explorative work on the composition-structure-property study of organic-cation-alloyed organolead halide perovskites using their single

Two-dimensional topological photonics

Science.gov (United States)

Khanikaev, Alexander B.; Shvets, Gennady

2017-12-01

Originating from the studies of two-dimensional condensed-matter states, the concept of topological order has recently been expanded to other fields of physics and engineering, particularly optics and photonics. Topological photonic structures have already overturned some of the traditional views on wave propagation and manipulation. The application of topological concepts to guided wave propagation has enabled novel photonic devices, such as reflection-free sharply bent waveguides, robust delay lines, spin-polarized switches and non-reciprocal devices. Discrete degrees of freedom, widely used in condensed-matter physics, such as spin and valley, are now entering the realm of photonics. In this Review, we summarize the latest advances in this highly dynamic field, with special emphasis on the experimental work on two-dimensional photonic topological structures.

Structures of two-dimensional three-body systems

International Nuclear Information System (INIS)

Ruan, W.Y.; Liu, Y.Y.; Bao, C.G.

1996-01-01

Features of the structure of L = 0 states of a two-dimensional three-body model system have been investigated. Three types of permutation symmetry of the spatial part, namely symmetric, antisymmetric, and mixed, have been considered. A comparison has been made between the two-dimensional system and the corresponding three-dimensional one. The effect of symmetry on microscopic structures is emphasized. (author)

Manganese-Catalyzed Cross-Coupling of Aryl Halides and Grignard Reagents by a Radical Mechanism

DEFF Research Database (Denmark)

Antonacci, Giuseppe; Ahlburg, Andreas; Fristrup, Peter

2017-01-01

The substrate scope and the mechanism have been investigated for the MnCl2-catalyzed cross-coupling reaction between aryl halides and Grignard reagents. The transformation proceeds rapidly and in good yield when the aryl halide component is an aryl chloride containing a cyano or an ester group....... Two radical-clock experiments were carried out, and in both cases an intermediate aryl radical was successfully trapped. The cross-coupling reaction is therefore believed to proceed by an SRN1 mechanism, with a triorganomanganate complex serving as the most likely nucleophile and single-electron donor...

Local Polar Fluctuations in Lead Halide Perovskite Crystals

Science.gov (United States)

Yaffe, Omer; Guo, Yinsheng; Tan, Liang Z.; Egger, David A.; Hull, Trevor; Stoumpos, Constantinos C.; Zheng, Fan; Heinz, Tony F.; Kronik, Leeor; Kanatzidis, Mercouri G.; Owen, Jonathan S.; Rappe, Andrew M.; Pimenta, Marcos A.; Brus, Louis E.

2017-03-01

Hybrid lead-halide perovskites have emerged as an excellent class of photovoltaic materials. Recent reports suggest that the organic molecular cation is responsible for local polar fluctuations that inhibit carrier recombination. We combine low-frequency Raman scattering with first-principles molecular dynamics (MD) to study the fundamental nature of these local polar fluctuations. Our observations of a strong central peak in the cubic phase of both hybrid (CH3 NH3 PbBr3 ) and all-inorganic (CsPbBr3 ) lead-halide perovskites show that anharmonic, local polar fluctuations are intrinsic to the general lead-halide perovskite structure, and not unique to the dipolar organic cation. MD simulations indicate that head-to-head Cs motion coupled to Br face expansion, occurring on a few hundred femtosecond time scale, drives the local polar fluctuations in CsPbBr3 .

X-ray imaging device for one-dimensional and two-dimensional radioscopy

International Nuclear Information System (INIS)

1978-01-01

The X-ray imaging device for the selectable one-dimensional or two-dimensional pictures of objects illuminated by X-rays, comprising an X-ray source, an X-ray screen, and an opto-electrical picture development device placed behind the screen, is characterized by an anamorphotic optical system, which is positioned with a one-dimensional illumination between the X-ray screen and the opto-electrical device and that a two-dimensional illumination will be developed, and that in view of the lens system which forms part of the opto-electrical device, there is placed an X-ray screen in a specified beam direction so that a magnified image may be formed by equalisation of the distance between the X-ray screen and the lens system. (G.C.)

Hamiltonian formalism of two-dimensional Vlasov kinetic equation.

Science.gov (United States)

Pavlov, Maxim V

2014-12-08

In this paper, the two-dimensional Benney system describing long wave propagation of a finite depth fluid motion and the multi-dimensional Russo-Smereka kinetic equation describing a bubbly flow are considered. The Hamiltonian approach established by J. Gibbons for the one-dimensional Vlasov kinetic equation is extended to a multi-dimensional case. A local Hamiltonian structure associated with the hydrodynamic lattice of moments derived by D. J. Benney is constructed. A relationship between this hydrodynamic lattice of moments and the two-dimensional Vlasov kinetic equation is found. In the two-dimensional case, a Hamiltonian hydrodynamic lattice for the Russo-Smereka kinetic model is constructed. Simple hydrodynamic reductions are presented.

Novel target design algorithm for two-dimensional optical storage (TwoDOS)

NARCIS (Netherlands)

Huang, Li; Chong, T.C.; Vijaya Kumar, B.V.K.; Kobori, H.

2004-01-01

In this paper we introduce the Hankel transform based channel model of Two-Dimensional Optical Storage (TwoDOS) system. Based on this model, the two-dimensional (2D) minimum mean-square error (MMSE) equalizer has been derived and applied to some simple but common cases. The performance of the 2D

Two-dimensional ferroelectrics

Energy Technology Data Exchange (ETDEWEB)

Blinov, L M; Fridkin, Vladimir M; Palto, Sergei P [A.V. Shubnikov Institute of Crystallography, Russian Academy of Sciences, Moscow, Russian Federaion (Russian Federation); Bune, A V; Dowben, P A; Ducharme, Stephen [Department of Physics and Astronomy, Behlen Laboratory of Physics, Center for Materials Research and Analysis, University of Nebraska-Linkoln, Linkoln, NE (United States)

2000-03-31

The investigation of the finite-size effect in ferroelectric crystals and films has been limited by the experimental conditions. The smallest demonstrated ferroelectric crystals had a diameter of {approx}200 A and the thinnest ferroelectric films were {approx}200 A thick, macroscopic sizes on an atomic scale. Langmuir-Blodgett deposition of films one monolayer at a time has produced high quality ferroelectric films as thin as 10 A, made from polyvinylidene fluoride and its copolymers. These ultrathin films permitted the ultimate investigation of finite-size effects on the atomic thickness scale. Langmuir-Blodgett films also revealed the fundamental two-dimensional character of ferroelectricity in these materials by demonstrating that there is no so-called critical thickness; films as thin as two monolayers (1 nm) are ferroelectric, with a transition temperature near that of the bulk material. The films exhibit all the main properties of ferroelectricity with a first-order ferroelectric-paraelectric phase transition: polarization hysteresis (switching); the jump in spontaneous polarization at the phase transition temperature; thermal hysteresis in the polarization; the increase in the transition temperature with applied field; double hysteresis above the phase transition temperature; and the existence of the ferroelectric critical point. The films also exhibit a new phase transition associated with the two-dimensional layers. (reviews of topical problems)

Non-hydrolytic metal oxide films for perovskite halide overcoating and stabilization

Science.gov (United States)

Martinson, Alex B.; Kim, In Soo

2017-09-26

A method of protecting a perovskite halide film from moisture and temperature includes positioning the perovskite halide film in a chamber. The chamber is maintained at a temperature of less than 200 degrees Celsius. An organo-metal compound is inserted into the chamber. A non-hydrolytic oxygen source is subsequently inserted into the chamber. The inserting of the organo-metal compound and subsequent inserting of the non-hydrolytic oxygen source into the chamber is repeated for a predetermined number of cycles. The non-hydrolytic oxygen source and the organo-metal compound interact in the chamber to deposit a non-hydrolytic metal oxide film on perovskite halide film. The non-hydrolytic metal oxide film protects the perovskite halide film from relative humidity of greater than 35% and a temperature of greater than 150 degrees Celsius, respectively.

Quantum confinement and dielectric profiles of colloidal nanoplatelets of halide inorganic and hybrid organic-inorganic perovskites

Science.gov (United States)

Sapori, Daniel; Kepenekian, Mikaël; Pedesseau, Laurent; Katan, Claudine; Even, Jacky

2016-03-01

Quantum confinement as well as high frequency ε∞ and static εs dielectric profiles are described for nanoplatelets of halide inorganic perovskites CsPbX3 (X = I, Br, Cl) and hybrid organic-inorganic perovskites (HOP) in two-dimensional (2D) and three-dimensional (3D) structures. 3D HOP are currently being sought for their impressive photovoltaic ability. Prior to this sudden popularity, 2D HOP materials were driving intense activity in the field of optoelectronics. Such developments have been enriched by the recent ability to synthesize colloidal nanostructures of controlled sizes of 2D and 3D HOP. This raises the need to achieve a thorough description of the electronic structure and dielectric properties of these systems. In this work, we go beyond the abrupt dielectric interface model and reach the atomic scale description. We examine the influence of the nature of the halogen and of the cation on the band structure and dielectric constants. Similarly, we survey the effect of dimensionality and shape of the perovskite. In agreement with recent experimental results, we show an increase of the band gap and a decrease of ε∞ when the size of a nanoplatelet reduces. By inspecting 2D HOP, we find that it cannot be described as a simple superposition of independent inorganic and organic layers. Finally, the dramatic impact of ionic contributions on the dielectric constant εs is analysed.Quantum confinement as well as high frequency ε∞ and static εs dielectric profiles are described for nanoplatelets of halide inorganic perovskites CsPbX3 (X = I, Br, Cl) and hybrid organic-inorganic perovskites (HOP) in two-dimensional (2D) and three-dimensional (3D) structures. 3D HOP are currently being sought for their impressive photovoltaic ability. Prior to this sudden popularity, 2D HOP materials were driving intense activity in the field of optoelectronics. Such developments have been enriched by the recent ability to synthesize colloidal nanostructures of controlled

Two-Dimensional Materials for Sensing: Graphene and Beyond

Directory of Open Access Journals (Sweden)

Seba Sara Varghese

2015-09-01

Full Text Available Two-dimensional materials have attracted great scientific attention due to their unusual and fascinating properties for use in electronics, spintronics, photovoltaics, medicine, composites, etc. Graphene, transition metal dichalcogenides such as MoS2, phosphorene, etc., which belong to the family of two-dimensional materials, have shown great promise for gas sensing applications due to their high surface-to-volume ratio, low noise and sensitivity of electronic properties to the changes in the surroundings. Two-dimensional nanostructured semiconducting metal oxide based gas sensors have also been recognized as successful gas detection devices. This review aims to provide the latest advancements in the field of gas sensors based on various two-dimensional materials with the main focus on sensor performance metrics such as sensitivity, specificity, detection limit, response time, and reversibility. Both experimental and theoretical studies on the gas sensing properties of graphene and other two-dimensional materials beyond graphene are also discussed. The article concludes with the current challenges and future prospects for two-dimensional materials in gas sensor applications.

Methyl halide emission estimates from domestic biomass burning in Africa

Science.gov (United States)

Mead, M. I.; Khan, M. A. H.; White, I. R.; Nickless, G.; Shallcross, D. E.

Inventories of methyl halide emissions from domestic burning of biomass in Africa, from 1950 to the present day and projected to 2030, have been constructed. By combining emission factors from Andreae and Merlet [2001. Emission of trace gases and aerosols from biomass burning. Global Biogeochemical Cycles 15, 955-966], the biomass burning estimates from Yevich and Logan [2003. An assessment of biofuel use and burning of agricultural waste in the developing world. Global Biogeochemical Cycles 17(4), 1095, doi:10.1029/2002GB001952] and the population data from the UN population division, the emission of methyl halides from domestic biomass usage in Africa has been estimated. Data from this study suggest that methyl halide emissions from domestic biomass burning have increased by a factor of 4-5 from 1950 to 2005 and based on the expected population growth could double over the next 25 years. This estimated change has a non-negligible impact on the atmospheric budgets of methyl halides.

Solar cells, structures including organometallic halide perovskite monocrystalline films, and methods of preparation thereof

KAUST Repository

Bakr, Osman M.

2017-03-02

Embodiments of the present disclosure provide for solar cells including an organometallic halide perovskite monocrystalline film (see fig. 1.1B), other devices including the organometallic halide perovskite monocrystalline film, methods of making organometallic halide perovskite monocrystalline film, and the like.

Two-dimensional calculus

CERN Document Server

Osserman, Robert

2011-01-01

The basic component of several-variable calculus, two-dimensional calculus is vital to mastery of the broader field. This extensive treatment of the subject offers the advantage of a thorough integration of linear algebra and materials, which aids readers in the development of geometric intuition. An introductory chapter presents background information on vectors in the plane, plane curves, and functions of two variables. Subsequent chapters address differentiation, transformations, and integration. Each chapter concludes with problem sets, and answers to selected exercises appear at the end o

Methyl halide fluxes from tropical plants under controlled radiation and temperature regimes

Science.gov (United States)

Blei, Emanuel; Yokouchi, Yoko; Saito, Takuya; Nozoe, Susumu

2015-04-01

Methyl halides (CH3Cl, CH3Br, CH3I) contribute significantly to the halogen burden of the atmosphere and have the potential to influence the stratospheric ozone layer through their catalytic effect in the Chapman cycle. As such they have been studied over the years, and many plants and biota have been examined for their potential to act as a source of these gases. One of the potentially largest terrestrial sources identified was tropical vegetation such as tropical ferns and Dipterocarp trees. Most of these studies concentrated on the identification and quantification of such fluxes rather than their characteristics and often the chambers used in these studies were either opaque or only partially transparent to the full solar spectrum. Therefore it is not certain to which degree emissions of methyl halides are innate to the plants and how much they might vary due to radiation or temperature conditions inside the enclosures. In a separate development it had been proposed that UV-radiation could cause live plant materials to be become emitters of methane even under non-anoxic conditions. As methane is chemically very similar to methyl halides and had been proposed to be produced from methyl-groups ubiquitously found in plant cell material there is a relatively good chance that such a production mechanism would also apply to methyl halides. To test whether radiation can affect elevated emissions of methyl halides from plant materials and to distinguish this from temperature effects caused by heat build-up in chambers a set of controlled laboratory chamber enclosures under various radiation and temperature regimes was conducted on four different tropical plant species (Magnolia grandiflora, Cinnamonum camphora, Cyathea lepifera, Angiopteris lygodiifolia), the latter two of which had previously been identified as strong methyl halide emitters. Abscised leaf samples of these species were subjected to radiation treatments such UV-B, UV-A and broad spectrum radiation

Phase transitions in two-dimensional systems

International Nuclear Information System (INIS)

Salinas, S.R.A.

1983-01-01

Some experiences are related using synchrotron radiation beams, to characterize solid-liquid (fusion) and commensurate solid-uncommensurate solid transitions in two-dimensional systems. Some ideas involved in the modern theories of two-dimensional fusion are shortly exposed. The systems treated consist of noble gases (Kr,Ar,Xe) adsorbed in the basal plane of graphite and thin films formed by some liquid crystal shells. (L.C.) [pt

Definition of a high intensity metal halide discharge reference lamp

NARCIS (Netherlands)

Stoffels, W.W.; Baede, A.H.F.M.; Mullen, van der J.J.A.M.; Haverlag, M.; Zissis, G.

2006-01-01

The design of a ref. metal halide discharge lamp is presented. This lamp is meant as a common study object for researchers working on metal halide discharge lamps, who by using the same design will be able to compare results between research groups, diagnostic techniques and numerical models. The

The theory of critical phenomena in two-dimensional systems

International Nuclear Information System (INIS)

Olvera de la C, M.

1981-01-01

An exposition of the theory of critical phenomena in two-dimensional physical systems is presented. The first six chapters deal with the mean field theory of critical phenomena, scale invariance of the thermodynamic functions, Kadanoff's spin block construction, Wilson's renormalization group treatment of critical phenomena in configuration space, and the two-dimensional Ising model on a triangular lattice. The second part of this work is made of four chapters devoted to the application of the ideas expounded in the first part to the discussion of critical phenomena in superfluid films, two-dimensional crystals and the two-dimensional XY model of magnetic systems. Chapters seven to ten are devoted to the following subjects: analysis of long range order in one, two, and three-dimensional physical systems. Topological defects in the XY model, in superfluid films and in two-dimensional crystals. The Thouless-Kosterlitz iterated mean field theory of the dipole gas. The renormalization group treatment of the XY model, superfluid films and two-dimensional crystal. (author)

White-Light Emission from Layered Halide Perovskites.

Science.gov (United States)

Smith, Matthew D; Karunadasa, Hemamala I

2018-03-20

exciton couples strongly to the lattice, creating transient elastic lattice distortions that can be viewed as "excited-state defects". These deformations stabilize the exciton affording a broad emission with a large Stokes shift. Although material defects very likely contribute to the emission width, our mechanistic studies suggest that the emission mostly arises from the bulk material. Ultrafast spectroscopic measurements support self-trapping, with new, transient, electronic states appearing upon photoexcitation. Importantly, the broad emission appears common to layered Pb-Br and Pb-Cl perovskites, albeit with a strong temperature dependence. Although the emission is attributed to light-induced defects, it still reflects changes in the crystal structure. We find that greater out-of-plane octahedral tilting increases the propensity for the broad emission, enabling synthetic control over the broad emission. Many of these perovskites have color rendering abilities that exceed commercial requirements and mixing halides affords both "warm" and "cold" white light. The most efficient white-light-emitting perovskite has a quantum efficiency of 9%. Improving this value will make these phosphors attractive for solid-state lighting, particularly as large-area coatings that can be deposited inexpensively. The emission mechanism can also be extended to other low-dimensional systems. We hope this Account aids in expanding the phase space of white-light emitters and controlling their exciton dynamics by the synthetic, spectroscopic, theoretical, and engineering communities.

78 FR 51463 - Energy Conservation Program: Energy Conservation Standards for Metal Halide Lamp Fixtures

Science.gov (United States)

2013-08-20

... merging the metal halide lamp fixture and the high-intensity discharge (HID) lamp rulemakings. This NOPR... Conservation Program: Energy Conservation Standards for Metal Halide Lamp Fixtures; Proposed Rule #0;#0;Federal...: Energy Conservation Standards for Metal Halide Lamp Fixtures AGENCY: Office of Energy Efficiency and...

Energetics of the ruthenium-halide bond in olefin metathesis (pre)catalysts

KAUST Repository

Falivene, Laura; Poater, Albert; Cazin, Catherine S J; Slugovc, Christian; Cavallo, Luigi

2013-01-01

A DFT analysis of the strength of the Ru-halide bond in a series of typical olefin metathesis (pre)catalysts is presented. The calculated Ru-halide bond energies span the rather broad window of 25-43 kcal mol-1. This indicates that in many systems dissociation of the Ru-halide bond is possible and is actually competitive with dissociation of the labile ligand generating the 14e active species. Consequently, formation of cationic Ru species in solution should be considered as a possible event. © 2013 The Royal Society of Chemistry.

Development of halide copper vapor laser (the characteristics of using Cul)

International Nuclear Information System (INIS)

Oouti, Kazumi; Wada, Yukio; Sasao, Nobuyuki

1990-01-01

We are developing halide copper vapor laser that is high efficiency and high reputation rate visible laser. Halide copper vapor laser uses halide copper of copper vapor source. It melts low temperature in comporison with metal copper, because laser tube structure is very simple and it can operate easy. This time, we experiment to use Cul for copper vapor source. We resulted maximum output energy 17.8 (W) and maximum efficiency 0.78 (%) when operate condition was reputation rate 30 (kHz), gas pressure 90 (Torr), charging voltage 13 (kV). (author)

Homocoupling of benzyl halides catalyzed by POCOP-nickel pincer complexes

KAUST Repository

Chen, Tao

2012-08-01

Two types of POCOP-nickel(II) pincer complexes were prepared by mixing POCOP pincer ligands and NiX 2 in toluene at reflux. The resulting nickel complexes efficiently catalyze the homocoupling reactions of benzyl halides in the presence of zinc. The coupled products were obtained in excellent to quantitative yields. © 2012 Elsevier Ltd. All rights reserved.

Systemic analysis of thermodynamic properties of lanthanide halides

International Nuclear Information System (INIS)

Mirsaidov, U.; Badalov, A.; Marufi, V.K.

1992-01-01

System analysis of thermodynamic characteristics of lanthanide halides was carried out. A method making allowances for the influence of spin and orbital moments of momentum of the main states of lanthanide trivalent ions in their natural series was employed. Unknown in literature thermodynamic values were calculated and corrected for certain compounds. The character of lanthanide halide thermodynamic parameter change depending on ordinal number of the metals was ascertained. Pronouncement of tetrad-effect in series of compounds considered was pointed out

Chemical vapor deposition growth of single-crystalline cesium lead halide microplatelets and heterostructures for optoelectronic applications

Institute of Scientific and Technical Information of China (English)

Yiliu Wang; Xun Guan; Dehui Li; Hung-Chieh Cheng; Xidong Duan; Zhaoyang Lin; Xiangfeng Duan

2017-01-01

Orgaruc-inorganic hybrid halide perovskites,such as CH3NH3PbI3,have emerged as an exciting class of materials for solar photovoltaic applications;however,they are currently plagued by insufficient environmental stability.To solve this issue,all-inorganic halide perovskites have been developed and shown to exhibit significantly improved stability.Here,we report a single-step chemical vapor deposition growth of cesium lead halide (CsPbX3) microcrystals.Optical microscopy studies show that the resulting perovskite crystals predominantly adopt a square-platelet morphology.Powder X-ray diffraction (PXRD) studies of the resulting crystals demonstrate a highly crystalline nature,with CsPbC13,CsPbBr3,and CsPbI3 showing tetragonal,monoclinic,and orthorhombic phases,respectively.Scanning electron microscopy (SEM) and atomic force microscopy (AFM) studies show that the resulting platelets exhibit well-faceted structures with lateral dimensions of the order of 10-50 μm,thickness around 1 μm,and ultra-smooth surface,suggesting the absence of obvious grain boundaries and the single-crystalline nature of the individual microplatelets.Photoluminescence (PL) images and spectroscopic studies show a uniform and intense emission consistent with the expected band edge transition.Additionally,PL images show brighter emission around the edge of the platelets,demonstrating a wave-guiding effect in high-quality crystals.With a well-defined geometry and ultra-smooth surface,the square platelet structure can function as a whispering gallery mode cavity with a quality factor up to 2,863 to support laser emission at room temperature.Finally,we demonstrate that such microplatelets can be readily grown on a variety of substrates,including silicon,graphene,and other two-dimensional materials such as molybdenum disulfide,which can readily allow the construction of heterostructure optoelectronic devices,including a graphene/perovskite/ graphene vertically-stacked photodetector with

Potential Malaysia agricultural waste materials for the biosorption of cadmium(II) from aqueous solution

Energy Technology Data Exchange (ETDEWEB)

Foo, L.P.Y.; Tee, C.Z.; Raimy, N.R.; Hassell, D.G.; Lee, L.Y. [University of Nottingham Malaysia Campus, Semenyih, Selangor (Malaysia)

2012-04-15

Biosorption of cadmium(II) ions (Cd{sup 2+}) onto Ananas comosus (AC) peel, Parkia speciosa (PS) pods and Psidium guajava (PG) peel were investigated in this study. Batch sorption experiments were performed by investigating the effect of initial pH. It was found that Cd{sup 2+} uptake was highly dependent on the initial pH and Cd{sup 2+} removal efficiency was highest for PG peel, followed by AC peel and PS pods. Biosorption experiments were carried out using different initial Cd{sup 2+} concentration and the experimental data obtained was fitted to both Langmuir and Freundlich isotherms. The experimental data was found to best fit the Langmuir isotherm, and adsorption capacities of 18.21 mg/g (AC peel), 25.64 mg/g (PS pods) and 39.68 mg/g (PG peel) were obtained. Comparison with published adsorption capacities for other low-cost biosorbents indicates that PS pods and PG peel have potential as low-cost biosorbent materials for the removal of Cd{sup 2+} from aqueous solution. (orig.)

Two- and three-dimensional CT analysis of ankle fractures

International Nuclear Information System (INIS)

Magid, D.; Fishman, E.K.; Ney, D.R.; Kuhlman, J.E.

1988-01-01

CT with coronal and sagittal reformatting (two-dimensional CT) and animated volumetric image rendering (three-dimensional CT) was used to assess ankle fractures. Partial volume limits transaxial CT in assessments of horizontally oriented structures. Two-dimensional CT, being orthogonal to the plafond, superior mortise, talar dome, and tibial epiphysis, often provides the most clinically useful images. Two-dimensional CT is most useful in characterizing potentially confusing fractures, such as Tillaux (anterior tubercle), triplane, osteochondral talar dome, or nondisplaced talar neck fractures, and it is the best study to confirm intraarticular fragments. Two-and three-dimensional CT best indicate the percentage of articular surface involvement and best demonstrate postoperative results or complications (hardware migration, residual step-off, delayed union, DJD, AVN, etc). Animated three-dimensional images are the preferred means of integrating the two-dimensional findings for surgical planning, as these images more closely simulate the clinical problem

On two-dimensionalization of three-dimensional turbulence in shell models

DEFF Research Database (Denmark)

Chakraborty, Sagar; Jensen, Mogens Høgh; Sarkar, A.

2010-01-01

Applying a modified version of the Gledzer-Ohkitani-Yamada (GOY) shell model, the signatures of so-called two-dimensionalization effect of three-dimensional incompressible, homogeneous, isotropic fully developed unforced turbulence have been studied and reproduced. Within the framework of shell m......-similar PDFs for longitudinal velocity differences are also presented for the rotating 3D turbulence case....

Two-dimensional turbulent convection

Science.gov (United States)

Mazzino, Andrea

2017-11-01

We present an overview of the most relevant, and sometimes contrasting, theoretical approaches to Rayleigh-Taylor and mean-gradient-forced Rayleigh-Bénard two-dimensional turbulence together with numerical and experimental evidences for their support. The main aim of this overview is to emphasize that, despite the different character of these two systems, especially in relation to their steadiness/unsteadiness, turbulent fluctuations are well described by the same scaling relationships originated from the Bolgiano balance. The latter states that inertial terms and buoyancy terms balance at small scales giving rise to an inverse kinetic energy cascade. The main difference with respect to the inverse energy cascade in hydrodynamic turbulence [R. H. Kraichnan, "Inertial ranges in two-dimensional turbulence," Phys. Fluids 10, 1417 (1967)] is that the rate of cascade of kinetic energy here is not constant along the inertial range of scales. Thanks to the absence of physical boundaries, the two systems here investigated turned out to be a natural physical realization of the Kraichnan scaling regime hitherto associated with the elusive "ultimate state of thermal convection" [R. H. Kraichnan, "Turbulent thermal convection at arbitrary Prandtl number," Phys. Fluids 5, 1374-1389 (1962)].

Multi-perspective views of students’ difficulties with one-dimensional vector and two-dimensional vector

Science.gov (United States)

Fauzi, Ahmad; Ratna Kawuri, Kunthi; Pratiwi, Retno

2017-01-01

Researchers of students’ conceptual change usually collects data from written tests and interviews. Moreover, reports of conceptual change often simply refer to changes in concepts, such as on a test, without any identification of the learning processes that have taken place. Research has shown that students have difficulties with vectors in university introductory physics courses and high school physics courses. In this study, we intended to explore students’ understanding of one-dimensional and two-dimensional vector in multi perspective views. In this research, we explore students’ understanding through test perspective and interviews perspective. Our research study adopted the mixed-methodology design. The participants of this research were sixty students of third semester of physics education department. The data of this research were collected by testand interviews. In this study, we divided the students’ understanding of one-dimensional vector and two-dimensional vector in two categories, namely vector skills of the addition of one-dimensionaland two-dimensional vector and the relation between vector skills and conceptual understanding. From the investigation, only 44% of students provided correct answer for vector skills of the addition of one-dimensional and two-dimensional vector and only 27% students provided correct answer for the relation between vector skills and conceptual understanding.

Optimizing separations in online comprehensive two-dimensional liquid chromatography.

Science.gov (United States)

Pirok, Bob W J; Gargano, Andrea F G; Schoenmakers, Peter J

2018-01-01

Online comprehensive two-dimensional liquid chromatography has become an attractive option for the analysis of complex nonvolatile samples found in various fields (e.g. environmental studies, food, life, and polymer sciences). Two-dimensional liquid chromatography complements the highly popular hyphenated systems that combine liquid chromatography with mass spectrometry. Two-dimensional liquid chromatography is also applied to the analysis of samples that are not compatible with mass spectrometry (e.g. high-molecular-weight polymers), providing important information on the distribution of the sample components along chemical dimensions (molecular weight, charge, lipophilicity, stereochemistry, etc.). Also, in comparison with conventional one-dimensional liquid chromatography, two-dimensional liquid chromatography provides a greater separation power (peak capacity). Because of the additional selectivity and higher peak capacity, the combination of two-dimensional liquid chromatography with mass spectrometry allows for simpler mixtures of compounds to be introduced in the ion source at any given time, improving quantitative analysis by reducing matrix effects. In this review, we summarize the rationale and principles of two-dimensional liquid chromatography experiments, describe advantages and disadvantages of combining different selectivities and discuss strategies to improve the quality of two-dimensional liquid chromatography separations. © 2017 The Authors. Journal of Separation Science published by WILEY-VCH Verlag GmbH & Co. KGaA.

Synergistic effect of halide ions on the corrosion inhibition of aluminium in H2SO4 using 2-acetylphenothiazine

International Nuclear Information System (INIS)

Ebenso, E.E.

2003-01-01

The corrosion inhibition of aluminium in H 2 SO 4 in the presence of 2-acetylphenothiazine (2APTZ) at temperature range of 30-60 deg. C was studied using the weight loss and thermometric techniques. The effect of addition of halides (KCl, KBr, KI) is also reported. The inhibition efficiency (I, %) increased with increase in concentration of 2APTZ. The addition of the halides increased the inhibition efficiency to a considerable extent. The temperature increased the corrosion rate and inhibition efficiency in the range 30-60 deg. C in the absence and presence of the inhibitor and halides. Phenomenon of chemical adsorption is proposed. Flory-Huggins adsorption isotherm equation was obeyed at all the concentrations studied. The decrease in inhibition efficiency (and surface coverage values) was found to be in the order I - >Br - >Cl - which clearly indicates that the radii and the electronegativity of halides play a significant role in the adsorption process. All the data acquired reveal that 2APTZ acts as an inhibitor in the acid environment from the two techniques used. The synergistic effect of 2APTZ and halide ions is discussed

Two-dimensional liquid chromatography

DEFF Research Database (Denmark)

Græsbøll, Rune

-dimensional separation space. Optimization of gradients in online RP×RP is more difficult than in normal HPLC as a result of the increased number of parameters and their influence on each other. Modeling the coverage of the compounds across the two-dimensional chromatogram as a result of a change in gradients could...... be used for optimization purposes, and reduce the time spend on optimization. In this thesis (chapter 6), and manuscript B, a measure of the coverage of the compounds in the twodimensional separation space is defined. It is then shown that this measure can be modeled for changes in the gradient in both...

Two-dimensional simulation of sintering process

International Nuclear Information System (INIS)

Vasconcelos, Vanderley de; Pinto, Lucio Carlos Martins; Vasconcelos, Wander L.

1996-01-01

The results of two-dimensional simulations are directly applied to systems in which one of the dimensions is much smaller than the others, and to sections of three dimensional models. Moreover, these simulations are the first step of the analysis of more complex three-dimensional systems. In this work, two basic features of the sintering process are studied: the types of particle size distributions related to the powder production processes and the evolution of geometric parameters of the resultant microstructures during the solid-state sintering. Random packing of equal spheres is considered in the sintering simulation. The packing algorithm does not take into account the interactive forces between the particles. The used sintering algorithm causes the densification of the particle set. (author)

Electrochemistry of plutonium in molten halides

International Nuclear Information System (INIS)

McCurry, L.E.; Moy, G.M.M.; Bowersox, D.F.

1987-01-01

The electrochemistry of plutonium in molten halides is of technological importance as a method of purification of plutonium. Previous authors have reported that plutonium can be purified by electrorefining impure plutonium in various molten haldies. Work to eluciate the mechanism of the plutonium reduction in molten halides has been limited to a chronopotentiometric study in LiCl-KCl. Potentiometric studies have been carried out to determine the standard reduction potential for the plutonium (III) couple in various molten alkali metal halides. Initial cyclic voltammetric experiments were performed in molten KCL at 1100 K. A silver/silver chloride (10 mole %) in equimolar NaCl-KCl was used as a reference electrode. Working and counter electrodes were tungsten. The cell components and melt were contained in a quartz crucible. Background cyclic voltammograms of the KCl melt at the tungsten electrode showed no evidence of electroactive impurities in the melt. Plutonium was added to the melt as PuCl/sub 3/, which was prepared by chlorination of the oxide. At low concentrations of PuCl/sub 3/ in the melt (0.01-0.03 molar), no reduction wave due to the reduction of Pu(III) was observed in the voltammograms up to the potassium reduction limit of the melt. However on scan reversal after scanning into the potassium reduction limit a new oxidation wave was observed

An alkaline tin(II) halide compound Na{sub 3}Sn{sub 2}F{sub 6}Cl: Synthesis, structure, and characterization

Energy Technology Data Exchange (ETDEWEB)

Gong, Pifu [Beijing Center for Crystal Research and Development, Key Laboratory of Functional Crystals and Laser Technology, Technical Institute of Physics and Chemistry, Chinese Academy of Sciences, Beijing 100190 (China); University of the Chinese Academy of Sciences, Beijing 100049 (China); Luo, Siyang [Beijing Center for Crystal Research and Development, Key Laboratory of Functional Crystals and Laser Technology, Technical Institute of Physics and Chemistry, Chinese Academy of Sciences, Beijing 100190 (China); Huang, Qian; Yang, Yi [Beijing Center for Crystal Research and Development, Key Laboratory of Functional Crystals and Laser Technology, Technical Institute of Physics and Chemistry, Chinese Academy of Sciences, Beijing 100190 (China); University of the Chinese Academy of Sciences, Beijing 100049 (China); Jiang, Xingxing [Beijing Center for Crystal Research and Development, Key Laboratory of Functional Crystals and Laser Technology, Technical Institute of Physics and Chemistry, Chinese Academy of Sciences, Beijing 100190 (China); Liang, Fei [Beijing Center for Crystal Research and Development, Key Laboratory of Functional Crystals and Laser Technology, Technical Institute of Physics and Chemistry, Chinese Academy of Sciences, Beijing 100190 (China); University of the Chinese Academy of Sciences, Beijing 100049 (China); Chen, Chuangtian [Beijing Center for Crystal Research and Development, Key Laboratory of Functional Crystals and Laser Technology, Technical Institute of Physics and Chemistry, Chinese Academy of Sciences, Beijing 100190 (China); Lin, Zheshuai, E-mail: zslin@mail.ipc.ac.cn [Beijing Center for Crystal Research and Development, Key Laboratory of Functional Crystals and Laser Technology, Technical Institute of Physics and Chemistry, Chinese Academy of Sciences, Beijing 100190 (China); University of the Chinese Academy of Sciences, Beijing 100049 (China)

2017-04-15

A new alkali tin(II) halide compound, Na{sub 3}Sn{sub 2}F{sub 6}Cl, is synthesized by hydrothermal method. This compound crystallizes trigonally in space group of R-3c (167), and processes a zero-dimensional (0D) structure consisted of Na{sup +} cations, Cl{sup −} anions and the isolated [SnF{sub 3}]{sup -} trigonal pyramids in which the stereochemically active 5s{sup 2} lone pair electrons are attached to the Sn{sup 2+} cations. Interestingly, the [SnF{sub 3}]{sup −} trigonal pyramids are parallel arranged in the a-b plane, while oppositely arranged in line with rotation along the c- axis. Moreover, the energy bandgap, thermal stability and electronic structure of Na{sub 3}Sn{sub 2}F{sub 6}Cl are characterized and the results reveal that this compound has and indirect bandgap of 3.88 eV and is stable under 270 °C. - Graphical abstract: A zero-dimensional alkaline tin halide compound, Na{sub 3}Sn{sub 2}F{sub 6}Cl, is synthesized by hydrothermal method. Interestingly, both the anions and cations coordinating polyhedra exhibit order arranged with the [SnF{sub 3}]{sup -} trigonal pyramids rotating along the c- axis.

Impact of the organic halide salt on final perovskite composition for photovoltaic applications

KAUST Repository

Moore, David T.

2014-08-01

The methylammonium lead halide perovskites have shown significant promise as a low-cost, second generation, photovoltaic material.Despite recent advances, however, there are still a number of fundamental aspects of their formation as well as their physical and electronic behavior that are not well understood. In this letter we explore the mechanism by which these materials crystallize by testing the outcome of each of the reagent halide salts. We find that components of both salts, lead halide and methylammonium halide, are relatively mobile and can be readily exchanged during the crystallization process when the reaction is carried out in solution or in the solid state. We exploit this fact by showing that the perovskite structure is formed even when the lead salt\\'s anion is a non-halide, leading to lower annealing temperature and time requirements for film formation. Studies into these behaviors may ultimately lead to improved processing conditions for photovoltaic films. © 2014 Author(s).

Impact of the organic halide salt on final perovskite composition for photovoltaic applications

Directory of Open Access Journals (Sweden)

David T. Moore

2014-08-01

Full Text Available The methylammonium lead halide perovskites have shown significant promise as a low-cost, second generation, photovoltaic material. Despite recent advances, however, there are still a number of fundamental aspects of their formation as well as their physical and electronic behavior that are not well understood. In this letter we explore the mechanism by which these materials crystallize by testing the outcome of each of the reagent halide salts. We find that components of both salts, lead halide and methylammonium halide, are relatively mobile and can be readily exchanged during the crystallization process when the reaction is carried out in solution or in the solid state. We exploit this fact by showing that the perovskite structure is formed even when the lead salt's anion is a non-halide, leading to lower annealing temperature and time requirements for film formation. Studies into these behaviors may ultimately lead to improved processing conditions for photovoltaic films.

Chaotic dynamics in two-dimensional noninvertible maps

CERN Document Server

Mira, Christian; Cathala, Jean-Claude; Gardini, Laura

1996-01-01

This book is essentially devoted to complex properties (Phase plane structure and bifurcations) of two-dimensional noninvertible maps, i.e. maps having either a non-unique inverse, or no real inverse, according to the plane point. They constitute models of sets of discrete dynamical systems encountered in Engineering (Control, Signal Processing, Electronics), Physics, Economics, Life Sciences. Compared to the studies made in the one-dimensional case, the two-dimensional situation remained a long time in an underdeveloped state. It is only since these last years that the interest for this resea

Application of a method for comparing one-dimensional and two-dimensional models of a ground-water flow system

International Nuclear Information System (INIS)

Naymik, T.G.

1978-01-01

To evaluate the inability of a one-dimensional ground-water model to interact continuously with surrounding hydraulic head gradients, simulations using one-dimensional and two-dimensional ground-water flow models were compared. This approach used two types of models: flow-conserving one-and-two dimensional models, and one-dimensional and two-dimensional models designed to yield two-dimensional solutions. The hydraulic conductivities of controlling features were varied and model comparison was based on the travel times of marker particles. The solutions within each of the two model types compare reasonably well, but a three-dimensional solution is required to quantify the comparison

Pure Cs4PbBr6: Highly Luminescent Zero-Dimensional Perovskite Solids

KAUST Repository

Saidaminov, Makhsud I.; Almutlaq, Jawaher; Sarmah, Smritakshi P.; Dursun, Ibrahim; Zhumekenov, Ayan A.; Begum, Raihana; Pan, Jun; Cho, Nam Chul; Mohammed, Omar F.; Bakr, Osman

2016-01-01

more than 2 orders of magnitude lower PLQY. Such a PLQY of Cs4PbBr6 is significantly higher than that of other solid forms of lower-dimensional metal halide perovskite derivatives and perovskite nanocrystals. We attribute this dramatic increase in PL

Design of Lead-Free Inorganic Halide Perovskites for Solar Cells via Cation-Transmutation.

Science.gov (United States)

Zhao, Xin-Gang; Yang, Ji-Hui; Fu, Yuhao; Yang, Dongwen; Xu, Qiaoling; Yu, Liping; Wei, Su-Huai; Zhang, Lijun

2017-02-22

Hybrid organic-inorganic halide perovskites with the prototype material of CH 3 NH 3 PbI 3 have recently attracted intense interest as low-cost and high-performance photovoltaic absorbers. Despite the high power conversion efficiency exceeding 20% achieved by their solar cells, two key issues-the poor device stabilities associated with their intrinsic material instability and the toxicity due to water-soluble Pb 2+ -need to be resolved before large-scale commercialization. Here, we address these issues by exploiting the strategy of cation-transmutation to design stable inorganic Pb-free halide perovskites for solar cells. The idea is to convert two divalent Pb 2+ ions into one monovalent M + and one trivalent M 3+ ions, forming a rich class of quaternary halides in double-perovskite structure. We find through first-principles calculations this class of materials have good phase stability against decomposition and wide-range tunable optoelectronic properties. With photovoltaic-functionality-directed materials screening, we identify 11 optimal materials with intrinsic thermodynamic stability, suitable band gaps, small carrier effective masses, and low excitons binding energies as promising candidates to replace Pb-based photovoltaic absorbers in perovskite solar cells. The chemical trends of phase stabilities and electronic properties are also established for this class of materials, offering useful guidance for the development of perovskite solar cells fabricated with them.

Two-dimensional analytic weighting functions for limb scattering

Science.gov (United States)

Zawada, D. J.; Bourassa, A. E.; Degenstein, D. A.

2017-10-01

Through the inversion of limb scatter measurements it is possible to obtain vertical profiles of trace species in the atmosphere. Many of these inversion methods require what is often referred to as weighting functions, or derivatives of the radiance with respect to concentrations of trace species in the atmosphere. Several radiative transfer models have implemented analytic methods to calculate weighting functions, alleviating the computational burden of traditional numerical perturbation methods. Here we describe the implementation of analytic two-dimensional weighting functions, where derivatives are calculated relative to atmospheric constituents in a two-dimensional grid of altitude and angle along the line of sight direction, in the SASKTRAN-HR radiative transfer model. Two-dimensional weighting functions are required for two-dimensional inversions of limb scatter measurements. Examples are presented where the analytic two-dimensional weighting functions are calculated with an underlying one-dimensional atmosphere. It is shown that the analytic weighting functions are more accurate than ones calculated with a single scatter approximation, and are orders of magnitude faster than a typical perturbation method. Evidence is presented that weighting functions for stratospheric aerosols calculated under a single scatter approximation may not be suitable for use in retrieval algorithms under solar backscatter conditions.

Observation of vapor pressure enhancement of rare-earth metal-halide salts in the temperature range relevant to metal-halide lamps

Energy Technology Data Exchange (ETDEWEB)

Curry, J. J.; Henins, A.; Hardis, J. E. [National Institute of Standards and Technology, Gaithersburg, Maryland 20899 (United States); Estupinan, E. G. [Osram Sylvania Inc., Beverly, Massachusetts 01915 (United States); Lapatovich, W. P. [Independent Consultant, 51 Pye Brook Lane, Boxford, Massachusetts 01921 (United States); Shastri, S. D. [Advanced Photon Source, Argonne National Laboratory, Argonne, Illinois 60439 (United States)

2012-02-20

Total vapor-phase densities of Dy in equilibrium with a DyI{sub 3}/InI condensate and Tm in equilibrium with a TmI{sub 3}/TlI condensate have been measured for temperatures between 900 K and 1400 K. The measurements show strong enhancements in rare-earth vapor densities compared to vapors in equilibrium with the pure rare-earth metal-halides. The measurements were made with x-ray induced fluorescence on the sector 1-ID beam line at the Advanced Photon Source. The temperature range and salt mixtures are relevant to the operation of metal-halide high-intensity discharge lamps.

Depth-enhanced three-dimensional-two-dimensional convertible display based on modified integral imaging.

Science.gov (United States)

Park, Jae-Hyeung; Kim, Hak-Rin; Kim, Yunhee; Kim, Joohwan; Hong, Jisoo; Lee, Sin-Doo; Lee, Byoungho

2004-12-01

A depth-enhanced three-dimensional-two-dimensional convertible display that uses a polymer-dispersed liquid crystal based on the principle of integral imaging is proposed. In the proposed method, a lens array is located behind a transmission-type display panel to form an array of point-light sources, and a polymer-dispersed liquid crystal is electrically controlled to pass or to scatter light coming from these point-light sources. Therefore, three-dimensional-two-dimensional conversion is accomplished electrically without any mechanical movement. Moreover, the nonimaging structure of the proposed method increases the expressible depth range considerably. We explain the method of operation and present experimental results.

Ultrafast time-resolved spectroscopy of lead halide perovskite films

Science.gov (United States)

Idowu, Mopelola A.; Yau, Sung H.; Varnavski, Oleg; Goodson, Theodore

2015-09-01

Recently, lead halide perovskites which are organic-inorganic hybrid structures, have been discovered to be highly efficient as light absorbers. Herein, we show the investigation of the excited state dynamics and emission properties of non-stoichiometric precursor formed lead halide perovskites grown by interdiffusion method using steady-state and time-resolved spectroscopic measurements. The influence of the different ratios of the non-stoichiometric precursor solution was examined. The observed photoluminescence properties were correlated with the femtosecond transient absorption measurements.

Functional inks and printing of two-dimensional materials.

Science.gov (United States)

Hu, Guohua; Kang, Joohoon; Ng, Leonard W T; Zhu, Xiaoxi; Howe, Richard C T; Jones, Christopher G; Hersam, Mark C; Hasan, Tawfique

2018-05-08

Graphene and related two-dimensional materials provide an ideal platform for next generation disruptive technologies and applications. Exploiting these solution-processed two-dimensional materials in printing can accelerate this development by allowing additive patterning on both rigid and conformable substrates for flexible device design and large-scale, high-speed, cost-effective manufacturing. In this review, we summarise the current progress on ink formulation of two-dimensional materials and the printable applications enabled by them. We also present our perspectives on their research and technological future prospects.

Lanthanide doped strontium-barium cesium halide scintillators

Science.gov (United States)

Bizarri, Gregory; Bourret-Courchesne, Edith; Derenzo, Stephen E.; Borade, Ramesh B.; Gundiah, Gautam; Yan, Zewu; Hanrahan, Stephen M.; Chaudhry, Anurag; Canning, Andrew

2015-06-09

The present invention provides for a composition comprising an inorganic scintillator comprising an optionally lanthanide-doped strontium-barium, optionally cesium, halide, useful for detecting nuclear material.

K-FIX: a computer program for transient, two-dimensional, two-fluid flow. THREED: an extension of the K-FIX code for three-dimensional calculations

International Nuclear Information System (INIS)

Rivard, W.C.; Torrey, M.D.

1978-10-01

The transient, two-dimensional, two-fluid code K-FIX has been extended to perform three-dimensional calculations. This capability is achieved by adding five modification sets of FORTRAN statements to the basic two-dimensional code. The modifications are listed and described, and a complete listing of the three-dimensional code is provided. Results of an example problem are provided for verification

Two-dimensional critical phenomena

International Nuclear Information System (INIS)

Saleur, H.

1987-09-01

Two dimensional critical systems are studied using transformation to free fields and conformal invariance methods. The relations between the two approaches are also studied. The analytical results obtained generally depend on universality hypotheses or on renormalization group trajectories which are not established rigorously, so numerical verifications, mainly using the transfer matrix approach, are presented. The exact determination of critical exponents; the partition functions of critical models on toruses; and results as the critical point is approached are discussed [fr

Separation and preconcentration of ultratrace levels of cadmium(II) in a sequential injection (SI) system with a PTFE packed column as a mimic sequential injection lab-on-valve (SI-LOV) system with renewable column employing detection by electrothermal atomic absorption spectrometry (ETAAS)

DEFF Research Database (Denmark)

Long, Xiangbao; Chomchoei, Roongrat; Gała, Piotr

of cadmium(II) by detection with electrothermal atomic absorption spectrometry (ETAAS). The non-charged complex formed between the analyste and the chelating reagent diethyldithiophosphate (DDPA) was selectively adsorbed on the surface of the PTFE beads and eluted by ethanol before being directed...

Two-dimensional capillary origami

Energy Technology Data Exchange (ETDEWEB)

Brubaker, N.D., E-mail: nbrubaker@math.arizona.edu; Lega, J., E-mail: lega@math.arizona.edu

2016-01-08

We describe a global approach to the problem of capillary origami that captures all unfolded equilibrium configurations in the two-dimensional setting where the drop is not required to fully wet the flexible plate. We provide bifurcation diagrams showing the level of encapsulation of each equilibrium configuration as a function of the volume of liquid that it contains, as well as plots representing the energy of each equilibrium branch. These diagrams indicate at what volume level the liquid drop ceases to be attached to the endpoints of the plate, which depends on the value of the contact angle. As in the case of pinned contact points, three different parameter regimes are identified, one of which predicts instantaneous encapsulation for small initial volumes of liquid. - Highlights: • Full solution set of the two-dimensional capillary origami problem. • Fluid does not necessarily wet the entire plate. • Global energy approach provides exact differential equations satisfied by minimizers. • Bifurcation diagrams highlight three different regimes. • Conditions for spontaneous encapsulation are identified.

Two-dimensional capillary origami

International Nuclear Information System (INIS)

Brubaker, N.D.; Lega, J.

2016-01-01

We describe a global approach to the problem of capillary origami that captures all unfolded equilibrium configurations in the two-dimensional setting where the drop is not required to fully wet the flexible plate. We provide bifurcation diagrams showing the level of encapsulation of each equilibrium configuration as a function of the volume of liquid that it contains, as well as plots representing the energy of each equilibrium branch. These diagrams indicate at what volume level the liquid drop ceases to be attached to the endpoints of the plate, which depends on the value of the contact angle. As in the case of pinned contact points, three different parameter regimes are identified, one of which predicts instantaneous encapsulation for small initial volumes of liquid. - Highlights: • Full solution set of the two-dimensional capillary origami problem. • Fluid does not necessarily wet the entire plate. • Global energy approach provides exact differential equations satisfied by minimizers. • Bifurcation diagrams highlight three different regimes. • Conditions for spontaneous encapsulation are identified.

Electrochemical Exfoliation of Graphite in Aqueous Sodium Halide Electrolytes toward Low Oxygen Content Graphene for Energy and Environmental Applications.

Science.gov (United States)

Munuera, J M; Paredes, J I; Enterría, M; Pagán, A; Villar-Rodil, S; Pereira, M F R; Martins, J I; Figueiredo, J L; Cenis, J L; Martínez-Alonso, A; Tascón, J M D

2017-07-19

Graphene and graphene-based materials have shown great promise in many technological applications, but their large-scale production and processing by simple and cost-effective means still constitute significant issues in the path of their widespread implementation. Here, we investigate a straightforward method for the preparation of a ready-to-use and low oxygen content graphene material that is based on electrochemical (anodic) delamination of graphite in aqueous medium with sodium halides as the electrolyte. Contrary to previous conflicting reports on the ability of halide anions to act as efficient exfoliating electrolytes in electrochemical graphene exfoliation, we show that proper choice of both graphite electrode (e.g., graphite foil) and sodium halide concentration readily leads to the generation of large quantities of single-/few-layer graphene nanosheets possessing a degree of oxidation (O/C ratio down to ∼0.06) lower than that typical of anodically exfoliated graphenes obtained with commonly used electrolytes. The halide anions are thought to play a role in mitigating the oxidation of the graphene lattice during exfoliation, which is also discussed and rationalized. The as-exfoliated graphene materials exhibited a three-dimensional morphology that was suitable for their practical use without the need to resort to any kind of postproduction processing. When tested as dye adsorbents, they outperformed many previously reported graphene-based materials (e.g., they adsorbed ∼920 mg g -1 for methyl orange) and were useful sorbents for oils and nonpolar organic solvents. Supercapacitor cells assembled directly from the as-exfoliated products delivered energy and power density values (up to 15.3 Wh kg -1 and 3220 W kg -1 , respectively) competitive with those of many other graphene-based devices but with the additional advantage of extreme simplicity of preparation.

Designing mixed metal halide ammines for ammonia storage using density functional theory and genetic algorithms.

Science.gov (United States)

Jensen, Peter Bjerre; Lysgaard, Steen; Quaade, Ulrich J; Vegge, Tejs

2014-09-28

Metal halide ammines have great potential as a future, high-density energy carrier in vehicles. So far known materials, e.g. Mg(NH3)6Cl2 and Sr(NH3)8Cl2, are not suitable for automotive, fuel cell applications, because the release of ammonia is a multi-step reaction, requiring too much heat to be supplied, making the total efficiency lower. Here, we apply density functional theory (DFT) calculations to predict new mixed metal halide ammines with improved storage capacities and the ability to release the stored ammonia in one step, at temperatures suitable for system integration with polymer electrolyte membrane fuel cells (PEMFC). We use genetic algorithms (GAs) to search for materials containing up to three different metals (alkaline-earth, 3d and 4d) and two different halides (Cl, Br and I) - almost 27,000 combinations, and have identified novel mixtures, with significantly improved storage capacities. The size of the search space and the chosen fitness function make it possible to verify that the found candidates are the best possible candidates in the search space, proving that the GA implementation is ideal for this kind of computational materials design, requiring calculations on less than two percent of the candidates to identify the global optimum.

Sorption Efficiency of a New Sorbent towards Cadmium(II: Methylphosphonic Acid Grafted Polystyrene Resin

Directory of Open Access Journals (Sweden)

Nacer Ferrah

2013-01-01

Full Text Available A new chelating polymeric sorbent has been developed using polystyrene resin grafted with phosphonic acid. After characterization by FTIR and elementary analysis, the new resin has been investigated in liquid-solid extraction of cadmium(II. The results indicated that phosphonic resin could adsorb Cd(II ion effectively from aqueous solution. The adsorption was strongly dependent on the pH of the medium and the optimum pH value level for better sorption was between 3.2 and 5.2. The influence of other analytical parameters including contact time, amount of resin, metal ion concentration, and the presence of some electrolytes was investigated. The maximum uptake capacity of Cd(II ions was 37,9 mg·g−1 grafted resin at ambient temperature, at an initial pH value of 5.0. The overall adsorption process was best described by pseudo second-order kinetic. When Freundlich and Langmuir isotherms were tested, the latter had a better fit with the experimental data. Furthermore, more than 92% of Cd(II could be eluted by using 1.0 mol·L−1 HCl in one cycle.

Two-dimensional black holes and non-commutative spaces

International Nuclear Information System (INIS)

Sadeghi, J.

2008-01-01

We study the effects of non-commutative spaces on two-dimensional black hole. The event horizon of two-dimensional black hole is obtained in non-commutative space up to second order of perturbative calculations. A lower limit for the non-commutativity parameter is also obtained. The observer in that limit in contrast to commutative case see two horizon

luminescence in coloured alkali halide crystals

Indian Academy of Sciences (India)

have studied the effect of annealing in chlorine gas on the ML of X-rayed KCl crystals. ..... high temperature because of the thermal bleaching of the coloration in alkali halide ..... [31] J Hawkins, Ph.D. Thesis (University of Reading, 1976).

Designing mixed metal halide ammines for ammonia storage using density functional theory and genetic algorithms

DEFF Research Database (Denmark)

Jensen, Peter Bjerre; Lysgaard, Steen; Quaade, Ulrich J.

2014-01-01

electrolyte membrane fuel cells (PEMFC). We use genetic algorithms (GAs) to search for materials containing up to three different metals (alkaline-earth, 3d and 4d) and two different halides (Cl, Br and I) – almost 27000 combinations, and have identified novel mixtures, with significantly improved storage......Metal halide ammines have great potential as a future, high-density energy carrier in vehicles. So far known materials, e.g. Mg(NH3)6Cl2 and Sr(NH3)8Cl2, are not suitable for automotive, fuel cell applications, because the release of ammonia is a multi-step reaction, requiring too much heat...

Two-dimensional Navier-Stokes turbulence in bounded domains

NARCIS (Netherlands)

Clercx, H.J.H.; van Heijst, G.J.F.

In this review we will discuss recent experimental and numerical results of quasi-two-dimensional decaying and forced Navier–Stokes turbulence in bounded domains. We will give a concise overview of developments in two-dimensional turbulence research, with emphasis on the progress made during the

Two-dimensional Navier-Stokes turbulence in bounded domains

NARCIS (Netherlands)

Clercx, H.J.H.; Heijst, van G.J.F.

2009-01-01

In this review we will discuss recent experimental and numerical results of quasi-two-dimensional decaying and forced Navier–Stokes turbulence in bounded domains. We will give a concise overview of developments in two-dimensional turbulence research, with emphasis on the progress made during the

Piezoelectricity in Two-Dimensional Materials

KAUST Repository

Wu, Tao; Zhang, Hua

2015-01-01

Powering up 2D materials: Recent experimental studies confirmed the existence of piezoelectricity - the conversion of mechanical stress into electricity - in two-dimensional single-layer MoS2 nanosheets. The results represent a milestone towards

Pure Cs4PbBr6: Highly Luminescent Zero-Dimensional Perovskite Solids

KAUST Repository

Saidaminov, Makhsud I.

2016-09-26

So-called zero-dimensional perovskites, such as Cs4PbBr6, promise outstanding emissive properties. However, Cs4PbBr6 is mostly prepared by melting of precursors that usually leads to a coformation of undesired phases. Here, we report a simple low-temperature solution-processed synthesis of pure Cs4PbBr6 with remarkable emission properties. We found that pure Cs4PbBr6 in solid form exhibits a 45% photoluminescence quantum yield (PLQY), in contrast to its three-dimensional counterpart, CsPbBr3, which exhibits more than 2 orders of magnitude lower PLQY. Such a PLQY of Cs4PbBr6 is significantly higher than that of other solid forms of lower-dimensional metal halide perovskite derivatives and perovskite nanocrystals. We attribute this dramatic increase in PL to the high exciton binding energy, which we estimate to be ∼353 meV, likely induced by the unique Bergerhoff–Schmitz–Dumont-type crystal structure of Cs4PbBr6, in which metal-halide-comprised octahedra are spatially confined. Our findings bring this class of perovskite derivatives to the forefront of color-converting and light-emitting applications.

Structural stability, acidity, and halide selectivity of the fluoride riboswitch recognition site

KAUST Repository

Chawla, Mohit

2015-01-14

Using static and dynamics DFT methods we show that the Mg2+/F-/phosphate/water cluster at the center of the fluoride riboswitch is stable by its own and, once assembled, does not rely on any additional factor from the overall RNA fold. Further, we predict that the pKa of the water molecule bridging two Mg cations is around 8.4. We also demonstrate that the halide selectivity of the fluoride riboswitch is determined by the stronger Mg-F bond, which is capable of keeping together the cluster. Replacing F- with Cl- results in a cluster that is unstable under dynamic conditions. Similar conclusions on the structure and energetics of the cluster in the binding pocket of fluoride-inhibited pyrophosphatase suggest that the peculiarity of fluoride is in its ability to establish much stronger metal-halide bonds.

Structural stability, acidity, and halide selectivity of the fluoride riboswitch recognition site

KAUST Repository

Chawla, Mohit; Credendino, Raffaele; Poater, Albert; Oliva, Romina M.; Cavallo, Luigi

2015-01-01

Using static and dynamics DFT methods we show that the Mg2+/F-/phosphate/water cluster at the center of the fluoride riboswitch is stable by its own and, once assembled, does not rely on any additional factor from the overall RNA fold. Further, we predict that the pKa of the water molecule bridging two Mg cations is around 8.4. We also demonstrate that the halide selectivity of the fluoride riboswitch is determined by the stronger Mg-F bond, which is capable of keeping together the cluster. Replacing F- with Cl- results in a cluster that is unstable under dynamic conditions. Similar conclusions on the structure and energetics of the cluster in the binding pocket of fluoride-inhibited pyrophosphatase suggest that the peculiarity of fluoride is in its ability to establish much stronger metal-halide bonds.

Solution of the two-dimensional spectral factorization problem

Science.gov (United States)

Lawton, W. M.

1985-01-01

An approximation theorem is proven which solves a classic problem in two-dimensional (2-D) filter theory. The theorem shows that any continuous two-dimensional spectrum can be uniformly approximated by the squared modulus of a recursively stable finite trigonometric polynomial supported on a nonsymmetric half-plane.

Synergistic effect of halide ions on the corrosion inhibition of aluminium in H{sub 2}SO{sub 4} using 2-acetylphenothiazine

Energy Technology Data Exchange (ETDEWEB)

Ebenso, E.E

2003-03-05

The corrosion inhibition of aluminium in H{sub 2}SO{sub 4} in the presence of 2-acetylphenothiazine (2APTZ) at temperature range of 30-60 deg. C was studied using the weight loss and thermometric techniques. The effect of addition of halides (KCl, KBr, KI) is also reported. The inhibition efficiency (I, %) increased with increase in concentration of 2APTZ. The addition of the halides increased the inhibition efficiency to a considerable extent. The temperature increased the corrosion rate and inhibition efficiency in the range 30-60 deg. C in the absence and presence of the inhibitor and halides. Phenomenon of chemical adsorption is proposed. Flory-Huggins adsorption isotherm equation was obeyed at all the concentrations studied. The decrease in inhibition efficiency (and surface coverage values) was found to be in the order I{sup -}>Br{sup -}>Cl{sup -} which clearly indicates that the radii and the electronegativity of halides play a significant role in the adsorption process. All the data acquired reveal that 2APTZ acts as an inhibitor in the acid environment from the two techniques used. The synergistic effect of 2APTZ and halide ions is discussed.

Development of Two-Dimensional NMR

Indian Academy of Sciences (India)

Home; Journals; Resonance – Journal of Science Education; Volume 20; Issue 11. Development of Two-Dimensional NMR: Strucure Determination of Biomolecules in Solution. Anil Kumar. General Article Volume 20 Issue 11 November 2015 pp 995-1002 ...

ONE-DIMENSIONAL AND TWO-DIMENSIONAL LEADERSHIP STYLES

OpenAIRE

Nikola Stefanović

2007-01-01

In order to motivate their group members to perform certain tasks, leaders use different leadership styles. These styles are based on leaders' backgrounds, knowledge, values, experiences, and expectations. The one-dimensional styles, used by many world leaders, are autocratic and democratic styles. These styles lie on the two opposite sides of the leadership spectrum. In order to precisely define the leadership styles on the spectrum between the autocratic leadership style and the democratic ...

Infrared magneto-spectroscopy of two-dimensional and three-dimensional massless fermions: A comparison

Energy Technology Data Exchange (ETDEWEB)

Orlita, M., E-mail: milan.orlita@lncmi.cnrs.fr [Laboratoire National des Champs Magnétiques Intenses, CNRS-UJF-UPS-INSA, 38042 Grenoble (France); Faculty of Mathematics and Physics, Charles University, Ke Karlovu 5, 121 16 Prague 2 (Czech Republic); Faugeras, C.; Barra, A.-L.; Martinez, G.; Potemski, M. [Laboratoire National des Champs Magnétiques Intenses, CNRS-UJF-UPS-INSA, 38042 Grenoble (France); Basko, D. M. [LPMMC UMR 5493, Université Grenoble 1/CNRS, B.P. 166, 38042 Grenoble (France); Zholudev, M. S. [Laboratoire Charles Coulomb (L2C), UMR CNRS 5221, GIS-TERALAB, Université Montpellier II, 34095 Montpellier (France); Institute for Physics of Microstructures, RAS, Nizhny Novgorod GSP-105 603950 (Russian Federation); Teppe, F.; Knap, W. [Laboratoire Charles Coulomb (L2C), UMR CNRS 5221, GIS-TERALAB, Université Montpellier II, 34095 Montpellier (France); Gavrilenko, V. I. [Institute for Physics of Microstructures, RAS, Nizhny Novgorod GSP-105 603950 (Russian Federation); Mikhailov, N. N.; Dvoretskii, S. A. [A.V. Rzhanov Institute of Semiconductor Physics, Siberian Branch, Russian Academy of Sciences, Novosibirsk 630090 (Russian Federation); Neugebauer, P. [Institut für Physikalische Chemie, Universität Stuttgart, Pfaffenwaldring 55, 70569 Stuttgart (Germany); Berger, C. [School of Physics, Georgia Institute of Technology, Atlanta, Georgia 30332 (United States); Institut Néel/CNRS-UJF BP 166, F-38042 Grenoble Cedex 9 (France); Heer, W. A. de [School of Physics, Georgia Institute of Technology, Atlanta, Georgia 30332 (United States)

2015-03-21

Here, we report on a magneto-optical study of two distinct systems hosting massless fermions—two-dimensional graphene and three-dimensional HgCdTe tuned to the zero band gap condition at the point of the semiconductor-to-semimetal topological transition. Both materials exhibit, in the quantum regime, a fairly rich magneto-optical response, which is composed from a series of intra- and interband inter-Landau level resonances with for massless fermions typical √(B) dependence. The impact of the system's dimensionality and of the strength of the spin-orbit interaction on the optical response is also discussed.

One-dimensional versus two-dimensional electronic states in vicinal surfaces

International Nuclear Information System (INIS)

Ortega, J E; Ruiz-Oses, M; Cordon, J; Mugarza, A; Kuntze, J; Schiller, F

2005-01-01

Vicinal surfaces with periodic arrays of steps are among the simplest lateral nanostructures. In particular, noble metal surfaces vicinal to the (1 1 1) plane are excellent test systems to explore the basic electronic properties in one-dimensional superlattices by means of angular photoemission. These surfaces are characterized by strong emissions from free-electron-like surface states that scatter at step edges. Thereby, the two-dimensional surface state displays superlattice band folding and, depending on the step lattice constant d, it splits into one-dimensional quantum well levels. Here we use high-resolution, angle-resolved photoemission to analyse surface states in a variety of samples, in trying to illustrate the changes in surface state bands as a function of d

Densis. Densimetric representation of two-dimensional matrices

International Nuclear Information System (INIS)

Los Arcos Merino, J.M.

1978-01-01

Densis is a Fortran V program which allows off-line control of a Calcomp digital plotter, to represent a two-dimensional matrix of numerical elements in the form of a variable shading intensity map in two colours. Each matrix element is associated to a square of a grid which is traced over by lines whose number is a function of the element value according to a selected scale. Program features, subroutine structure and running instructions, are described. Some typical results, for gamma-gamma coincidence experimental data and a sampled two-dimensional function, are indicated. (author)

REPLACEMENT OF TRYPTOPHAN RESIDUES IN HALOALKANE DEHALOGENASE REDUCES HALIDE BINDING AND CATALYTIC ACTIVITY

NARCIS (Netherlands)

KENNES, C; PRIES, F; KROOSHOF, GH; BOKMA, E; Kingma, Jacob; JANSSEN, DB

1995-01-01

Haloalkane dehalogenase catalyzes the hydrolytic cleavage of carbon-halogen bonds in short-chain haloalkanes. Two tryptophan residues of the enzyme (Trp125 and Trp175) form a halide-binding site in the active-site cavity, and were proposed to play a role in catalysis. The function of these residues

Purcell effect in an organic-inorganic halide perovskite semiconductor microcavity system

International Nuclear Information System (INIS)

Wang, Jun; Wang, Yafeng; Hu, Tao; Wu, Lin; Shen, Xuechu; Chen, Zhanghai; Cao, Runan; Xu, Fei; Da, Peimei; Zheng, Gengfeng; Lu, Jian

2016-01-01

Organic-inorganic halide perovskite semiconductors with the attractive physics properties, including strong photoluminescence (PL), huge oscillator strengths, and low nonradiative recombination losses, are ideal candidates for studying the light-matter interaction in nanostructures. Here, we demonstrate the coupling of the exciton state and the cavity mode in the lead halide perovskite microcavity system at room temperature. The Purcell effect in the coupling system is clearly observed by using angle-resolved photoluminescence spectra. Kinetic analysis based on time-resolved PL reveals that the spontaneous emission rate of the halide perovskite semiconductor is significantly enhanced at resonance of the exciton energy and the cavity mode. Our results provide the way for developing electrically driven organic polariton lasers, optical devices, and on-chip coherent quantum light sources

Resonance fluorescence based two- and three-dimensional atom localization

Science.gov (United States)

Wahab, Abdul; Rahmatullah; Qamar, Sajid

2016-06-01

Two- and three-dimensional atom localization in a two-level atom-field system via resonance fluorescence is suggested. For the two-dimensional localization, the atom interacts with two orthogonal standing-wave fields, whereas for the three-dimensional atom localization, the atom interacts with three orthogonal standing-wave fields. The effect of the detuning and phase shifts associated with the corresponding standing-wave fields is investigated. A precision enhancement in position measurement of the single atom can be noticed via the control of the detuning and phase shifts.

Toward two-dimensional search engines

International Nuclear Information System (INIS)

Ermann, L; Shepelyansky, D L; Chepelianskii, A D

2012-01-01

We study the statistical properties of various directed networks using ranking of their nodes based on the dominant vectors of the Google matrix known as PageRank and CheiRank. On average PageRank orders nodes proportionally to a number of ingoing links, while CheiRank orders nodes proportionally to a number of outgoing links. In this way, the ranking of nodes becomes two dimensional which paves the way for the development of two-dimensional search engines of a new type. Statistical properties of information flow on the PageRank–CheiRank plane are analyzed for networks of British, French and Italian universities, Wikipedia, Linux Kernel, gene regulation and other networks. A special emphasis is done for British universities networks using the large database publicly available in the UK. Methods of spam links control are also analyzed. (paper)

Subjective figure reversal in two- and three-dimensional perceptual space.

Science.gov (United States)

Radilová, J; Radil-Weiss, T

1984-08-01

A permanently illuminated pattern of Mach's truncated pyramid can be perceived according to the experimental instruction given, either as a three-dimensional reversible figure with spontaneously changing convex and concave interpretation (in one experiment), or as a two-dimensional reversible figure-ground pattern (in another experiment). The reversal rate was about twice as slow, without the subjects being aware of it, if it was perceived as a three-dimensional figure compared to the situation when it was perceived as two-dimensional. It may be hypothetized that in the three-dimensional case, the process of perception requires more sequential steps than in the two-dimensional one.

Two multi-dimensional uncertainty relations

International Nuclear Information System (INIS)

Skala, L; Kapsa, V

2008-01-01

Two multi-dimensional uncertainty relations, one related to the probability density and the other one related to the probability density current, are derived and discussed. Both relations are stronger than the usual uncertainty relations for the coordinates and momentum

10 CFR 431.322 - Definitions concerning metal halide lamp ballasts and fixtures.

Science.gov (United States)

2010-01-01

... high intensity discharge fixture, the efficiency of a lamp and ballast combination, expressed as a... lamps. Metal halide lamp means a high intensity discharge lamp in which the major portion of the light... 10 Energy 3 2010-01-01 2010-01-01 false Definitions concerning metal halide lamp ballasts and...

Mechanical exfoliation of two-dimensional materials

Science.gov (United States)

Gao, Enlai; Lin, Shao-Zhen; Qin, Zhao; Buehler, Markus J.; Feng, Xi-Qiao; Xu, Zhiping

2018-06-01

Two-dimensional materials such as graphene and transition metal dichalcogenides have been identified and drawn much attention over the last few years for their unique structural and electronic properties. However, their rise begins only after these materials are successfully isolated from their layered assemblies or adhesive substrates into individual monolayers. Mechanical exfoliation and transfer are the most successful techniques to obtain high-quality single- or few-layer nanocrystals from their native multi-layer structures or their substrate for growth, which involves interfacial peeling and intralayer tearing processes that are controlled by material properties, geometry and the kinetics of exfoliation. This procedure is rationalized in this work through theoretical analysis and atomistic simulations. We propose a criterion to assess the feasibility for the exfoliation of two-dimensional sheets from an adhesive substrate without fracturing itself, and explore the effects of material and interface properties, as well as the geometrical, kinetic factors on the peeling behaviors and the torn morphology. This multi-scale approach elucidates the microscopic mechanism of the mechanical processes, offering predictive models and tools for the design of experimental procedures to obtain single- or few-layer two-dimensional materials and structures.

Complexes of alkylphenols with aluminium halides

International Nuclear Information System (INIS)

Golounin, A.V.

1997-01-01

Interaction of aluminium halides with alkylphenols is studied through the NMR method. The peculiarity of complex formation of pentamethylphenol with AlI 3 is revealed. By AlI 3 action on the pentamethylphenol the complexes are formed both of keto- and oxy form [ru

Maximizing and stabilizing luminescence from halide perovskites with potassium passivation

Science.gov (United States)

Abdi-Jalebi, Mojtaba; Andaji-Garmaroudi, Zahra; Cacovich, Stefania; Stavrakas, Camille; Philippe, Bertrand; Richter, Johannes M.; Alsari, Mejd; Booker, Edward P.; Hutter, Eline M.; Pearson, Andrew J.; Lilliu, Samuele; Savenije, Tom J.; Rensmo, Håkan; Divitini, Giorgio; Ducati, Caterina; Friend, Richard H.; Stranks, Samuel D.

2018-03-01

Metal halide perovskites are of great interest for various high-performance optoelectronic applications. The ability to tune the perovskite bandgap continuously by modifying the chemical composition opens up applications for perovskites as coloured emitters, in building-integrated photovoltaics, and as components of tandem photovoltaics to increase the power conversion efficiency. Nevertheless, performance is limited by non-radiative losses, with luminescence yields in state-of-the-art perovskite solar cells still far from 100 per cent under standard solar illumination conditions. Furthermore, in mixed halide perovskite systems designed for continuous bandgap tunability (bandgaps of approximately 1.7 to 1.9 electronvolts), photoinduced ion segregation leads to bandgap instabilities. Here we demonstrate substantial mitigation of both non-radiative losses and photoinduced ion migration in perovskite films and interfaces by decorating the surfaces and grain boundaries with passivating potassium halide layers. We demonstrate external photoluminescence quantum yields of 66 per cent, which translate to internal yields that exceed 95 per cent. The high luminescence yields are achieved while maintaining high mobilities of more than 40 square centimetres per volt per second, providing the elusive combination of both high luminescence and excellent charge transport. When interfaced with electrodes in a solar cell device stack, the external luminescence yield—a quantity that must be maximized to obtain high efficiency—remains as high as 15 per cent, indicating very clean interfaces. We also demonstrate the inhibition of transient photoinduced ion-migration processes across a wide range of mixed halide perovskite bandgaps in materials that exhibit bandgap instabilities when unpassivated. We validate these results in fully operating solar cells. Our work represents an important advance in the construction of tunable metal halide perovskite films and interfaces that can

Cation-Dependent Light-Induced Halide Demixing in Hybrid Organic-Inorganic Perovskites

OpenAIRE

Sutter-Fella, CM; Ngo, QP; Cefarin, N; Gardener, K; Tamura, N; Stan, CV; Drisdell, WS; Javey, A; Toma, FM; Sharp, ID

2018-01-01

© 2018 American Chemical Society. Mixed cation metal halide perovskites with increased power conversion efficiency, negligible hysteresis, and improved long term stability under illumination, moisture, and thermal stressing have emerged as promising compounds for photovoltaic and optoelectronic applications. Here, we shed light on photo-induced halide demixing using in-situ photoluminescence spectroscopy and in-situ synchrotron X-ray diffraction (XRD) to directly compare the evolution of comp...

Asymptotics for Two-dimensional Atoms

DEFF Research Database (Denmark)

Nam, Phan Thanh; Portmann, Fabian; Solovej, Jan Philip

2012-01-01

We prove that the ground state energy of an atom confined to two dimensions with an infinitely heavy nucleus of charge $Z>0$ and $N$ quantum electrons of charge -1 is $E(N,Z)=-{1/2}Z^2\\ln Z+(E^{\\TF}(\\lambda)+{1/2}c^{\\rm H})Z^2+o(Z^2)$ when $Z\\to \\infty$ and $N/Z\\to \\lambda$, where $E^{\\TF}(\\lambd......We prove that the ground state energy of an atom confined to two dimensions with an infinitely heavy nucleus of charge $Z>0$ and $N$ quantum electrons of charge -1 is $E(N,Z)=-{1/2}Z^2\\ln Z+(E^{\\TF}(\\lambda)+{1/2}c^{\\rm H})Z^2+o(Z^2)$ when $Z\\to \\infty$ and $N/Z\\to \\lambda$, where $E......^{\\TF}(\\lambda)$ is given by a Thomas-Fermi type variational problem and $c^{\\rm H}\\approx -2.2339$ is an explicit constant. We also show that the radius of a two-dimensional neutral atom is unbounded when $Z\\to \\infty$, which is contrary to the expected behavior of three-dimensional atoms....

Refined global methyl halide budgets with respect to rapeseed (Brassica napus) by life-cycle measurements

Science.gov (United States)

Jiao, Y.; Acdan, J.; Xu, R.; Deventer, M. J.; Rhew, R. C.

2017-12-01

A precise quantification of global methyl halide budgets is needed to evaluate the ozone depletion potential of these compounds and to predict future changes of stratospheric ozone. However, the global budgets of methyl halides are not balanced between currently identified and quantified sources and sinks. Our study re-evaluated the methyl bromide budget from global cultivated rapeseed (Brassica napus) through life-cycle flux measurements both in the greenhouse and in the field, yielding a methyl bromide emission rate that scales globally to 1.0 - 1.2 Gg yr-1. While this indicates a globally significant source, it is much smaller than the previously widely cited value of 5 - 6 Gg yr-1(Mead et al., 2008), even taking into account the near tripling of annual global yield of rapeseed since the previous evaluation was conducted. Our study also evaluated the methyl chloride and methyl iodide emission levels from rapeseed, yielding emission rates that scale to 5.4 Gg yr-1 for methyl chloride and 1.8 Gg yr-1 of methyl iodide. The concentrations of the methyl donor SAM (S-adenosyl methionine) and the resultant product SAH (S-Adenosyl-L-homocysteine) were also analyzed to explore their role in biogenic methyl halide formation. Halide gradient incubations showed that the magnitude of methyl halide emissions from rapeseed is highly correlated to soil halide levels, thus raising the concern that the heterogeneity of soil halide contents geographically should be considered when extrapolating to global budget.

Solar cells, structures including organometallic halide perovskite monocrystalline films, and methods of preparation thereof

KAUST Repository

Bakr, Osman; Peng, Wei; Wang, Lingfei

2017-01-01

Embodiments of the present disclosure provide for solar cells including an organometallic halide perovskite monocrystalline film (see fig. 1.1B), other devices including the organometallic halide perovskite monocrystalline film, methods of making

Spin dynamics in a two-dimensional quantum gas

DEFF Research Database (Denmark)

Pedersen, Poul Lindholm; Gajdacz, Miroslav; Deuretzbacher, Frank

2014-01-01

We have investigated spin dynamics in a two-dimensional quantum gas. Through spin-changing collisions, two clouds with opposite spin orientations are spontaneously created in a Bose-Einstein condensate. After ballistic expansion, both clouds acquire ring-shaped density distributions with superimp......We have investigated spin dynamics in a two-dimensional quantum gas. Through spin-changing collisions, two clouds with opposite spin orientations are spontaneously created in a Bose-Einstein condensate. After ballistic expansion, both clouds acquire ring-shaped density distributions...

Heterofacial alkylation of alkylenediamines by higher alkyl halides

International Nuclear Information System (INIS)

Semenov, V.A.; Kryshko, G.M.; Sokal'skaya, L.I.; Zhukova, N.G.

1985-01-01

A study of the physiochemical properties of alkylenediamines substituted by lower alkyls, showed that they possess increased complex-forming ability with respect to salts of different metals as titanium, niobium, zirconium, molybdenum, and zinc. To create a simpler method of synthesis of higher tetraaklyalkylalklyenediamines, based on the use of the accessible domestic raw material, the authors investigated the reaction of alkylenediamines with various alkyl halides. It was established that the best reagents can be obtained using alkyl bromides. It is concluded that the procedure of alkylation of alkylenediamines by higher alkyl halides in the presence of water developed permits the production of terraalkylalkylenediamines in one step with good yield and with purity acceptable for use as extraction reagents

Procedures for two-dimensional electrophoresis of proteins

Energy Technology Data Exchange (ETDEWEB)

Tollaksen, S.L.; Giometti, C.S.

1996-10-01

High-resolution two-dimensional gel electrophoresis (2DE) of proteins, using isoelectric focusing in the first dimension and sodium dodecyl sulfate/polyacrylamide gel electrophoresis (SDS-PAGE) in the second, was first described in 1975. In the 20 years since those publications, numerous modifications of the original method have evolved. The ISO-DALT system of 2DE is a high-throughput approach that has stood the test of time. The problem of casting many isoelectric focusing gels and SDS-PAGE slab gels (up to 20) in a reproducible manner has been solved by the use of the techniques and equipment described in this manual. The ISO-DALT system of two-dimensional gel electrophoresis originated in the late 1970s and has been modified many times to improve its high-resolution, high-throughput capabilities. This report provides the detailed procedures used with the current ISO-DALT system to prepare, run, stain, and photograph two-dimensional gels for protein analysis.

Quantum oscillations in quasi-two-dimensional conductors

CERN Document Server

Galbova, O

2002-01-01

The electronic absorption of sound waves in quasi-two-dimensional conductors in strong magnetic fields, is investigated theoretically. A longitudinal acoustic wave, propagating along the normal n-> to the layer of quasi-two-dimensional conductor (k-> = left brace 0,0,k right brace; u-> = left brace 0,0,u right brace) in magnetic field (B-> = left brace 0, 0, B right brace), is considered. The quasiclassical approach for this geometry is of no interest, due to the absence of interaction between electromagnetic and acoustic waves. The problem is of interest in strong magnetic field when quantization of the charge carriers energy levels takes place. The quantum oscillations in the sound absorption coefficient, as a function of the magnetic field, are theoretically observed. The experimental study of the quantum oscillations in quasi-two-dimensional conductors makes it possible to solve the inverse problem of determining from experimental data the extrema closed sections of the Fermi surface by a plane p sub z = ...

Third sound in one and two dimensional modulated structures

International Nuclear Information System (INIS)

Komuro, T.; Kawashima, H., Shirahama, K.; Kono, K.

1996-01-01

An experimental technique is developed to study acoustic transmission in one and two dimensional modulated structures by employing third sound of a superfluid helium film. In particular, the Penrose lattice, which is a two dimensional quasiperiodic structure, is studied. In two dimensions, the scattering of third sound is weaker than in one dimension. Nevertheless, the authors find that the transmission spectrum in the Penrose lattice, which is a two dimensional prototype of the quasicrystal, is observable if the helium film thickness is chosen around 5 atomic layers. The transmission spectra in the Penrose lattice are explained in terms of dynamical theory of diffraction

Two-dimensional membranes in motion

NARCIS (Netherlands)

Davidovikj, D.

2018-01-01

This thesis revolves around nanomechanical membranes made of suspended two - dimensional materials. Chapters 1-3 give an introduction to the field of 2D-based nanomechanical devices together with an overview of the underlying physics and the measurementtools used in subsequent chapters. The research

Excitonic and electron-hole mechanisms of the creation of Frenkel defect in alkali halides

International Nuclear Information System (INIS)

Lushchik, A.; Kirm, M.; Lushchik, Ch.; Vasil'chenko, E.

2000-01-01

Excitonic and electron-hole (e-h) mechanisms of stable F centre creation by VUV radiation in alkali halide crystals are discussed. In KCl at 4.2 K, the efficiency of stable F-H pair creation is especially high at the direct optical formation of triplet excitons with n=1. At 200-400 K, the creation processes of stable F centres in KCl are especially efficient at the formation of one-halide exciton in the Urbach tail of an exciton absorption. In KCl and KBr, the decay of a cation exciton (∼20 eV) causes the formation of two e-h pairs, while in NaCl a cation exciton (33.5 eV) decays into two e-h and an anion exciton. An elastic uniaxial stress of a crystal excited by VUV radiation decreases the mean free path of excitons before their self-trapping (KI) and increases the mean free path of hot holes before self-trapping (NaCl)

Lasing in robust cesium lead halide perovskite nanowires

Science.gov (United States)

Eaton, Samuel W.; Lai, Minliang; Gibson, Natalie A.; Wong, Andrew B.; Dou, Letian; Ma, Jie; Wang, Lin-Wang; Leone, Stephen R.; Yang, Peidong

2016-01-01

The rapidly growing field of nanoscale lasers can be advanced through the discovery of new, tunable light sources. The emission wavelength tunability demonstrated in perovskite materials is an attractive property for nanoscale lasers. Whereas organic–inorganic lead halide perovskite materials are known for their instability, cesium lead halides offer a robust alternative without sacrificing emission tunability or ease of synthesis. Here, we report the low-temperature, solution-phase growth of cesium lead halide nanowires exhibiting low-threshold lasing and high stability. The as-grown nanowires are single crystalline with well-formed facets, and act as high-quality laser cavities. The nanowires display excellent stability while stored and handled under ambient conditions over the course of weeks. Upon optical excitation, Fabry–Pérot lasing occurs in CsPbBr3 nanowires with an onset of 5 μJ cm−2 with the nanowire cavity displaying a maximum quality factor of 1,009 ± 5. Lasing under constant, pulsed excitation can be maintained for over 1 h, the equivalent of 109 excitation cycles, and lasing persists upon exposure to ambient atmosphere. Wavelength tunability in the green and blue regions of the spectrum in conjunction with excellent stability makes these nanowire lasers attractive for device fabrication. PMID:26862172

Incorrectness of conventional one-dimensional parallel thermal resistance circuit model for two-dimensional circular composite pipes

International Nuclear Information System (INIS)

Wong, K.-L.; Hsien, T.-L.; Chen, W.-L.; Yu, S.-J.

2008-01-01

This study is to prove that two-dimensional steady state heat transfer problems of composite circular pipes cannot be appropriately solved by the conventional one-dimensional parallel thermal resistance circuits (PTRC) model because its interface temperatures are not unique. Thus, the PTRC model is definitely different from its conventional recognized analogy, parallel electrical resistance circuits (PERC) model, which has unique node electric voltages. Two typical composite circular pipe examples are solved by CFD software, and the numerical results are compared with those obtained by the PTRC model. This shows that the PTRC model generates large error. Thus, this conventional model, introduced in most heat transfer text books, cannot be applied to two-dimensional composite circular pipes. On the contrary, an alternative one-dimensional separately series thermal resistance circuit (SSTRC) model is proposed and applied to a two-dimensional composite circular pipe with isothermal boundaries, and acceptable results are returned

Chiral anomaly, fermionic determinant and two dimensional models

International Nuclear Information System (INIS)

Rego Monteiro, M.A. do.

1985-01-01

The chiral anomaly in random pair dimension is analysed. This anomaly is perturbatively calculated by dimensional regularization method. A new method for non-perturbative Jacobian calculation of a general chiral transformation, 1.e., finite and non-Abelian, is developed. This method is used for non-perturbative chiral anomaly calculation, as an alternative to bosonization of two-dimensional theories for massless fermions and to study the phenomenum of fermion number fractionalization. The fermionic determinant from two-dimensional quantum chromodynamics is also studied, and calculated, exactly, as in decoupling gauge as with out reference to a particular gauge. (M.C.K.) [pt

A two-dimensional Zn coordination polymer with a three-dimensional supramolecular architecture

Directory of Open Access Journals (Sweden)

Fuhong Liu

2017-10-01

Full Text Available The title compound, poly[bis{μ2-4,4′-bis[(1,2,4-triazol-1-ylmethyl]biphenyl-κ2N4:N4′}bis(nitrato-κOzinc(II], [Zn(NO32(C18H16N62]n, is a two-dimensional zinc coordination polymer constructed from 4,4′-bis[(1H-1,2,4-triazol-1-ylmethyl]-1,1′-biphenyl units. It was synthesized and characterized by elemental analysis and single-crystal X-ray diffraction. The ZnII cation is located on an inversion centre and is coordinated by two O atoms from two symmetry-related nitrate groups and four N atoms from four symmetry-related 4,4′-bis[(1H-1,2,4-triazol-1-ylmethyl]-1,1′-biphenyl ligands, forming a distorted octahedral {ZnN4O2} coordination geometry. The linear 4,4′-bis[(1H-1,2,4-triazol-1-ylmethyl]-1,1′-biphenyl ligand links two ZnII cations, generating two-dimensional layers parallel to the crystallographic (132 plane. The parallel layers are connected by C—H...O, C—H...N, C—H...π and π–π stacking interactions, resulting in a three-dimensional supramolecular architecture.

Analogy between temperature dependent radiation effects in alkali halide crystals and crystalline ammonia

International Nuclear Information System (INIS)

Blum, A.

1977-01-01

Pikaev, Ershov, and Makarov recently reported the characteristic shape of Arrhenius-type dependence for F-centers slow part (millisecond) decay in alkali halide crystals irradiated at different temperatures. The decay rate is constant when the temperature is below the limiting value (T/sub lim/) and exhibits constant activation energy (E/sub A/) at temperatures above T/sub lim/ up to the melting point. A similar dependence has been observed for crystalline ammonia radiolysis yields (H 2 and N 2 ) in the temperature range from 77 to 195 0 K (ammonia melting point) with a limiting value of 105 0 K for N 2 and 119 0 K for H 2 . The coincidence between the alkali halide and ammonia data does not seem to be formal and there are indications showing a closer analogy between these two cases

Velocity and Dispersion for a Two-Dimensional Random Walk

International Nuclear Information System (INIS)

Li Jinghui

2009-01-01

In the paper, we consider the transport of a two-dimensional random walk. The velocity and the dispersion of this two-dimensional random walk are derived. It mainly show that: (i) by controlling the values of the transition rates, the direction of the random walk can be reversed; (ii) for some suitably selected transition rates, our two-dimensional random walk can be efficient in comparison with the one-dimensional random walk. Our work is motivated in part by the challenge to explain the unidirectional transport of motor proteins. When the motor proteins move at the turn points of their tracks (i.e., the cytoskeleton filaments and the DNA molecular tubes), some of our results in this paper can be used to deal with the problem. (general)

Thorium valency in molten alkali halides in equilibrium with metallic thorium

International Nuclear Information System (INIS)

Smirnov, M.V.; Kudyakov, V.Ya.

1983-01-01

Metallic thorium is shown to corrode in molten alkali halides even in the absence of external oxidizing agents, alkali cations acting as oxidizing agents. Its corrosion rate grows in the series of alkali chlorides from LiCl to CsCl at constant temperature. Substituting halide anions for one another exerts a smaller influence, the rate rising slightly in going from chlorides to bromides and iodides, having the same alkali cations. Thorium valency is determined coulometrically, the metal being dissolved anodically in molten alkali halides and their mixtures. In fluoride melts it is equal to 4 but in chloride, bromide and iodide ones, as a rule, it has non-integral values between 4 and 2 which diminish as the temperature is raised, as the thorium concentration is lowered, as the radii of alkali cations decrease and those of halide anions increase. The emf of cells Th/N ThHlsub(n) + (1-N) MHl/MHl/C, Hlsub(2(g)) where Hl is Cl, Br or I, M is Li, Na, K, Cs or Na + K, and N < 0.05, is measured as a function of concentration at several temperatures. Expressions are obtained for its concentration dependence. The emf grows in the series of alkali chlorides from LiCl to CsCl, other conditions being equal. (author)

Theory of the one- and two-dimensional electron gas

International Nuclear Information System (INIS)

Emery, V.J.

1987-01-01

Two topics are discussed: (1) the competition between 2k/sub F/ and 4k/sub F/ charge state waves in a one-dimensional electron gas and (2) a two-dimensional model of high T/sub c/ superconductivity in the oxides

The inaccuracy of conventional one-dimensional parallel thermal resistance circuit model for two-dimensional composite walls

International Nuclear Information System (INIS)

Wong, K.-L.; Hsien, T.-L.; Hsiao, M.-C.; Chen, W.-L.; Lin, K.-C.

2008-01-01

This investigation is to show that two-dimensional steady state heat transfer problems of composite walls should not be solved by the conventionally one-dimensional parallel thermal resistance circuits (PTRC) model because the interface temperatures are not unique. Thus PTRC model cannot be used like its conventional recognized analogy, parallel electrical resistance circuits (PERC) model which has the unique node electric voltage. Two typical composite wall examples, solved by CFD software, are used to demonstrate the incorrectness. The numerical results are compared with those obtained by PTRC model, and very large differences are observed between their results. This proves that the application of conventional heat transfer PTRC model to two-dimensional composite walls, introduced in most heat transfer text book, is totally incorrect. An alternative one-dimensional separately series thermal resistance circuit (SSTRC) model is proposed and applied to the two-dimensional composite walls with isothermal boundaries. Results with acceptable accuracy can be obtained by the new model

Liquid-liquid extraction of cadmium(II by TIOACl (tri-iso-octylammonium chloride ionic liquid and its application to a TIOACl impregnated carbon nanotubes system

Directory of Open Access Journals (Sweden)

Alguacil, Francisco J.

2015-09-01

Full Text Available The extraction of cadmium(II by the ionic liquid (R3NH+Cl- (R: tri-iso-octyl in Exxsol D100 from hydrochloric acid solution has been investigated. The extraction reaction is exothermic. The numerical analysis of metal distribution data suggests the formation of R3NH+CdCl3− and (R3NH+2CdCl42− species in the organic phase. The results obtained for cadmium(II distribution have been implemented in an impregnated multi-walled carbon nanotubes system. The influence of aqueous solution stirring speed (250–2000 min−1, adsorbent dosage (0.05–0.2 g and temperature (20 °C–60 °C on cadmium adsorption have been investigated.Se ha estudiado la extracción de cadmio(II, de disoluciones en medio HCl, por el líquido iónico (R3NH+Cl- (R: tri-iso-octyl disuelto en Exxsol D100. La reacción de extracción tiene un carácter exotérmico. El análisis numérico de la distribución del metal sugiere la formación de las especies R3NH+CdCl3− y (R3NH+2CdCl42− en la fase orgánica. Estos resultados se han implementado en un sistema que utiliza nanotubos de carbono de pared múltiple impregnados con este líquido iónico. Se han investigado diversas variables experimentales: velocidad de agitación de la disolución acuosa (250–2000 min−1, adición del adsorbente (0,05–0,2 g y temperatura (20–60 °C.

Transfer Hydro-dehalogenation of Organic Halides Catalyzed by Ruthenium(II) Complex.

Science.gov (United States)

You, Tingjie; Wang, Zhenrong; Chen, Jiajia; Xia, Yuanzhi

2017-02-03

A simple and efficient Ru(II)-catalyzed transfer hydro-dehalogenation of organic halides using 2-propanol solvent as the hydride source was reported. This methodology is applicable for hydro-dehalogenation of a variety of aromatic halides and α-haloesters and amides without additional ligand, and quantitative yields were achieved in many cases. The potential synthetic application of this method was demonstrated by efficient gram-scale transformation with catalyst loading as low as 0.5 mol %.

Two-dimensional fourier transform spectrometer

Science.gov (United States)

DeFlores, Lauren; Tokmakoff, Andrei

2013-09-03

The present invention relates to a system and methods for acquiring two-dimensional Fourier transform (2D FT) spectra. Overlap of a collinear pulse pair and probe induce a molecular response which is collected by spectral dispersion of the signal modulated probe beam. Simultaneous collection of the molecular response, pulse timing and characteristics permit real time phasing and rapid acquisition of spectra. Full spectra are acquired as a function of pulse pair timings and numerically transformed to achieve the full frequency-frequency spectrum. This method demonstrates the ability to acquire information on molecular dynamics, couplings and structure in a simple apparatus. Multi-dimensional methods can be used for diagnostic and analytical measurements in the biological, biomedical, and chemical fields.

Topological aspect of disclinations in two-dimensional crystals

International Nuclear Information System (INIS)

Wei-Kai, Qi; Tao, Zhu; Yong, Chen; Ji-Rong, Ren

2009-01-01

By using topological current theory, this paper studies the inner topological structure of disclinations during the melting of two-dimensional systems. From two-dimensional elasticity theory, it finds that there are topological currents for topological defects in homogeneous equation. The evolution of disclinations is studied, and the branch conditions for generating, annihilating, crossing, splitting and merging of disclinations are given. (the physics of elementary particles and fields)

Two-dimensional ranking of Wikipedia articles

Science.gov (United States)

Zhirov, A. O.; Zhirov, O. V.; Shepelyansky, D. L.

2010-10-01

The Library of Babel, described by Jorge Luis Borges, stores an enormous amount of information. The Library exists ab aeterno. Wikipedia, a free online encyclopaedia, becomes a modern analogue of such a Library. Information retrieval and ranking of Wikipedia articles become the challenge of modern society. While PageRank highlights very well known nodes with many ingoing links, CheiRank highlights very communicative nodes with many outgoing links. In this way the ranking becomes two-dimensional. Using CheiRank and PageRank we analyze the properties of two-dimensional ranking of all Wikipedia English articles and show that it gives their reliable classification with rich and nontrivial features. Detailed studies are done for countries, universities, personalities, physicists, chess players, Dow-Jones companies and other categories.

Finding two-dimensional peaks

International Nuclear Information System (INIS)

Silagadze, Z.K.

2007-01-01

Two-dimensional generalization of the original peak finding algorithm suggested earlier is given. The ideology of the algorithm emerged from the well-known quantum mechanical tunneling property which enables small bodies to penetrate through narrow potential barriers. We merge this 'quantum' ideology with the philosophy of Particle Swarm Optimization to get the global optimization algorithm which can be called Quantum Swarm Optimization. The functionality of the newborn algorithm is tested on some benchmark optimization problems

Efficient Photon Recycling and Radiation Trapping in Cesium Lead Halide Perovskite Waveguides

KAUST Repository

Dursun, Ibrahim

2018-05-26

Cesium lead halide perovskite materials have attracted considerable attention for potential applications in lasers, light emitting diodes and photodetectors. Here, we provide the experimental and theoretical evidence for photon recycling in CsPbBr3 perovskite microwires. Using two-photon excitation, we recorded photoluminescence (PL) lifetimes and emission spectra as a function of the lateral distance between PL excitation and collection positions along the microwire, with separations exceeding 100 µm. At longer separations, the PL spectrum develops a red-shifted emission peak accompanied by an appearance of well-resolved rise times in the PL kinetics. We developed quantitative modeling that accounts for bimolecular recombination and photon recycling within the microwire waveguide and is sufficient to account for the observed decay modifications. It relies on a high radiative efficiency in CsPbBr3 perovskite microwires and provides crucial information about the potential impact of photon recycling and waveguide trapping on optoelectronic properties of cesium lead halide perovskite materials.

Ligand-Stabilized Reduced-Dimensionality Perovskites

KAUST Repository

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.

2016-01-01

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; and these drive an increased formation energy and should therefore improve material stability. Here we report the 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 achieved 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.

Ligand-Stabilized Reduced-Dimensionality Perovskites

KAUST Repository

Quan, Li Na

2016-02-03

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; and these drive an increased formation energy and should therefore improve material stability. Here we report the 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 achieved 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.

Quantum Communication Through a Two-Dimensional Spin Network

International Nuclear Information System (INIS)

Wang Zhaoming; Gu Yongjian

2012-01-01

We investigate the state or entanglement transfer through a two-dimensional spin network. We show that for state transfer, better fidelity can be gained along the diagonal direction but for entanglement transfer, when the initial entanglement is created along the boundary, the concurrence is more inclined to propagate along the boundary. This behavior is produced by quantum mechanical interference and the communication quality depends on the precise size of the network. For some number of sites, the fidelity in a two-dimensional channel is higher than one-dimensional case. This is an important result for realizing quantum communication through high dimension spin chain networks.

Two-dimensional wave propagation in layered periodic media

KAUST Repository

Quezada de Luna, Manuel

2014-09-16

We study two-dimensional wave propagation in materials whose properties vary periodically in one direction only. High order homogenization is carried out to derive a dispersive effective medium approximation. One-dimensional materials with constant impedance exhibit no effective dispersion. We show that a new kind of effective dispersion may arise in two dimensions, even in materials with constant impedance. This dispersion is a macroscopic effect of microscopic diffraction caused by spatial variation in the sound speed. We analyze this dispersive effect by using highorder homogenization to derive an anisotropic, dispersive effective medium. We generalize to two dimensions a homogenization approach that has been used previously for one-dimensional problems. Pseudospectral solutions of the effective medium equations agree to high accuracy with finite volume direct numerical simulations of the variable-coeffi cient equations.

Lorentz covariant tempered distributions in two-dimensional space-time

International Nuclear Information System (INIS)

Zinov'ev, Yu.M.

1989-01-01

The problem of describing Lorentz covariant distributions without any spectral condition has hitherto remained unsolved even for two-dimensional space-time. Attempts to solve this problem have already been made. Zharinov obtained an integral representation for the Laplace transform of Lorentz invariant distributions with support in the product of two-dimensional future light cones. However, this integral representation does not make it possible to obtain a complete description of the corresponding Lorentz invariant distributions. In this paper the author gives a complete description of Lorentz covariant distributions for two-dimensional space-time. No spectral conditions is assumed

Environmental Effects on the Photophysics of Organic-Inorganic Halide Perovskites.

Science.gov (United States)

Galisteo-López, Juan F; Anaya, M; Calvo, M E; Míguez, H

2015-06-18

The photophysical properties of films of organic-inorganic lead halide perovskites under different ambient conditions are herein reported. We demonstrate that their luminescent properties are determined by the interplay between photoinduced activation and darkening processes, which strongly depend on the atmosphere surrounding the samples. We have isolated oxygen and moisture as the key elements in each process, activation and darkening, both of which involve the interaction with photogenerated carriers. These findings show that environmental factors play a key role in the performance of lead halide perovskites as efficient luminescent materials.

Solution-Based Processing and Applications of Two-Dimensional Heterostructures

Science.gov (United States)

Hersam, Mark

Two-dimensional materials have emerged as promising candidates for next-generation electronics and optoelectronics, but advances in scalable nanomanufacturing are required to exploit this potential in real-world technology. This talk will explore methods for improving the uniformity of solution-processed two-dimensional materials with an eye toward realizing dispersions and inks that can be deposited into large-area thin-films. In particular, density gradient ultracentrifugation allows the solution-based isolation of graphene, boron nitride, montmorillonite, and transition metal dichalcogenides (e.g., MoS2, WS2, ReS2, MoSe2, WSe2) with homogeneous thickness down to the atomically thin limit. Similarly, two-dimensional black phosphorus is isolated in organic solvents or deoxygenated aqueous surfactant solutions with the resulting phosphorene nanosheets showing field-effect transistor mobilities and on/off ratios that are comparable to micromechanically exfoliated flakes. By adding cellulosic polymer stabilizers to these dispersions, the rheological properties can be tuned by orders of magnitude, thereby enabling two-dimensional material inks that are compatible with a range of additive manufacturing methods including inkjet, gravure, screen, and 3D printing. The resulting solution-processed two-dimensional heterostructures show promise in several device applications including photodiodes, anti-ambipolar transistors, gate-tunable memristors, and heterojunction photovoltaics.

Advancement on Lead-Free Organic-Inorganic Halide Perovskite Solar Cells: A Review.

Science.gov (United States)

Sani, Faruk; Shafie, Suhaidi; Lim, Hong Ngee; Musa, Abubakar Ohinoyi

2018-06-14

Remarkable attention has been committed to the recently discovered cost effective and solution processable lead-free organic-inorganic halide perovskite solar cells. Recent studies have reported that, within five years, the reported efficiency has reached 9.0%, which makes them an extremely promising and fast developing candidate to compete with conventional lead-based perovskite solar cells. The major challenge associated with the conventional perovskite solar cells is the toxic nature of lead (Pb) used in the active layer of perovskite material. If lead continues to be used in fabricating solar cells, negative health impacts will result in the environment due to the toxicity of lead. Alternatively, lead free perovskite solar cells could give a safe way by substituting low-cost, abundant and non toxic material. This review focuses on formability of lead-free organic-inorganic halide perovskite, alternative metal cations candidates to replace lead (Pb), and possible substitutions of organic cations, as well as halide anions in the lead-free organic-inorganic halide perovskite architecture. Furthermore, the review gives highlights on the impact of organic cations, metal cations and inorganic anions on stability and the overall performance of lead free perovskite solar cells.

Metal induced gap states at alkali halide/metal interface

International Nuclear Information System (INIS)

Kiguchi, Manabu; Yoshikawa, Genki; Ikeda, Susumu; Saiki, Koichiro

2004-01-01

The electronic state of a KCl/Cu(0 0 1) interface was investigated using the Cl K-edge near-edge X-ray absorption fine structure (NEXAFS). A pre-peak observed on the bulk edge onset of thin KCl films has a similar feature to the peak at a LiCl/Cu(0 0 1) interface, which originates from the metal induced gap state (MIGS). The present result indicates that the MIGS is formed universally at alkali halide/metal interfaces. The decay length of MIGS to an insulator differs from each other, mainly due to the difference in the band gap energy of alkali halide

Inter-layer Cooper pairing of two-dimensional electrons

International Nuclear Information System (INIS)

Inoue, Masahiro; Takemori, Tadashi; Yoshizaki, Ryozo; Sakudo, Tunetaro; Ohtaka, Kazuo

1987-01-01

The authors point out the possibility that the high transition temperatures of the recently discovered oxide superconductors are dominantly caused by the inter-layer Cooper pairing of two-dimensional electrons that are coupled through the exchange of three-dimensional phonons. (author)

Optimal Padding for the Two-Dimensional Fast Fourier Transform

Science.gov (United States)

Dean, Bruce H.; Aronstein, David L.; Smith, Jeffrey S.

2011-01-01

One-dimensional Fast Fourier Transform (FFT) operations work fastest on grids whose size is divisible by a power of two. Because of this, padding grids (that are not already sized to a power of two) so that their size is the next highest power of two can speed up operations. While this works well for one-dimensional grids, it does not work well for two-dimensional grids. For a two-dimensional grid, there are certain pad sizes that work better than others. Therefore, the need exists to generalize a strategy for determining optimal pad sizes. There are three steps in the FFT algorithm. The first is to perform a one-dimensional transform on each row in the grid. The second step is to transpose the resulting matrix. The third step is to perform a one-dimensional transform on each row in the resulting grid. Steps one and three both benefit from padding the row to the next highest power of two, but the second step needs a novel approach. An algorithm was developed that struck a balance between optimizing the grid pad size with prime factors that are small (which are optimal for one-dimensional operations), and with prime factors that are large (which are optimal for two-dimensional operations). This algorithm optimizes based on average run times, and is not fine-tuned for any specific application. It increases the amount of times that processor-requested data is found in the set-associative processor cache. Cache retrievals are 4-10 times faster than conventional memory retrievals. The tested implementation of the algorithm resulted in faster execution times on all platforms tested, but with varying sized grids. This is because various computer architectures process commands differently. The test grid was 512 512. Using a 540 540 grid on a Pentium V processor, the code ran 30 percent faster. On a PowerPC, a 256x256 grid worked best. A Core2Duo computer preferred either a 1040x1040 (15 percent faster) or a 1008x1008 (30 percent faster) grid. There are many industries that

Metal halides vapor lasers with inner reactor and small active volume.

Science.gov (United States)

Shiyanov, D. V.; Sukhanov, V. B.; Evtushenko, G. S.

2018-04-01

Investigation of the energy characteristics of copper, manganese, lead halide vapor lasers with inner reactor and small active volume 90 cm3 was made. The optimal operating pulse repetition rates, temperatures, and buffer gas pressure for gas discharge tubes with internal and external electrodes are determined. Under identical pump conditions, such systems are not inferior in their characteristics to standard metal halide vapor lasers. It is shown that the use of a zeolite halogen generator provides lifetime laser operation.

Monocrystalline halide perovskite nanostructures for optoelectronic applications

NARCIS (Netherlands)

Khoram, P.

2018-01-01

Halide perovskites are a promising class of materials for incorporation in optoelectronics with higher efficiency and lower cost. The solution processability of these materials provides unique opportunities for simple nanostructure fabrication. In the first half of the thesis (chapter 2 and 3) we

Surface representations of two- and three-dimensional fluid flow topology

Science.gov (United States)

Helman, James L.; Hesselink, Lambertus

1990-01-01

We discuss our work using critical point analysis to generate representations of the vector field topology of numerical flow data sets. Critical points are located and characterized in a two-dimensional domain, which may be either a two-dimensional flow field or the tangential velocity field near a three-dimensional body. Tangent curves are then integrated out along the principal directions of certain classes of critical points. The points and curves are linked to form a skeleton representing the two-dimensional vector field topology. When generated from the tangential velocity field near a body in a three-dimensional flow, the skeleton includes the critical points and curves which provide a basis for analyzing the three-dimensional structure of the flow separation. The points along the separation curves in the skeleton are used to start tangent curve integrations to generate surfaces representing the topology of the associated flow separations.

Reactivity of halide and pseudohalide ligands

International Nuclear Information System (INIS)

Kukushkin, Yu.N.

1987-01-01

Reactivity of halide and pseudohalide (cyanide, azide, thiocyanate, cyanate) ligands tending to form bridge bonds in transition metal (Re, Mo, W) complexes is considered. Complexes where transition metal salts are ligands of other, complex-forming ion, are described. Transformation of innerspheric pseudohalide ligands is an important way of directed synthesis of these metal coordination compounds

Vibrational Spectra of Discrete UO22+ Halide Complexes in the Gas Phase

International Nuclear Information System (INIS)

Groenewold, G.S.; Van Stipdonk, Michael J.; Oomens, Jos; De Jong, Wibe A.; Gresham, Garold L.; Mcilwain, Michael

2010-01-01

The intrinsic binding of halide ions to the metal center in the uranyl molecule is a topic of ongoing research interest in both the actinide separations and theoretical communities. Investigations of structure in the condensed phases is frequently obfuscated by solvent interactions that can alter ligand binding and spectroscopic properties. The approach taken in this study is to move the uranyl halide complexes into the gas phase where they are free from solvent interactions, and then interrogate their vibrational spectroscopy using infrared multiple photon dissociation (IRMPD). The spectra of cationic coordination complexes having the composition (UO 2 (X)(ACO) 3 ) + (where X = F, Cl, Br and I; ACO = acetone) were acquired using electrospray for ion formation, and monitoring the ion signal from the photoelimination of ACO ligands. The studies showed that the asymmetric ν 3 UO 2 frequency was insensitive to halide identity as X was varied from Cl to I, suggesting that in these pseudo-octahedral complexes, changing the nucleophilicity of the halide did not appreciably alter its binding in the complex. The ν 3 peak in the spectrum of the F-containing complex was 9 cm -1 lower indicating stronger coordination in this complex. Similarly the ACO carbonyl stretches showed that the C=O frequency was relatively insensitive to the identity of the halide, although a modest shift to higher wavenumber was seen for the complexes with the more nucleophilic anions, consistent with the idea that they loosen solvent binding. Surprisingly, the ν 1 stretch was activated when the softer anions Cl, Br and I were present in the complexes. IR studies of the anionic complexes (UO 2 X 3 ) - (where X = Cl - , Br - and I - ) compared the ν 3 UO 2 modes versus halide, and showed that the ν 3 values decreased with increasing anion nucleophilicity. This observation was consistent with DFT calculations that indicated that (UO 2 X 2 ) - -X, and (UO 2 X 2 )·-X - dissociation energies

Quasi-integrability and two-dimensional QCD

International Nuclear Information System (INIS)

Abdalla, E.; Mohayaee, R.

1996-10-01

The notion of integrability in two-dimensional QCD is discussed. We show that in spite of an infinite number of conserved charges, particle production is not entirely suppressed. This phenomenon, which we call quasi-integrability, is explained in terms of quantum corrections to the combined algebra of higher-conserved and spectrum-generating currents. We predict the qualitative form of particle production probabilities and verify that they are in agreement with numerical data. We also discuss four-dimensional self-dual Yang-Mills theory in the light of our results. (author). 25 refs, 4 figs, 1 tab

Two-dimensional QCD in the Coulomb gauge

International Nuclear Information System (INIS)

Kalashnikova, Yu.S.; Nefed'ev, A.V.

2002-01-01

Various aspects of the 't Hooft model for two-dimensional QCD in the limit of infinite number of colours in the Coulomb gauge are discussed. The properties of mesonic excitations are studied, with special emphasis on the pion. Attention is paid to the dual role of the pion. which, while a genuine qq-bar state, is a Goldstone boson of two-dimensional QCD as well. In particular, the validity of the soft-pion theorems is demonstrated. It is shown that the Coulomb gauge is the most suitable choice for the study of hadronic observables involving pions [ru

Electrochemically reduced titanocene dichloride as a catalyst of reductive dehalogenation of organic halides

International Nuclear Information System (INIS)

Magdesieva, Tatiana V.; Graczyk, Magdalena; Vallat, Alain; Nikitin, Oleg M.; Demyanov, Petr I.; Butin, Kim P.; Vorotyntsev, Mikhail A.

2006-01-01

We have studied a reaction between the reduced form of titanocene dichloride (Cp 2 TiCl 2 ) and a group of organic halides: benzyl derivatives (4-X-C 6 H 4 CH 2 Cl, X = H, NO 2 , CH 3 ; 4-X-C 6 H 4 CH 2 Br, X = H, NO 2 , PhC(O); 4-X-C 6 H 4 CH 2 SCN, X = H, NO 2 ) as well as three aryl halides (4-NO 2 C 6 H 4 Hal, Hal = Cl, Br; 4-CH 3 O-C 6 H 4 Cl). It has been shown that the electrochemical reduction of Cp 2 TiCl 2 in the presence of these benzyl halides leads to a catalytic cycle resulting in the reductive dehalogenation of these organic substrates to yield mostly corresponding toluene derivatives as the main product. No dehalogenation has been observed for aryl derivatives. Based on electrochemical data and digital simulation, possible schemes of the catalytic process have been outlined. For non-substituted benzyl halides halogen atom abstraction is a key step. For the reaction of nitrobenzyl halides the complexation of Ti(III) species with the nitro group takes place, with the electron transfer from Ti(III) to this group (owing to its highest coefficient in LUMO of the nitro benzyl halide) followed by an intramolecular dissociative electron redistribution in the course of the heterolytic C-Hal bond cleavage. The results for reduced titanocene dichloride centers immobilized inside a polymer film showed that the catalytic reductive dehalogenation of the p-nitrobenzyl chloride does occur but with a low efficiency because of the partial deactivation of the film due to the blocking of the electron charge transport between the electrode and catalytic centers

Electrochemically reduced titanocene dichloride as a catalyst of reductive dehalogenation of organic halides

Energy Technology Data Exchange (ETDEWEB)

Magdesieva, Tatiana V. [Department Chemistry, M.V. Lomonosov Moscow State University, Moscow 119992 (Russian Federation)]. E-mail: tvm@org.chem.msu.ru; Graczyk, Magdalena [LSEO-UMR 5188 CNRS, Universite de Bourgogne, Dijon (France); Vallat, Alain [LSEO-UMR 5188 CNRS, Universite de Bourgogne, Dijon (France); Nikitin, Oleg M. [Department Chemistry, M.V. Lomonosov Moscow State University, Moscow 119992 (Russian Federation); Demyanov, Petr I. [Department Chemistry, M.V. Lomonosov Moscow State University, Moscow 119992 (Russian Federation); Butin, Kim P. [Department Chemistry, M.V. Lomonosov Moscow State University, Moscow 119992 (Russian Federation); Vorotyntsev, Mikhail A. [LSEO-UMR 5188 CNRS, Universite de Bourgogne, Dijon (France)]. E-mail: MV@u-bourgogne.fr

2006-11-12

We have studied a reaction between the reduced form of titanocene dichloride (Cp{sub 2}TiCl{sub 2}) and a group of organic halides: benzyl derivatives (4-X-C{sub 6}H{sub 4}CH{sub 2}Cl, X = H, NO{sub 2}, CH{sub 3}; 4-X-C{sub 6}H{sub 4}CH{sub 2}Br, X = H, NO{sub 2}, PhC(O); 4-X-C{sub 6}H{sub 4}CH{sub 2}SCN, X = H, NO{sub 2}) as well as three aryl halides (4-NO{sub 2}C{sub 6}H{sub 4}Hal, Hal = Cl, Br; 4-CH{sub 3}O-C{sub 6}H{sub 4}Cl). It has been shown that the electrochemical reduction of Cp{sub 2}TiCl{sub 2} in the presence of these benzyl halides leads to a catalytic cycle resulting in the reductive dehalogenation of these organic substrates to yield mostly corresponding toluene derivatives as the main product. No dehalogenation has been observed for aryl derivatives. Based on electrochemical data and digital simulation, possible schemes of the catalytic process have been outlined. For non-substituted benzyl halides halogen atom abstraction is a key step. For the reaction of nitrobenzyl halides the complexation of Ti(III) species with the nitro group takes place, with the electron transfer from Ti(III) to this group (owing to its highest coefficient in LUMO of the nitro benzyl halide) followed by an intramolecular dissociative electron redistribution in the course of the heterolytic C-Hal bond cleavage. The results for reduced titanocene dichloride centers immobilized inside a polymer film showed that the catalytic reductive dehalogenation of the p-nitrobenzyl chloride does occur but with a low efficiency because of the partial deactivation of the film due to the blocking of the electron charge transport between the electrode and catalytic centers.

Sensitivity analysis explains quasi-one-dimensional current transport in two-dimensional materials

DEFF Research Database (Denmark)

Boll, Mads; Lotz, Mikkel Rønne; Hansen, Ole

2014-01-01

We demonstrate that the quasi-one-dimensional (1D) current transport, experimentally observed in graphene as measured by a collinear four-point probe in two electrode configurations A and B, can be interpreted using the sensitivity functions of the two electrode configurations (configurations...... A and B represents different pairs of electrodes chosen for current sources and potential measurements). The measured sheet resistance in a four-point probe measurement is averaged over an area determined by the sensitivity function. For a two-dimensional conductor, the sensitivity functions for electrode...... configurations A and B are different. But when the current is forced to flow through a percolation network, e.g., graphene with high density of extended defects, the two sensitivity functions become identical. This is equivalent to a four-point measurement on a line resistor, hence quasi-1D transport...

F-center and self-trapped exciton formation in strongly excited alkali halide crystals

International Nuclear Information System (INIS)

Kravchenko, V.A.; Yakovlev, V.Yu.

1988-01-01

Method of luminescent and absorption spectroscopy with time resolution was used to study the effect of density of electron pulse excitation (t p =10 -8 s, P=(10 5 -10 8 ) WXcm -2 ) on efficiency of η ε two-halide autolocalized exciton (TALE) and F-centers (η F ) formation in CsI, CsBr, KBr, KI alkali halide crystals. It was established that for all studied systems the elevation of P power of electron beam (EB) from 10 5 up to 5X10 7 WXcm -2 resulted to sufficient decrease of production efficiency and yield of TALE luminescence. In the case when F-centers of colour are induced predominantly by pulsed irradiation in crystals, F-center yield is independent of P. If F-centers and TALE are produced in comparable amounts (CsBr crystals, T=80 K), η ε decrease with P growth is accompanied by η F growth

A Simple Halide-to-Anion Exchange Method for Heteroaromatic Salts and Ionic Liquids

Directory of Open Access Journals (Sweden)

Neus Mesquida

2012-04-01

Full Text Available A broad and simple method permitted halide ions in quaternary heteroaromatic and ammonium salts to be exchanged for a variety of anions using an anion exchange resin (A− form in non-aqueous media. The anion loading of the AER (OH− form was examined using two different anion sources, acids or ammonium salts, and changing the polarity of the solvents. The AER (A− form method in organic solvents was then applied to several quaternary heteroaromatic salts and ILs, and the anion exchange proceeded in excellent to quantitative yields, concomitantly removing halide impurities. Relying on the hydrophobicity of the targeted ion pair for the counteranion swap, organic solvents with variable polarity were used, such as CH3OH, CH3CN and the dipolar nonhydroxylic solvent mixture CH3CN:CH2Cl2 (3:7 and the anion exchange was equally successful with both lipophilic cations and anions.

Noise-induced drift in two-dimensional anisotropic systems

Science.gov (United States)

Farago, Oded

2017-10-01

We study the isothermal Brownian dynamics of a particle in a system with spatially varying diffusivity. Due to the heterogeneity of the system, the particle's mean displacement does not vanish even if it does not experience any physical force. This phenomenon has been termed "noise-induced drift," and has been extensively studied for one-dimensional systems. Here, we examine the noise-induced drift in a two-dimensional anisotropic system, characterized by a symmetric diffusion tensor with unequal diagonal elements. A general expression for the mean displacement vector is derived and presented as a sum of two vectors, depicting two distinct drifting effects. The first vector describes the tendency of the particle to drift toward the high diffusivity side in each orthogonal principal diffusion direction. This is a generalization of the well-known expression for the noise-induced drift in one-dimensional systems. The second vector represents a novel drifting effect, not found in one-dimensional systems, originating from the spatial rotation in the directions of the principal axes. The validity of the derived expressions is verified by using Langevin dynamics simulations. As a specific example, we consider the relative diffusion of two transmembrane proteins, and demonstrate that the average distance between them increases at a surprisingly fast rate of several tens of micrometers per second.

Three-dimensional echocardiography of normal and pathologic mitral valve: a comparison with two-dimensional transesophageal echocardiography

NARCIS (Netherlands)

Salustri, A.; Becker, A. E.; van Herwerden, L.; Vletter, W. B.; ten Cate, F. J.; Roelandt, J. R.

1996-01-01

This study was done to ascertain whether three-dimensional echocardiography can facilitate the diagnosis of mitral valve abnormalities. The value of the additional information provided by three-dimensional echocardiography compared with two-dimensional multiplane transesophageal echocardiography for

Two-Dimensional Motions of Rockets

Science.gov (United States)

Kang, Yoonhwan; Bae, Saebyok

2007-01-01

We analyse the two-dimensional motions of the rockets for various types of rocket thrusts, the air friction and the gravitation by using a suitable representation of the rocket equation and the numerical calculation. The slope shapes of the rocket trajectories are discussed for the three types of rocket engines. Unlike the projectile motions, the…

Two-Dimensional Theory of Scientific Representation

Directory of Open Access Journals (Sweden)

A Yaghmaie

2013-03-01

Full Text Available Scientific representation is an interesting topic for philosophers of science, many of whom have recently explored it from different points of view. There are currently two competing approaches to the issue: cognitive and non-cognitive, and each of them claims its own merits over the other. This article tries to provide a hybrid theory of scientific representation, called Two-Dimensional Theory of Scientific Representation, which has the merits of the two accounts and is free of their shortcomings. To do this, we will argue that although scientific representation needs to use the notion of intentionality, such a notion is defined and realized in a simply structural form contrary to what cognitive approach says about intentionality. After a short introduction, the second part of the paper is devoted to introducing theories of scientific representation briefly. In the third part, the structural accounts of representation will be criticized. The next step is to introduce the two-dimensional theory which involves two key components: fixing and structural fitness. It will be argued that fitness is an objective and non-intentional relation, while fixing is intentional.

Two-dimensional Simulations of Correlation Reflectometry in Fusion Plasmas

International Nuclear Information System (INIS)

Valeo, E.J.; Kramer, G.J.; Nazikian, R.

2001-01-01

A two-dimensional wave propagation code, developed specifically to simulate correlation reflectometry in large-scale fusion plasmas is described. The code makes use of separate computational methods in the vacuum, underdense and reflection regions of the plasma in order to obtain the high computational efficiency necessary for correlation analysis. Simulations of Tokamak Fusion Test Reactor (TFTR) plasma with internal transport barriers are presented and compared with one-dimensional full-wave simulations. It is shown that the two-dimensional simulations are remarkably similar to the results of the one-dimensional full-wave analysis for a wide range of turbulent correlation lengths. Implications for the interpretation of correlation reflectometer measurements in fusion plasma are discussed

Volume scanning three-dimensional display with an inclined two-dimensional display and a mirror scanner

Science.gov (United States)

Miyazaki, Daisuke; Kawanishi, Tsuyoshi; Nishimura, Yasuhiro; Matsushita, Kenji

2001-11-01

A new three-dimensional display system based on a volume-scanning method is demonstrated. To form a three-dimensional real image, an inclined two-dimensional image is rapidly moved with a mirror scanner while the cross-section patterns of a three-dimensional object are displayed sequentially. A vector-scan CRT display unit is used to obtain a high-resolution image. An optical scanning system is constructed with concave mirrors and a galvanometer mirror. It is confirmed that three-dimensional images, formed by the experimental system, satisfy all the criteria for human stereoscopic vision.

Formation of random and regular relief-phase structures on silver halide photographic emulsions by holographic methods

Science.gov (United States)

Ganzherli, N. M.; Gulyaev, S. N.; Gurin, A. S.; Kramushchenko, D. D.; Maurer, I. A.; Chernykh, D. F.

2009-07-01

The formation of diffusers and microlens rasters on silver halide emulsions by holographic methods is considered. Two techniques for converting amplitude holographic recording to relief-phase recording, selective curing and irradiation of the emulsion gelatin by short-wavelength UV radiation, are compared.

Three-dimensional tokamak equilibria and stellarators with two-dimensional magnetic symmetry

International Nuclear Information System (INIS)

Garabedian, P.R.

1997-01-01

Three-dimensional computer codes have been developed to simulate equilibrium, stability and transport in tokamaks and stellarators. Bifurcated solutions of the tokamak problem suggest that three-dimensional effects may be more important than has generally been thought. Extensive calculations have led to the discovery of a stellarator configuration with just two field periods and with aspect ratio 3.2 that has a magnetic field spectrum B mn with toroidal symmetry. Numerical studies of equilibrium, stability and transport for this new device, called the Modular Helias-like Heliac 2 (MHH2), will be presented. (author)

A two-stage preventive maintenance optimization model incorporating two-dimensional extended warranty

International Nuclear Information System (INIS)

Su, Chun; Wang, Xiaolin

2016-01-01

In practice, customers can decide whether to buy an extended warranty or not, at the time of item sale or at the end of the basic warranty. In this paper, by taking into account the moments of customers purchasing two-dimensional extended warranty, the optimization of imperfect preventive maintenance for repairable items is investigated from the manufacturer's perspective. A two-dimensional preventive maintenance strategy is proposed, under which the item is preventively maintained according to a specified age interval or usage interval, whichever occurs first. It is highlighted that when the extended warranty is purchased upon the expiration of the basic warranty, the manufacturer faces a two-stage preventive maintenance optimization problem. Moreover, in the second stage, the possibility of reducing the servicing cost over the extended warranty period is explored by classifying customers on the basis of their usage rates and then providing them with customized preventive maintenance programs. Numerical examples show that offering customized preventive maintenance programs can reduce the manufacturer's warranty cost, while a larger saving in warranty cost comes from encouraging customers to buy the extended warranty at the time of item sale. - Highlights: • A two-dimensional PM strategy is investigated. • Imperfect PM strategy is optimized by considering both two-dimensional BW and EW. • Customers are categorized based on their usage rates throughout the BW period. • Servicing cost of the EW is reduced by offering customized PM programs. • Customers buying the EW at the time of sale is preferred for the manufacturer.

Vibrations of thin piezoelectric shallow shells: Two-dimensional ...

Indian Academy of Sciences (India)

R. Narasimhan (Krishtel eMaging) 1461 1996 Oct 15 13:05:22

In this paper we consider the eigenvalue problem for piezoelectric shallow shells and we show that, as the thickness of the shell goes to zero, the eigensolutions of the three-dimensional piezoelectric shells converge to the eigensolutions of a two- dimensional eigenvalue problem. Keywords. Vibrations; piezoelectricity ...

Two-dimensional turbulent flows on a bounded domain

NARCIS (Netherlands)

Kramer, W.

2006-01-01

Large-scale flows in the oceans and the atmosphere reveal strong similarities with purely two-dimensional flows. One of the most typical features is the cascade of energy from smaller flow scales towards larger scales. This is opposed to three-dimensional turbulence where larger flow structures

Intrinsic two-dimensional states on the pristine surface of tellurium

Science.gov (United States)

Li, Pengke; Appelbaum, Ian

2018-05-01

Atomic chains configured in a helical geometry have fascinating properties, including phases hosting localized bound states in their electronic structure. We show how the zero-dimensional state—bound to the edge of a single one-dimensional helical chain of tellurium atoms—evolves into two-dimensional bands on the c -axis surface of the three-dimensional trigonal bulk. We give an effective Hamiltonian description of its dispersion in k space by exploiting confinement to a virtual bilayer, and elaborate on the diminished role of spin-orbit coupling. These intrinsic gap-penetrating surface bands were neglected in the interpretation of seminal experiments, where two-dimensional transport was otherwise attributed to extrinsic accumulation layers.

Iterative Two- and One-Dimensional Methods for Three-Dimensional Neutron Diffusion Calculations

International Nuclear Information System (INIS)

Lee, Hyun Chul; Lee, Deokjung; Downar, Thomas J.

2005-01-01

Two methods are proposed for solving the three-dimensional neutron diffusion equation by iterating between solutions of the two-dimensional (2-D) radial and one-dimensional (1-D) axial solutions. In the first method, the 2-D/1-D equations are coupled using a current correction factor (CCF) with the average fluxes of the lower and upper planes and the axial net currents at the plane interfaces. In the second method, an analytic expression for the axial net currents at the interface of the planes is used for planar coupling. A comparison of the new methods is made with two previously proposed methods, which use interface net currents and partial currents for planar coupling. A Fourier convergence analysis of the four methods was performed, and results indicate that the two new methods have at least three advantages over the previous methods. First, the new methods are unconditionally stable, whereas the net current method diverges for small axial mesh size. Second, the new methods provide better convergence performance than the other methods in the range of practical mesh sizes. Third, the spectral radii of the new methods asymptotically approach zero as the mesh size increases, while the spectral radius of the partial current method approaches a nonzero value as the mesh size increases. Of the two new methods proposed here, the analytic method provides a smaller spectral radius than the CCF method, but the CCF method has several advantages over the analytic method in practical applications

Local coordination of polyvalent metal ions in molten halide mixtures

International Nuclear Information System (INIS)

Akdeniz, Z.; Tosi, M.P.

1989-07-01

Ample experimental evidence is available in the literature on the geometry and the stability of local coordination for polyvalent metal ions in molten mixtures of their halides with alkali halides. Recent schemes for classifying this evidence are discussed. Dissociation of tetrahedral halocomplexes in good ionic systems can be viewed as a classical Mott problem of bound-state stability in a conducting matrix. More generally, structural coordinates can be constructed from properties of the component elements, to separate out systems with long-lived fourfold or sixfold coordination and to distinguish between these. (author). 11 refs, 1 fig

Thallous and cesium halide materials for use in cryogenic applications

International Nuclear Information System (INIS)

Lawless, W.N.

1983-01-01

Certain thallous and cesium halides, either used alone or in combination with other ceramic materials, are provided in cryogenic applications such as heat exchange material for the regenerator section of a closed-cycle cryogenic refrigeration section, as stabilizing coatings for superconducting wires, and as dielectric insulating materials. The thallous and cesium halides possess unusually large specific heats at low temperatures, have large thermal conductivities, are nonmagnetic, and are nonconductors of electricity. They can be formed into a variety of shapes such as spheres, bars, rods, or the like and can be coated or extruded onto substrates or wires. (author)

Development and melt growth of novel scintillating halide crystals

Science.gov (United States)

Yoshikawa, Akira; Yokota, Yuui; Shoji, Yasuhiro; Kral, Robert; Kamada, Kei; Kurosawa, Shunsuke; Ohashi, Yuji; Arakawa, Mototaka; Chani, Valery I.; Kochurikhin, Vladimir V.; Yamaji, Akihiro; Andrey, Medvedev; Nikl, Martin

2017-12-01

Melt growth of scintillating halide crystals is reviewed. The vertical Bridgman growth technique is still considered as very popular method that enables production of relatively large and commercially attractive crystals. On the other hand, the micro-pulling-down method is preferable when fabrication of small samples, sufficient for preliminary characterization of their optical and/or scintillation performance, is required. Moreover, bulk crystal growth is also available using the micro-pulling-down furnace. The examples of growths of various halide crystals by industrially friendly melt growth techniques including Czochralski and edge-defined film-fed growth methods are also discussed. Finally, traveling molten zone growth that in some degree corresponds to horizontal zone melting is briefly overviewed.

Alkali Halide Microstructured Optical Fiber for X-Ray Detection

Science.gov (United States)

DeHaven, S. L.; Wincheski, R. A.; Albin, S.

2014-01-01

Microstructured optical fibers containing alkali halide scintillation materials of CsI(Na), CsI(Tl), and NaI(Tl) are presented. The scintillation materials are grown inside the microstructured fibers using a modified Bridgman-Stockbarger technique. The x-ray photon counts of these fibers, with and without an aluminum film coating are compared to the output of a collimated CdTe solid state detector over an energy range from 10 to 40 keV. The photon count results show significant variations in the fiber output based on the materials. The alkali halide fiber output can exceed that of the CdTe detector, dependent upon photon counter efficiency and fiber configuration. The results and associated materials difference are discussed.

Construction of two-dimensional quantum chromodynamics

Energy Technology Data Exchange (ETDEWEB)

Klimek, S.; Kondracki, W.

1987-12-01

We present a sketch of the construction of the functional measure for the SU(2) quantum chromodynamics with one generation of fermions in two-dimensional space-time. The method is based on a detailed analysis of Wilson loops.

A two-dimensional Zn coordination polymer with a three-dimensional supra-molecular architecture.

Science.gov (United States)

Liu, Fuhong; Ding, Yan; Li, Qiuyu; Zhang, Liping

2017-10-01

The title compound, poly[bis-{μ 2 -4,4'-bis-[(1,2,4-triazol-1-yl)meth-yl]biphenyl-κ 2 N 4 : N 4' }bis-(nitrato-κ O )zinc(II)], [Zn(NO 3 ) 2 (C 18 H 16 N 6 ) 2 ] n , is a two-dimensional zinc coordination polymer constructed from 4,4'-bis-[(1 H -1,2,4-triazol-1-yl)meth-yl]-1,1'-biphenyl units. It was synthesized and characterized by elemental analysis and single-crystal X-ray diffraction. The Zn II cation is located on an inversion centre and is coordinated by two O atoms from two symmetry-related nitrate groups and four N atoms from four symmetry-related 4,4'-bis-[(1 H -1,2,4-triazol-1-yl)meth-yl]-1,1'-biphenyl ligands, forming a distorted octa-hedral {ZnN 4 O 2 } coordination geometry. The linear 4,4'-bis-[(1 H -1,2,4-triazol-1-yl)meth-yl]-1,1'-biphenyl ligand links two Zn II cations, generating two-dimensional layers parallel to the crystallographic (132) plane. The parallel layers are connected by C-H⋯O, C-H⋯N, C-H⋯π and π-π stacking inter-actions, resulting in a three-dimensional supra-molecular architecture.

Formation of structured nanophases in halide crystals

Czech Academy of Sciences Publication Activity Database

Kulveit, Jan; Demo, Pavel; Polák, Karel; Sveshnikov, Alexey; Kožíšek, Zdeněk

2013-01-01

Roč. 5, č. 6 (2013), s. 561-564 ISSN 2164-6627 R&D Projects: GA ČR GAP108/12/0891 Institutional support: RVO:68378271 Keywords : halide crystals * nucleation Subject RIV: BM - Solid Matter Physics ; Magnetism http://www.aspbs.com/asem.html#v5n6

Two-dimensional effects in nonlinear Kronig-Penney models

DEFF Research Database (Denmark)

Gaididei, Yuri Borisovich; Christiansen, Peter Leth; Rasmussen, Kim

1997-01-01

An analysis of two-dimensional (2D) effects in the nonlinear Kronig-Penney model is presented. We establish an effective one-dimensional description of the 2D effects, resulting in a set of pseudodifferential equations. The stationary states of the 2D system and their stability is studied...

Determination of the structural phase and octahedral rotation angle in halide perovskites

Science.gov (United States)

dos Reis, Roberto; Yang, Hao; Ophus, Colin; Ercius, Peter; Bizarri, Gregory; Perrodin, Didier; Shalapska, Tetiana; Bourret, Edith; Ciston, Jim; Dahmen, Ulrich

2018-02-01

A key to the unique combination of electronic and optical properties in halide perovskite materials lies in their rich structural complexity. However, their radiation sensitive nature limits nanoscale structural characterization requiring dose efficient microscopic techniques in order to determine their structures precisely. In this work, we determine the space-group and directly image the Br halide sites of CsPbBr3, a promising material for optoelectronic applications. Based on the symmetry of high-order Laue zone reflections of convergent-beam electron diffraction, we identify the tetragonal (I4/mcm) structural phase of CsPbBr3 at cryogenic temperature. Electron ptychography provides a highly sensitive phase contrast measurement of the halide positions under low electron-dose conditions, enabling imaging of the elongated Br sites originating from the out-of-phase octahedral rotation viewed along the [001] direction of I4/mcm persisting at room temperature. The measurement of these features and comparison with simulations yield an octahedral rotation angle of 6.5°(±1.5°). The approach demonstrated here opens up opportunities for understanding the atomic scale structural phenomena applying advanced characterization tools on a wide range of radiation sensitive halide-based all-inorganic and hybrid organic-inorganic perovskites.

Noninteracting beams of ballistic two-dimensional electrons

International Nuclear Information System (INIS)

Spector, J.; Stormer, H.L.; Baldwin, K.W.; Pfeiffer, L.N.; West, K.W.

1991-01-01

We demonstrate that two beams of two-dimensional ballistic electrons in a GaAs-AlGaAs heterostructure can penetrate each other with negligible mutual interaction analogous to the penetration of two optical beams. This allows electrical signal channels to intersect in the same plane with negligible crosstalk between the channels

Absorption lineshape of FA centers in alkali halides

International Nuclear Information System (INIS)

Baldacchini, G.; Giovenale, E.; De Matteis, F.; Scacco, A.; Somma, F.; Grassano, U.M.

1988-01-01

The line shape of the absorption bands of F A centers in alkali halides have been studied for the first time. The new method used for this investigation is based on the determination of the overlap between the F A1 and F A2 bands from luminescence measurements. The experimental results have been compared with calculated values deduced from the theoretical F A bands of different shapes. For both F A (I) centers in KCl:Na + and F A (II) centers in KCl:Li + and RbCl:Li + the absorption lineshape at low temperature is much closer to a sum of two Lorentzian curves than that of two Gaussian or Poissonian bands. This results shows an unexpected difference with the F centers, whose absorption lineshape is known to be Poissonian at the same temperatures

Control Operator for the Two-Dimensional Energized Wave Equation

Directory of Open Access Journals (Sweden)

Sunday Augustus REJU

2006-07-01

Full Text Available This paper studies the analytical model for the construction of the two-dimensional Energized wave equation. The control operator is given in term of space and time t independent variables. The integral quadratic objective cost functional is subject to the constraint of two-dimensional Energized diffusion, Heat and a source. The operator that shall be obtained extends the Conjugate Gradient method (ECGM as developed by Hestenes et al (1952, [1]. The new operator enables the computation of the penalty cost, optimal controls and state trajectories of the two-dimensional energized wave equation when apply to the Conjugate Gradient methods in (Waziri & Reju, LEJPT & LJS, Issues 9, 2006, [2-4] to appear in this series.

Equilibrium: two-dimensional configurations

International Nuclear Information System (INIS)

Anon.

1987-01-01

In Chapter 6, the problem of toroidal force balance is addressed in the simplest, nontrivial two-dimensional geometry, that of an axisymmetric torus. A derivation is presented of the Grad-Shafranov equation, the basic equation describing axisymmetric toroidal equilibrium. The solutions to equations provide a complete description of ideal MHD equilibria: radial pressure balance, toroidal force balance, equilibrium Beta limits, rotational transform, shear, magnetic wall, etc. A wide number of configurations are accurately modeled by the Grad-Shafranov equation. Among them are all types of tokamaks, the spheromak, the reversed field pinch, and toroidal multipoles. An important aspect of the analysis is the use of asymptotic expansions, with an inverse aspect ratio serving as the expansion parameter. In addition, an equation similar to the Grad-Shafranov equation, but for helically symmetric equilibria, is presented. This equation represents the leading-order description low-Beta and high-Beta stellarators, heliacs, and the Elmo bumpy torus. The solutions all correspond to infinitely long straight helices. Bending such a configuration into a torus requires a full three-dimensional calculation and is discussed in Chapter 7

Solvation structures of lithium halides in methanol–water mixtures

International Nuclear Information System (INIS)

Sarkar, Atanu; Dixit, Mayank Kumar; Tembe, B.L.

2015-01-01

Highlights: • Potentials of mean force for Li + -halides are calculated in methanol–water mixtures. • Stable CIP for x methanol = 1.0 becomes unstable at and below x methanol = 0.75. • The Li + ion is preferentially solvated by methanol molecules. • The halide ions are preferentially solvated by water molecules. - Abstract: The potentials of mean force (PMFs) for the ion pairs, Li + −Cl − , Li + −Br − and Li + −I − have been calculated in five methanol–water compositions. The results obtained are verified by trailing the trajectories and calculating the ion pair distance residence times. Local structures around the ions are studied using the radial distribution functions, density profiles, orientational correlation functions, running coordination numbers and excess coordination numbers. The major change in PMF is observed as the methanol mole fraction (x methanol ) is changed from 1.0 to 0.75. The stable contact ion pair occurring for x methanol = 1.0 becomes unstable at and below x methanol = 0.75. The preferential solvation data show that the halide ions are always preferentially solvated by water molecules. Although the lithium ion is preferentially solvated by methanol molecules, there is significant affinity towards water molecules as well

Extended Polymorphism of Two-Dimensional Material

NARCIS (Netherlands)

Yoshida, Masaro; Ye, Jianting; Zhang, Yijin; Imai, Yasuhiko; Kimura, Shigeru; Fujiwara, Akihiko; Nishizaki, Terukazu; Kobayashi, Norio; Nakano, Masaki; Iwasa, Yoshihiro

When controlling electronic properties of bulk materials, we usually assume that the basic crystal structure is fixed. However, in two-dimensional (2D) materials, atomic structure or to functionalize their properties. Various polymorphs can exist in transition metal dichalcogenides (TMDCs) from

Two-dimensional nonlinear equations of supersymmetric gauge theories

International Nuclear Information System (INIS)

Savel'ev, M.V.

1985-01-01

Supersymmetric generalization of two-dimensional nonlinear dynamical equations of gauge theories is presented. The nontrivial dynamics of a physical system in the supersymmetry and supergravity theories for (2+2)-dimensions is described by the integrable embeddings of Vsub(2/2) superspace into the flat enveloping superspace Rsub(N/M), supplied with the structure of a Lie superalgebra. An equation is derived which describes a supersymmetric generalization of the two-dimensional Toda lattice. It contains both super-Liouville and Sinh-Gordon equations

Superintegrability on the two dimensional hyperboloid

International Nuclear Information System (INIS)

Akopyan, E.; Pogosyan, G.S.; Kalnins, E.G.; Miller, W. Jr

1998-01-01

This work is devoted to the investigation of the quantum mechanical systems on the two dimensional hyperboloid which admit separation of variables in at least two coordinate systems. Here we consider two potentials introduced in a paper of C.P.Boyer, E.G.Kalnins and P.Winternitz, which haven't been studied yet. An example of an interbasis expansion is given and the structure of the quadratic algebra generated by the integrals of motion is carried out

Electron detachment energies in high-symmetry alkali halide solvated-electron anions

Science.gov (United States)

Anusiewicz, Iwona; Berdys, Joanna; Simons, Jack; Skurski, Piotr

2003-07-01

We decompose the vertical electron detachment energies (VDEs) in solvated-electron clusters of alkali halides in terms of (i) an electrostatic contribution that correlates with the dipole moment (μ) of the individual alkali halide molecule and (ii) a relaxation component that is related to the polarizability (α) of the alkali halide molecule. Detailed numerical ab initio results for twelve species (MX)n- (M=Li,Na; X=F,Cl,Br; n=2,3) are used to construct an interpolation model that relates the clusters' VDEs to their μ and α values as well as a cluster size parameter r that we show is closely related to the alkali cation's ionic radius. The interpolation formula is then tested by applying it to predict the VDEs of four systems [i.e., (KF)2-, (KF)3-, (KCl)2-, and (KCl)3-] that were not used in determining the parameters of the model. The average difference between the model's predicted VDEs and the ab initio calculated electron binding energies is less than 4% (for the twelve species studied). It is concluded that one can easily estimate the VDE of a given high-symmetry solvated electron system by employing the model put forth here if the α, μ and cation ionic radii are known. Alternatively, if VDEs are measured for an alkali halide cluster and the α and μ values are known, one can estimate the r parameter, which, in turn, determines the "size" of the cluster anion.

Few helium atoms in quasi two-dimensional space

International Nuclear Information System (INIS)

Kilic, Srecko; Vranjes, Leandra

2003-01-01

Two, three and four 3 He and 4 He atoms in quasi two-dimensional space above graphite and cesium surfaces and in 'harmonic' potential perpendicular to the surface have been studied. Using some previously examined variational wave functions and the Diffusion Monte Carlo procedure, it has been shown that all molecules: dimers, trimers and tetramers, are bound more strongly than in pure two- and three-dimensional space. The enhancement of binding with respect to unrestricted space is more pronounced on cesium than on graphite. Furthermore, for 3 He 3 ( 3 He 4 ) on all studied surfaces, there is an indication that the configuration of a dimer and a 'free' particle (two dimers) may be equivalently established

Dynamic three-dimensional display of common congenital cardiac defects from reconstruction of two-dimensional echocardiographic images.

Science.gov (United States)

Hsieh, K S; Lin, C C; Liu, W S; Chen, F L

1996-01-01

Two-dimensional echocardiography had long been a standard diagnostic modality for congenital heart disease. Further attempts of three-dimensional reconstruction using two-dimensional echocardiographic images to visualize stereotypic structure of cardiac lesions have been successful only recently. So far only very few studies have been done to display three-dimensional anatomy of the heart through two-dimensional image acquisition because such complex procedures were involved. This study introduced a recently developed image acquisition and processing system for dynamic three-dimensional visualization of various congenital cardiac lesions. From December 1994 to April 1995, 35 cases were selected in the Echo Laboratory here from about 3000 Echo examinations completed. Each image was acquired on-line with specially designed high resolution image grazmber with EKG and respiratory gating technique. Off-line image processing using a window-architectured interactive software package includes construction of 2-D ehcocardiographic pixel to 3-D "voxel" with conversion of orthogonal to rotatory axial system, interpolation, extraction of region of interest, segmentation, shading and, finally, 3D rendering. Three-dimensional anatomy of various congenital cardiac defects was shown, including four cases with ventricular septal defects, two cases with atrial septal defects, and two cases with aortic stenosis. Dynamic reconstruction of a "beating heart" is recorded as vedio tape with video interface. The potential application of 3D display of the reconstruction from 2D echocardiographic images for the diagnosis of various congenital heart defects has been shown. The 3D display was able to improve the diagnostic ability of echocardiography, and clear-cut display of the various congenital cardiac defects and vavular stenosis could be demonstrated. Reinforcement of current techniques will expand future application of 3D display of conventional 2D images.

Exploring two-dimensional electron gases with two-dimensional Fourier transform spectroscopy

Energy Technology Data Exchange (ETDEWEB)

Paul, J.; Dey, P.; Karaiskaj, D., E-mail: karaiskaj@usf.edu [Department of Physics, University of South Florida, 4202 East Fowler Ave., Tampa, Florida 33620 (United States); Tokumoto, T.; Hilton, D. J. [Department of Physics, University of Alabama at Birmingham, Birmingham, Alabama 35294 (United States); Reno, J. L. [CINT, Sandia National Laboratories, Albuquerque, New Mexico 87185 (United States)

2014-10-07

The dephasing of the Fermi edge singularity excitations in two modulation doped single quantum wells of 12 nm and 18 nm thickness and in-well carrier concentration of ∼4 × 10{sup 11} cm{sup −2} was carefully measured using spectrally resolved four-wave mixing (FWM) and two-dimensional Fourier transform (2DFT) spectroscopy. Although the absorption at the Fermi edge is broad at this doping level, the spectrally resolved FWM shows narrow resonances. Two peaks are observed separated by the heavy hole/light hole energy splitting. Temperature dependent “rephasing” (S{sub 1}) 2DFT spectra show a rapid linear increase of the homogeneous linewidth with temperature. The dephasing rate increases faster with temperature in the narrower 12 nm quantum well, likely due to an increased carrier-phonon scattering rate. The S{sub 1} 2DFT spectra were measured using co-linear, cross-linear, and co-circular polarizations. Distinct 2DFT lineshapes were observed for co-linear and cross-linear polarizations, suggesting the existence of polarization dependent contributions. The “two-quantum coherence” (S{sub 3}) 2DFT spectra for the 12 nm quantum well show a single peak for both co-linear and co-circular polarizations.

Local Polar Fluctuations in Lead Halide Perovskite Crystals

Energy Technology Data Exchange (ETDEWEB)

Yaffe, Omer; Guo, Yinsheng; Tan, Liang Z.; Egger, David A.; Hull, Trevor; Stoumpos, Constantinos C.; Zheng, Fan; Heinz, Tony F.; Kronik, Leeor; Kanatzidis, Mercouri G.; Owen, Jonathan S.; Rappe, Andrew M.; Pimenta, Marcos A.; Brus, Louis E.

2017-03-01

Hybrid lead-halide perovskites have emerged as an excellent class of photovoltaic materials. Recent reports suggest that the organic molecular cation is responsible for local polar fluctuations that inhibit carrier recombination. We combine low-frequency Raman scattering with first-principles molecular dynamics (MD) to study the fundamental nature of these local polar fluctuations. Our observations of a strong central peak in the cubic phase of both hybrid (CH3NH3PbBr3) and all-inorganic (CsPbBr3) leadhalide perovskites show that anharmonic, local polar fluctuations are intrinsic to the general lead-halide perovskite structure, and not unique to the dipolar organic cation. MD simulations indicate that head-tohead Cs motion coupled to Br face expansion, occurring on a few hundred femtosecond time scale, drives the local polar fluctuations in CsPbBr3.

Two-dimensional time dependent Riemann solvers for neutron transport

International Nuclear Information System (INIS)

Brunner, Thomas A.; Holloway, James Paul

2005-01-01

A two-dimensional Riemann solver is developed for the spherical harmonics approximation to the time dependent neutron transport equation. The eigenstructure of the resulting equations is explored, giving insight into both the spherical harmonics approximation and the Riemann solver. The classic Roe-type Riemann solver used here was developed for one-dimensional problems, but can be used in multidimensional problems by treating each face of a two-dimensional computation cell in a locally one-dimensional way. Several test problems are used to explore the capabilities of both the Riemann solver and the spherical harmonics approximation. The numerical solution for a simple line source problem is compared to the analytic solution to both the P 1 equation and the full transport solution. A lattice problem is used to test the method on a more challenging problem

On the ground state of the two-dimensional non-ideal Bose gas

International Nuclear Information System (INIS)

Lozovik, Yu.E.; Yudson, V.I.

1978-01-01

The theory of the ground state of the two-dimensional non-ideal Bose gas is presented. The conditions for the validity of the ladder and the Bogolubov approximations are derived. These conditions ensure the existence of a Bose condensate in the ground state of two-dimensional systems. These conditions are different from the corresponding conditions for the three-dimensional case. The connection between the effective interaction and the two-dimensional scattering amplitude at some characteristic energy kappa 2 /2m (not equal to 0) is obtained (f(kappa = 0) = infinity in the two-dimensional case). (Auth.)

Method for coupling two-dimensional to three-dimensional discrete ordinates calculations

International Nuclear Information System (INIS)

Thompson, J.L.; Emmett, M.B.; Rhoades, W.A.; Dodds, H.L. Jr.

1985-01-01

A three-dimensional (3-D) discrete ordinates transport code, TORT, has been developed at the Oak Ridge National Laboratory for radiation penetration studies. It is not feasible to solve some 3-D penetration problems with TORT, such as a building located a large distance from a point source, because (a) the discretized 3-D problem is simply too big to fit on the computer or (b) the computing time (and corresponding cost) is prohibitive. Fortunately, such problems can be solved with a hybrid approach by coupling a two-dimensional (2-D) description of the point source, which is assumed to be azimuthally symmetric, to a 3-D description of the building, the region of interest. The purpose of this paper is to describe this hybrid methodology along with its implementation and evaluation in the DOTTOR (Discrete Ordinates to Three-dimensional Oak Ridge Transport) code

Layered Halide Double Perovskites Cs3+nM(II)nSb2X9+3n (M = Sn, Ge) for Photovoltaic Applications.

Science.gov (United States)

Tang, Gang; Xiao, Zewen; Hosono, Hideo; Kamiya, Toshio; Fang, Daining; Hong, Jiawang

2018-01-04

Over the past few years, the development of lead-free and stable perovskite absorbers with excellent performance has attracted extensive attention. Much effort has been devoted to screening and synthesizing this type of solar cell absorbers. Here, we present a general design strategy for designing the layered halide double perovskites Cs 3+n M(II) n Sb 2 X 9+3n (M = Sn, Ge) with desired photovoltaic-relevant properties by inserting [MX 6 ] octahedral layers, based on the principles of increased electronic dimensionality. Compared to Cs 3 Sb 2 I 9 , more suitable band gaps, smaller carrier effective masses, larger dielectric constants, lower exciton binding energies, and higher optical absorption can be achieved by inserting variable [SnI 6 ] or [GeI 6 ] octahedral layers into the [Sb 2 I 9 ] bilayers. Moreover, our results show that adjusting the thickness of inserted octahedral layers is an effective approach to tune the band gaps and carrier effective masses in a large range. Our work provides useful guidance for designing the promising layered antimony halide double perovskite absorbers for photovoltaic applications.

Warranty menu design for a two-dimensional warranty

International Nuclear Information System (INIS)

Ye, Zhi-Sheng; Murthy, D.N. Pra

2016-01-01

Fierce competitions in the commercial product market have forced manufacturers to provide customer-friendly warranties with a view to achieving higher customer satisfaction and increasing the market share. This study proposes a strategy that offers customers a two-dimensional warranty menu with a number of warranty choices, called a flexible warranty policy. We investigate the design of a flexible two-dimensional warranty policy that contains a number of rectangular regions. This warranty policy is obtained by dividing customers into several groups according to their use rates and providing each group a germane warranty region. Consumers choose a favorable one from the menu according to their usage behaviors. Evidently, this flexible warranty policy is attractive to users of different usage behaviors, and thus, it gives the manufacturer a good position in advertising the product. When consumers are unaware about their use rates upon purchase, we consider a fixed two-dimensional warranty policy with a stair-case warranty region and show that it is equivalent to the flexible policy. Such an equivalence reveals the inherent relationship between the rectangular warranty policy, the L-shape warranty policy, the step-stair warranty policy and the iso-probability of failure warranty policy that were extensively discussed in the literature. - Highlights: • We design a two-dimensional warranty menu with a number of warranty choices. • Consumers can choose a favorable one from the menu as per their usage behavior. • We further consider a fixed 2D warranty policy with a stair-case warranty region. • We show the equivalence of the two warranty policies.

Thermal battery. [solid metal halide electrolytes with enhanced electrical conductance after a phase transition

Science.gov (United States)

Carlsten, R.W.; Nissen, D.A.

1973-03-06

The patent describes an improved thermal battery whose novel design eliminates various disadvantages of previous such devices. Its major features include a halide cathode, a solid metal halide electrolyte which has a substantially greater electrical conductance after a phase transition at some temperature, and a means for heating its electrochemical cells to activation temperature.

Conformal invariance and two-dimensional physics

International Nuclear Information System (INIS)

Zuber, J.B.

1993-01-01

Actually, physicists and mathematicians are very interested in conformal invariance: geometric transformations which keep angles. This symmetry is very important for two-dimensional systems as phase transitions, string theory or node mathematics. In this article, the author presents the conformal invariance and explains its usefulness

Multisoliton formula for completely integrable two-dimensional systems

International Nuclear Information System (INIS)

Chudnovsky, D.V.; Chudnovsky, G.V.

1979-01-01

For general two-dimensional completely integrable systems, the exact formulae for multisoliton type solutions are given. The formulae are obtained algebrically from solutions of two linear partial differential equations

Analysis and modeling of alkali halide aqueous solutions

DEFF Research Database (Denmark)

Kim, Sun Hyung; Anantpinijwatna, Amata; Kang, Jeong Won

2016-01-01

on calculations for various electrolyte properties of alkali halide aqueous solutions such as mean ionic activity coefficients, osmotic coefficients, and salt solubilities. The model covers highly nonideal electrolyte systems such as lithium chloride, lithium bromide and lithium iodide, that is, systems...

A study on the localized corrosion of cobalt in bicarbonate solutions containing halide ions

Energy Technology Data Exchange (ETDEWEB)

Gallant, Danick [Departement de Biologie, Chimie et Sciences de la Sante, Universite du Quebec a Rimouski, 300, Allee des Ursulines, Rimouski, Que., G5L 3A1 (Canada); Departement de Chimie, Universite Laval, Quebec, Que., G1K 7P4 (Canada); Simard, Stephan [Departement de Biologie, Chimie et Sciences de la Sante, Universite du Quebec a Rimouski, 300, Allee des Ursulines, Rimouski, Que., G5L 3A1 (Canada)]. E-mail: stephan_simard@uqar.qc.ca

2005-07-01

The localized attack of cobalt in bicarbonate aqueous solutions containing halide ions was investigated using electrochemical techniques, scanning electron microscopy, UV-visible and Raman spectroscopies. Rotating disc and rotating ring-disc electrodes were used to determine the effect of bicarbonate concentration, solution pH, nature and concentration of the halide ions, convection and potential sweep rate on the corrosion processes. These parameters were found to play a key role on the localized attack induced by halide ions by influencing the production of a Co(HCO{sub 3}){sub 2} precipitate on the pit surface. Potentiostatically generated cobalt oxide films (CoO and Co{sub 3}O{sub 4}) were found to be efficient to reduce pitting corrosion of cobalt.

The blind student’s interpretation of two-dimensional shapes in geometry

Science.gov (United States)

Andriyani; Budayasa, I. K.; Juniati, D.

2018-01-01

The blind student’s interpretation of two-dimensional shapes represents the blind student’s mental image of two-dimensional shapes that they can’t visualize directly, which is related to illustration of the characteristics and number of edges and angles. The objective of this research is to identify the blind student’s interpretation of two-dimensional shapes. This research was an exploratory study with qualitative approach. A subject of this research is a sixth-grade student who experiencing total blind from the fifth grade of elementary school. Researchers interviewed the subject about his interpretation of two-dimensional shapes according to his thinking.The findings of this study show the uniqueness of blind students, who have been totally blind since school age, in knowing and illustrating the characteristics of edges and angles of two-dimensional shapes by utilizing visual experiences that were previously obtained before the blind. The result can inspire teachers to design further learning for development of blind student geometry concepts.

Adsorption of molecular additive onto lead halide perovskite surfaces: A computational study on Lewis base thiophene additive passivation

Science.gov (United States)

Zhang, Lei; Yu, Fengxi; Chen, Lihong; Li, Jingfa

2018-06-01

Organic additives, such as the Lewis base thiophene, have been successfully applied to passivate halide perovskite surfaces, improving the stability and properties of perovskite devices based on CH3NH3PbI3. Yet, the detailed nanostructure of the perovskite surface passivated by additives and the mechanisms of such passivation are not well understood. This study presents a nanoscopic view on the interfacial structure of an additive/perovskite interface, consisting of a Lewis base thiophene molecular additive and a lead halide perovskite surface substrate, providing insights on the mechanisms that molecular additives can passivate the halide perovskite surfaces and enhance the perovskite-based device performance. Molecular dynamics study on the interactions between water molecules and the perovskite surfaces passivated by the investigated additive reveal the effectiveness of employing the molecular additives to improve the stability of the halide perovskite materials. The additive/perovskite surface system is further probed via molecular engineering the perovskite surfaces. This study reveals the nanoscopic structure-property relationships of the halide perovskite surface passivated by molecular additives, which helps the fundamental understanding of the surface/interface engineering strategies for the development of halide perovskite based devices.

Nature of the superionic transition in Ag+ and Cu+ halides

International Nuclear Information System (INIS)

Keen, D.A.; Hull, S.; Barnes, A.C.; Berastegui, P.; Crichton, W.A.; Madden, P.A.; Tucker, M.G.; Wilson, M.

2003-01-01

Silver and copper halides generally display an abrupt (first-order) transition to the superionic state. However, powder diffraction studies and molecular dynamics (MD) simulations of AgI under hydrostatic pressure both indicate that a continuous superionic transition occurs on heating. The gradual onset of the highly conducting state is accompanied by an increasing fraction of dynamic Frenkel defects, a peak in the specific heat and anomalous behavior of the lattice expansion. Similar methods have been employed to investigate the proposed continuous superionic transition between the two ambient pressure face centered cubic phases of CuI. This is difficult to examine experimentally, because the hexagonal β phase exists over a narrow temperature range between the γ (cation ordered) and α (cation disordered) phases. MD simulations performed with the simulation box constrained to remain cubic at all temperatures show that, although limited Cu + Frenkel disorder occurs within γ-CuI, CuI undergoes an abrupt superionic transition at 670 K to the superionic α phase. This is supported by powder neutron diffraction studies of CuI lightly doped with Cs + to prevent stabilization of the β phase. The implications of these results on the phase transitions of other copper and silver halide superionic conductors are discussed

Critical Behaviour of a Two-Dimensional Random Antiferromagnet

DEFF Research Database (Denmark)

Als-Nielsen, Jens Aage; Birgeneau, R. J.; Guggenheim, H. J.

1976-01-01

A neutron scattering study of the order parameter, correlation length and staggered susceptibility of the two-dimensional random antiferromagnet Rb2Mn0.5Ni0.5F4 is reported. The system is found to exhibit a well-defined phase transition with critical exponents identical to those of the isomorphou...... pure materials K2NiF4 and K2MnF4. Thus, in these systems, which have the asymptotic critical behaviour of the two-dimensional Ising model, randomness has no measurable effect on the phase-transition behaviour....

Energy distributions of atoms sputtered from alkali halides by 540 eV electrons, Ch.1

International Nuclear Information System (INIS)

Overeijnder, H.; Szymonski, M.; Haring, A.; Vries, A.E. de

1978-01-01

The emission of halogen and alkali atoms, occurring under bombardment of alkali halides with electrons has been investigated. The electron energy was 540 eV and the temperature of the target was varied between room temperature and 400 0 C. The energy distribution of the emitted neutral particles was measured with a time of flight method. It was found that either diffusing interstitial halogen atoms or moving holes dominate the sputtering process above 200 0 C. Below 150 0 C alkali halides with lattice parameters s/d >= 0.33 show emission of non-thermal halogen atoms. s is the interionic space between two halogen ions in a direction and d is the diameter of a halogen atom. In general the energy distribution of the alkali and halogen atoms is thermal above 200 0 C, but not Maxwellian. (Auth.)

Reliability of tunnel angle in ACL reconstruction: two-dimensional versus three-dimensional guide technique.

Science.gov (United States)

Leiter, Jeff R S; de Korompay, Nevin; Macdonald, Lindsey; McRae, Sheila; Froese, Warren; Macdonald, Peter B

2011-08-01

To compare the reliability of tibial tunnel position and angle produced with a standard ACL guide (two-dimensional guide) or Howell 65° Guide (three-dimensional guide) in the coronal and sagittal planes. In the sagittal plane, the dependent variables were the angle of the tibial tunnel relative to the tibial plateau and the position of the tibial tunnel with respect to the most posterior aspect of the tibia. In the coronal plane, the dependent variables were the angle of the tunnel with respect to the medial joint line of the tibia and the medial and lateral placement of the tibial tunnel relative to the most medial aspect of the tibia. The position and angle of the tibial tunnel in the coronal and sagittal planes were determined from anteroposterior and lateral radiographs, respectively, taken 2-6 months postoperatively. The two-dimensional and three-dimensional guide groups included 28 and 24 sets of radiographs, respectively. Tibial tunnel position was identified, and tunnel angle measurements were completed. Multiple investigators measured the position and angle of the tunnel 3 times, at least 7 days apart. The angle of the tibial tunnel in the coronal plane using a two-dimensional guide (61.3 ± 4.8°) was more horizontal (P guide (64.7 ± 6.2°). The position of the tibial tunnel in the sagittal plane was more anterior (P guide group compared to the three-dimensional guide group (43.3 ± 2.9%). The Howell Tibial Guide allows for reliable placement of the tibial tunnel in the coronal plane at an angle of 65°. Tibial tunnels were within the anatomical footprint of the ACL with either technique. Future studies should investigate the effects of tibial tunnel angle on knee function and patient quality of life. Case-control retrospective comparative study, Level III.

Equilibrium, thermodynamic and kinetic studies for the biosorption of aqueous lead(II), cadmium(II) and nickel(II) ions on Spirulina platensis

Energy Technology Data Exchange (ETDEWEB)

Seker, Ayseguel [Department of Chemistry, Izmir Institute of Technology, Urla 35430, Izmir (Turkey)], E-mail: aysegulseker@iyte.edu.tr; Shahwan, Talal [Department of Chemistry, Izmir Institute of Technology, Urla 35430, Izmir (Turkey)], E-mail: talalshahwan@iyte.edu.tr; Eroglu, Ahmet E. [Department of Chemistry, Izmir Institute of Technology, Urla 35430, Izmir (Turkey)], E-mail: ahmeteroglu@iyte.edu.tr; Yilmaz, Sinan [Department of Chemistry, Izmir Institute of Technology, Urla 35430, Izmir (Turkey)], E-mail: sinanyilmaz@iyte.edu.tr; Demirel, Zeliha [Department of Biology, Ege University, Bornova 35100, Izmir (Turkey)], E-mail: zelihademirel@gmail.com; Dalay, Meltem Conk [Department of Bioengineering, Ege University, Bornova 35100, Izmir (Turkey)], E-mail: meltemconkdalay@gmail.com

2008-06-15

The biosorption of lead(II), cadmium(II) and nickel(II) ions from aqueous solution by Spirulina platensis was studied as a function of time, concentration, temperature, repetitive reactivity, and ionic competition. The kinetic results obeyed well the pseudo second-order model. Freundlich, Dubinin Radushkevich and Temkin isotherm models were applied in describing the equilibrium partition of the ions. Freundlich isotherm was applied to describe the design of a single-stage batch sorption system. According to the thermodynamic parameters such as {delta}G{sup o}, {delta}H{sup o}and {delta}S{sup o} calculated, the sorption process was endothermic and largely driven towards the products. Sorption activities in a three metal ion system were studied which indicated that there is a relative selectivity of the biosorbent towards Pb{sup 2+} ions. The measurements of the repetitive reusability of S. platensis indicated a large capacity towards the three metal ions.

Matching Two-dimensional Gel Electrophoresis' Spots

DEFF Research Database (Denmark)

Dos Anjos, António; AL-Tam, Faroq; Shahbazkia, Hamid Reza

2012-01-01

This paper describes an approach for matching Two-Dimensional Electrophoresis (2-DE) gels' spots, involving the use of image registration. The number of false positive matches produced by the proposed approach is small, when compared to academic and commercial state-of-the-art approaches. This ar...

Rational solutions to two- and one-dimensional multicomponent Yajima–Oikawa systems

International Nuclear Information System (INIS)

Chen, Junchao; Chen, Yong; Feng, Bao-Feng; Maruno, Ken-ichi

2015-01-01

Exact explicit rational solutions of two- and one-dimensional multicomponent Yajima–Oikawa (YO) systems, which contain multi-short-wave components and single long-wave one, are presented by using the bilinear method. For two-dimensional system, the fundamental rational solution first describes the localized lumps, which have three different patterns: bright, intermediate and dark states. Then, rogue waves can be obtained under certain parameter conditions and their behaviors are also classified to above three patterns with different definition. It is shown that the simplest (fundamental) rogue waves are line localized waves which arise from the constant background with a line profile and then disappear into the constant background again. In particular, two-dimensional intermediate and dark counterparts of rogue wave are found with the different parameter requirements. We demonstrate that multirogue waves describe the interaction of several fundamental rogue waves, in which interesting curvy wave patterns appear in the intermediate times. Different curvy wave patterns form in the interaction of different types fundamental rogue waves. Higher-order rogue waves exhibit the dynamic behaviors that the wave structures start from lump and then retreat back to it, and this transient wave possesses the patterns such as parabolas. Furthermore, different states of higher-order rogue wave result in completely distinguishing lumps and parabolas. Moreover, one-dimensional rogue wave solutions with three states are constructed through the further reduction. Specifically, higher-order rogue wave in one-dimensional case is derived under the parameter constraints. - Highlights: • Exact explicit rational solutions of two-and one-dimensional multicomponent Yajima–Oikawa systems. • Two-dimensional rogue wave contains three different patterns: bright, intermediate and dark states. • Multi- and higher-order rogue waves exhibit distinct dynamic behaviors in two-dimensional case

2D halide perovskite-based van der Waals heterostructures: contact evaluation and performance modulation

Science.gov (United States)

Guo, Yaguang; Saidi, Wissam A.; Wang, Qian

2017-09-01

Halide perovskites and van der Waals (vdW) heterostructures are both of current interest owing to their novel properties and potential applications in nano-devices. Here, we show the great potential of 2D halide perovskite sheets (C4H9NH3)2PbX4 (X  =  Cl, Br and I) that were synthesized recently (Dou et al 2015 Science 349 1518-21) as the channel materials contacting with graphene and other 2D metallic sheets to form van der Waals heterostructures for field effect transistor (FET). Based on state-of-the-art theoretical simulations, we show that the intrinsic properties of the 2D halide perovskites are preserved in the heterojunction, which is different from the conventional contact with metal surfaces. The 2D halide perovskites form a p-type Schottky barrier (Φh) contact with graphene, where tunneling barrier exists, and a negative band bending occurs at the lateral interface. We demonstrate that the Schottky barrier can be turned from p-type to n-type by doping graphene with nitrogen atoms, and a low-Φh or an Ohmic contact can be realized by doping graphene with boron atoms or replacing graphene with other high-work-function 2D metallic sheets such as ZT-MoS2, ZT-MoSe2 and H-NbS2. This study not only predicts a 2D halide perovskite-based FETs, but also enhances the understanding of tuning Schottky barrier height in device applications.

Two-dimensional sensitivity calculation code: SENSETWO

International Nuclear Information System (INIS)

Yamauchi, Michinori; Nakayama, Mitsuo; Minami, Kazuyoshi; Seki, Yasushi; Iida, Hiromasa.

1979-05-01

A SENSETWO code for the calculation of cross section sensitivities with a two-dimensional model has been developed, on the basis of first order perturbation theory. It uses forward neutron and/or gamma-ray fluxes and adjoint fluxes obtained by two-dimensional discrete ordinates code TWOTRAN-II. The data and informations of cross sections, geometry, nuclide density, response functions, etc. are transmitted to SENSETWO by the dump magnetic tape made in TWOTRAN calculations. The required input for SENSETWO calculations is thus very simple. The SENSETWO yields as printed output the cross section sensitivities for each coarse mesh zone and for each energy group, as well as the plotted output of sensitivity profiles specified by the input. A special feature of the code is that it also calculates the reaction rate with the response function used as the adjoint source in TWOTRAN adjoint calculation and the calculated forward flux from the TWOTRAN forward calculation. (author)

High-velocity two-phase flow two-dimensional modeling

International Nuclear Information System (INIS)

Mathes, R.; Alemany, A.; Thilbault, J.P.

1995-01-01

The two-phase flow in the nozzle of a LMMHD (liquid metal magnetohydrodynamic) converter has been studied numerically and experimentally. A two-dimensional model for two-phase flow has been developed including the viscous terms (dragging and turbulence) and the interfacial mass, momentum and energy transfer between the phases. The numerical results were obtained by a finite volume method based on the SIMPLE algorithm. They have been verified by an experimental facility using air-water as a simulation pair and a phase Doppler particle analyzer for velocity and droplet size measurement. The numerical simulation of a lithium-cesium high-temperature pair showed that a nearly homogeneous and isothermal expansion of the two phases is possible with small pressure losses and high kinetic efficiencies. In the throat region a careful profiling is necessary to reduce the inertial effects on the liquid velocity field

Structures of butyl ions formed by electron impact ionization of isomeric butyl halides and alkanes

International Nuclear Information System (INIS)

Shold, D.M.; Ausloos, P.

1978-01-01

Using a pulsed ion cyclotron resonance (ICR) spectrometer, it is demonstrated that at pressures of about 10 -6 Torr and at observation times ranging from 10 -3 to 0.5 s, isobutane, neopentane, 2,2-dimethylbutane, isobutyl halides, and tert-butyl halides form C 4 H 9 + ions having the tertiary structure. In n-alkanes, 2-methylbutane, 3-methylpentane, n-butyl halides, and sec-butyl halides, both sec-C 4 H 9 + and t-C 4 H 9 + ions are observed, the sec-C 4 H 9 + ions surviving without rearrangement for at least 0.1 s. However, in the case of the halides, a collision-induced isomerization of the sec-C 4 H 9 + to the t-C 4 H 9 + ions occurs. The efficiency of this process increases with the basicity of the alkyl halide. Radiolysis experiments carried out at atmospheric pressures indicate, in agreement with ICR and solution experiments, that at times as short as 10 -10 s the majority of the i-C 4 H 9 + ions from isobutyl bromide rearrange to the t-C 4 H 9 + structure. On the other hand, in the radiolysis of both n-hexane and 3-methylpentane, the abundance of t-C 4 H 9 + relative to sec-C 4 H 9 + is substantially smaller than that observed in the ICR experiments, and decreases with decreasing collision interval. It is suggested that about 90% of the i-C 4 H 9 + can rearrange to t-C 4 H 9 + by simple 1,2-hydride shift without involving secondary or protonated methylcyclopropane structures as intermediates. 4 figures, 2 tables

Extinction maps toward the Milky Way bulge: Two-dimensional and three-dimensional tests with apogee

Energy Technology Data Exchange (ETDEWEB)

Schultheis, M. [Université de Nice Sophia-Antipolis, CNRS, Observatoire de Côte d' Azur, Laboratoire Lagrange, 06304 Nice Cedex 4 (France); Zasowski, G. [Department of Physics and Astronomy, Johns Hopkins University, Baltimore, MD 21218 (United States); Allende Prieto, C. [Instituto de Astrofísica de Canarias, Calle Vía Láctea s/n, E-38205 La Laguna, Tenerife (Spain); Anders, F.; Chiappini, C. [Leibniz-Institut für Astrophysik Potsdam (AIP), D-14482 Potsdam (Germany); Beaton, R. L.; García Pérez, A. E.; Majewski, S. R. [Department of Astronomy, University of Virginia, Charlottesville, VA 22904 (United States); Beers, T. C. [National Optical Astronomy Observatory, Tucson, AZ 85719 (United States); Bizyaev, D. [Apache Point Observatory, Sunspot, NM 88349 (United States); Frinchaboy, P. M. [Department of Physics and Astronomy, Texas Christian University, TCU Box 298840, Fort Worth, TX 76129 (United States); Ge, J. [Astronomy Department, University of Florida, Gainesville, FL 32611 (United States); Hearty, F.; Schneider, D. P. [Department of Astronomy and Astrophysics, The Pennsylvania State University, University Park, PA 16802 (United States); Holtzman, J. [New Mexico State University, Las Cruces, NM 88003 (United States); Muna, D. [Department of Astronomy, The Ohio State University, Columbus, OH 43210 (United States); Nidever, D. [Department of Astronomy, University of Michigan, Ann Arbor, MI 48109 (United States); Shetrone, M., E-mail: mathias.schultheis@oca.eu, E-mail: gail.zasowski@gmail.com [McDonald Observatory, The University of Texas at Austin, Austin, TX 78712 (United States)

2014-07-01

Galactic interstellar extinction maps are powerful and necessary tools for Milky Way structure and stellar population analyses, particularly toward the heavily reddened bulge and in the midplane. However, due to the difficulty of obtaining reliable extinction measures and distances for a large number of stars that are independent of these maps, tests of their accuracy and systematics have been limited. Our goal is to assess a variety of photometric stellar extinction estimates, including both two-dimensional and three-dimensional extinction maps, using independent extinction measures based on a large spectroscopic sample of stars toward the Milky Way bulge. We employ stellar atmospheric parameters derived from high-resolution H-band Apache Point Observatory Galactic Evolution Experiment (APOGEE) spectra, combined with theoretical stellar isochrones, to calculate line-of-sight extinction and distances for a sample of more than 2400 giants toward the Milky Way bulge. We compare these extinction values to those predicted by individual near-IR and near+mid-IR stellar colors, two-dimensional bulge extinction maps, and three-dimensional extinction maps. The long baseline, near+mid-IR stellar colors are, on average, the most accurate predictors of the APOGEE extinction estimates, and the two-dimensional and three-dimensional extinction maps derived from different stellar populations along different sightlines show varying degrees of reliability. We present the results of all of the comparisons and discuss reasons for the observed discrepancies. We also demonstrate how the particular stellar atmospheric models adopted can have a strong impact on this type of analysis, and discuss related caveats.

Extinction maps toward the Milky Way bulge: Two-dimensional and three-dimensional tests with apogee

International Nuclear Information System (INIS)

Schultheis, M.; Zasowski, G.; Allende Prieto, C.; Anders, F.; Chiappini, C.; Beaton, R. L.; García Pérez, A. E.; Majewski, S. R.; Beers, T. C.; Bizyaev, D.; Frinchaboy, P. M.; Ge, J.; Hearty, F.; Schneider, D. P.; Holtzman, J.; Muna, D.; Nidever, D.; Shetrone, M.

2014-01-01

Galactic interstellar extinction maps are powerful and necessary tools for Milky Way structure and stellar population analyses, particularly toward the heavily reddened bulge and in the midplane. However, due to the difficulty of obtaining reliable extinction measures and distances for a large number of stars that are independent of these maps, tests of their accuracy and systematics have been limited. Our goal is to assess a variety of photometric stellar extinction estimates, including both two-dimensional and three-dimensional extinction maps, using independent extinction measures based on a large spectroscopic sample of stars toward the Milky Way bulge. We employ stellar atmospheric parameters derived from high-resolution H-band Apache Point Observatory Galactic Evolution Experiment (APOGEE) spectra, combined with theoretical stellar isochrones, to calculate line-of-sight extinction and distances for a sample of more than 2400 giants toward the Milky Way bulge. We compare these extinction values to those predicted by individual near-IR and near+mid-IR stellar colors, two-dimensional bulge extinction maps, and three-dimensional extinction maps. The long baseline, near+mid-IR stellar colors are, on average, the most accurate predictors of the APOGEE extinction estimates, and the two-dimensional and three-dimensional extinction maps derived from different stellar populations along different sightlines show varying degrees of reliability. We present the results of all of the comparisons and discuss reasons for the observed discrepancies. We also demonstrate how the particular stellar atmospheric models adopted can have a strong impact on this type of analysis, and discuss related caveats.

Two dimensional unstable scar statistics.

Energy Technology Data Exchange (ETDEWEB)

Warne, Larry Kevin; Jorgenson, Roy Eberhardt; Kotulski, Joseph Daniel; Lee, Kelvin S. H. (ITT Industries/AES Los Angeles, CA)

2006-12-01

This report examines the localization of time harmonic high frequency modal fields in two dimensional cavities along periodic paths between opposing sides of the cavity. The cases where these orbits lead to unstable localized modes are known as scars. This paper examines the enhancements for these unstable orbits when the opposing mirrors are both convex and concave. In the latter case the construction includes the treatment of interior foci.

Dipole-dipole van der Waals interaction in alkali halides

International Nuclear Information System (INIS)

Thakur, B.N.; Thakur, K.P.

1978-01-01

Values of van der Waals dipole-dipole constants and interaction energetics of alkali halides are reported using the recent data. The values obtained are somewhat larger than those of earlier workers. (orig.) [de

Temperature maxima in stable two-dimensional shock waves

International Nuclear Information System (INIS)

Kum, O.; Hoover, W.G.; Hoover, C.G.

1997-01-01

We use molecular dynamics to study the structure of moderately strong shock waves in dense two-dimensional fluids, using Lucy pair potential. The stationary profiles show relatively broad temperature maxima, for both the longitudinal and the average kinetic temperatures, just as does Mott-Smith model for strong shock waves in dilute three-dimensional gases. copyright 1997 The American Physical Society

Tuning spin transport across two-dimensional organometallic junctions

Science.gov (United States)

Liu, Shuanglong; Wang, Yun-Peng; Li, Xiangguo; Fry, James N.; Cheng, Hai-Ping

2018-01-01

We study via first-principles modeling and simulation two-dimensional spintronic junctions made of metal-organic frameworks consisting of two Mn-phthalocyanine ferromagnetic metal leads and semiconducting Ni-phthalocyanine channels of various lengths. These systems exhibit a large tunneling magnetoresistance ratio; the transmission functions of such junctions can be tuned using gate voltage by three orders of magnitude. We find that the origin of this drastic change lies in the orbital alignment and hybridization between the leads and the center electronic states. With physical insight into the observed on-off phenomenon, we predict a gate-controlled spin current switch based on two-dimensional crystallines and offer general guidelines for designing spin junctions using 2D materials.

CORPORATE VALUATION USING TWO-DIMENSIONAL MONTE CARLO SIMULATION

Directory of Open Access Journals (Sweden)

Toth Reka

2010-12-01

Full Text Available In this paper, we have presented a corporate valuation model. The model combine several valuation methods in order to get more accurate results. To determine the corporate asset value we have used the Gordon-like two-stage asset valuation model based on the calculation of the free cash flow to the firm. We have used the free cash flow to the firm to determine the corporate market value, which was calculated with use of the Black-Scholes option pricing model in frame of the two-dimensional Monte Carlo simulation method. The combined model and the use of the two-dimensional simulation model provides a better opportunity for the corporate value estimation.

Calcium phosphate cements with strontium halides as radiopacifiers.

Science.gov (United States)

López, Alejandro; Montazerolghaem, Maryam; Engqvist, Håkan; Ott, Marjam Karlsson; Persson, Cecilia

2014-02-01

High radiopacity is required to monitor the delivery and positioning of injectable implants. Inorganic nonsoluble radiopacifiers are typically used in nondegradable bone cements; however, their usefulness in resorbable cements is limited due to their low solubility. Strontium halides, except strontium fluoride, are ionic water-soluble compounds that possess potential as radiopacifiers. In this study, we compare the radiopacity, mechanical properties, composition, and cytotoxicity of radiopaque brushite cements prepared with strontium fluoride (SrF2 ), strontium chloride (SrCl2 ·6H2 O), strontium bromide (SrBr2 ), or strontium iodide (SrI2 ). Brushite cements containing 10 wt % SrCl2 ·6H2 O, SrBr2 , or SrI2 exhibited equal to or higher radiopacity than commercial radiopaque cements. Furthermore, the brushite crystal lattice in cements that contained the ionic radiopacifiers was larger than in unmodified cements and in cements that contained SrF2 , indicating strontium substitution. Despite the fact that the strontium halides increased the solubility of the cements and affected their mechanical properties, calcium phosphate cements containing SrCl2 ·6H2 O, SrBr2 , and SrI2 showed no significant differences in Saos-2 cell viability and proliferation with respect to the control. Strontium halides: SrCl2 ·6H2 O, SrBr2 , and SrI2 may be potential candidates as radiopacifiers in resorbable biomaterials although their in vivo biocompatibility, when incorporated into injectable implants, is yet to be assessed. Copyright © 2013 Wiley Periodicals, Inc.

Laser sheet dropsizing based on two-dimensional Raman and Mie scattering.

Science.gov (United States)

Malarski, Anna; Schürer, Benedikt; Schmitz, Ingo; Zigan, Lars; Flügel, Alexandre; Leipertz, Alfred

2009-04-01

The imaging and quantification of droplet sizes in sprays is a challenging task for optical scientists and engineers. Laser sheet dropsizing (LSDS) combines the two-dimensional information of two different optical processes, one that is proportional to the droplet volume and one that depends on the droplet surface, e.g., Mie scattering. Besides Mie scattering, here we use two-dimensional Raman scattering as the volume-dependent measurement technique. Two different calibration strategies are presented and discussed. Two-dimensional droplet size distributions in a spray have been validated in comparison with the results of point-resolved phase Doppler anemometry (PDA) measurements.

Laser sheet dropsizing based on two-dimensional Raman and Mie scattering

International Nuclear Information System (INIS)

Malarski, Anna; Schuerer, Benedikt; Schmitz, Ingo; Zigan, Lars; Fluegel, Alexandre; Leipertz, Alfred

2009-01-01

The imaging and quantification of droplet sizes in sprays is a challenging task for optical scientists and engineers. Laser sheet dropsizing (LSDS) combines the two-dimensional information of two different optical processes, one that is proportional to the droplet volume and one that depends on the droplet surface, e.g., Mie scattering. Besides Mie scattering, here we use two-dimensional Raman scattering as the volume-dependent measurement technique. Two different calibration strategies are presented and discussed. Two-dimensional droplet size distributions in a spray have been validated in comparison with the results of point-resolved phase Doppler anemometry (PDA) measurements

Sodium-metal halide and sodium-air batteries.

Science.gov (United States)

Ha, Seongmin; Kim, Jae-Kwang; Choi, Aram; Kim, Youngsik; Lee, Kyu Tae

2014-07-21

Impressive developments have been made in the past a few years toward the establishment of Na-ion batteries as next-generation energy-storage devices and replacements for Li-ion batteries. Na-based cells have attracted increasing attention owing to low production costs due to abundant sodium resources. However, applications of Na-ion batteries are limited to large-scale energy-storage systems because of their lower energy density compared to Li-ion batteries and their potential safety problems. Recently, Na-metal cells such as Na-metal halide and Na-air batteries have been considered to be promising for use in electric vehicles owing to good safety and high energy density, although less attention is focused on Na-metal cells than on Na-ion cells. This Minireview provides an overview of the fundamentals and recent progress in the fields of Na-metal halide and Na-air batteries, with the aim of providing a better understanding of new electrochemical systems. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Local polar fluctuations in lead halide perovskites

Science.gov (United States)

Tan, Liang; Yaffe, Omer; Guo, Yinsheng; Brus, Louis; Rappe, Andrew; Egger, David; Kronik, Leeor

The lead halide perovskites have recently attracted much attention because of their large and growing photovoltaic power conversion efficiencies. However, questions remain regarding the temporal and spatial correlations of the structural fluctuations, their atomistic nature, and how they affect electronic and photovoltaic properties. To address these questions, we have performed a combined ab initio molecular dynamics (MD) and density functional theory (DFT) study on CsPbBr3. We have observed prevalent anharmonic motion in our MD trajectories, with local polar fluctuations involving head-to-head motion of A-site Cs cations coupled with Br window opening. We calculate Raman spectra from the polarizability auto-correlation functions obtained from these trajectories and show that anharmonic A-site cation motion manifests as a broad central peak in the Raman spectrum, which increases in intensity with temperature. A comparison of the experimental Raman spectrum of hybrid organometallic MAPbBr3 and fully inorganic CsPbBr3 suggests that structural fluctuations in lead-halide perovskites is more general than rotation of polar organic cations and is intimately coupled to the inorganic framework.

The role of halide ions on the electrochemical behaviour of iron in alkali solutions

Science.gov (United States)

Begum, S. Nathira; Muralidharan, V. S.; Basha, C. Ahmed

2008-02-01

Active dissolution and passivation of transition metals in alkali solutions is of technological importance in batteries. The performance of alkaline batteries is decided by the presence of halides as they influence passivation. Cyclic voltammetric studies were carried out on iron in different sodium hydroxide solutions in presence of halides. In alkali solutions iron formed hydroxo complexes and their polymers in the interfacial diffusion layer. With progress of time they formed a cation selective layer. The diffusion layer turned into bipolar ion selective layer consisted of halides, a selective inner sublayer to the metal side and cation selective outer layer to the solution side. At very high anodic potentials, dehydration and deprotonation led to the conversion of salt layer into an oxide.

Abiotic Formation of Methyl Halides in the Terrestrial Environment

Science.gov (United States)

Keppler, F.

2011-12-01

Methyl chloride and methyl bromide are the most abundant chlorine and bromine containing organic compounds in the atmosphere. Since both compounds have relatively long tropospheric lifetimes they can effectively transport halogen atoms from the Earth's surface, where they are released, to the stratosphere and following photolytic oxidation form reactive halogen gases that lead to the chemical destruction of ozone. Methyl chloride and methyl bromide account for more than 20% of the ozone-depleting halogens delivered to the stratosphere and are predicted to grow in importance as the chlorine contribution to the stratosphere from anthropogenic CFCs decline. Today methyl chloride and methyl bromide originate mainly from natural sources with only a minor fraction considered to be of anthropogenic origin. However, until as recently as 2000 most of the methyl chloride and methyl bromide input to the atmosphere was considered to originate from the oceans, but investigations in recent years have clearly demonstrated that terrestrial sources such as biomass burning, wood-rotting fungi, coastal salt marshes, tropical vegetation and organic matter degradation must dominate the atmospheric budgets of these trace gases. However, many uncertainties still exist regarding strengths of both sources and sinks, as well as the mechanisms of formation of these naturally occurring halogenated gases. A better understanding of the atmospheric budget of both methyl chloride and methyl bromide is therefore required for reliable prediction of future ozone depletion. Biotic and abiotic methylation processes of chloride and bromide ion are considered to be the dominant pathways of formation of these methyl halides in nature. In this presentation I will focus on abiotic formation processes in the terrestrial environment and the potential parameters that control their emissions. Recent advances in our understanding of the abiotic formation pathway of methyl halides will be discussed. This will

The impact of alkali metal halide electron donor complexes in the photocatalytic degradation of pentachlorophenol

Energy Technology Data Exchange (ETDEWEB)

Khuzwayo, Z., E-mail: zack.khuzwayo@up.ac.za; Chirwa, E.M.N

2017-01-05

Highlights: • Facilitation of photocatalysis using simple metal-halides as VB hole scavengers. • Recombination prevention by coupled valence and conduction band approaches. • Determination of anions critical levels beyond which process retardation occurs. • Determination of the photocatalytic process rate of reaction kinetics. - Abstract: The performance of photocatalytic oxidation of chemical pollutants is subjected to the presence of anion complexes in natural waters. This study investigated the influence of alkali metal (Na{sup +} (sodium), K{sup +} (potassium)) halides (Cl{sup −} (chloride), Br{sup −} (bromide), F{sup −} (fluoride)) as inorganic ion sources in the photocatalytic degradation of pentachlorophenol (PCP) in batch systems. It was found that the exclusive presence of halides in the absence of an electron acceptor adequately facilitated the photocatalyst process below critical levels of anion populations, where beyond the critical point the process was significantly hindered. Below the determined critical point, the performance in some cases near matches that of the facilitation of the photocatalytic process by exclusive oxygen, acting as an electron scavenger. The coupling of halide ions and oxygenation presented significantly improved photo-oxidation of PCP, this was confirmed by the inclusion of formic acid as a comparative electron donor. The Langmuir-Hinshelwood kinetic expression was used to calculate the performance rate kinetics. The probable impact of the halide anions was discussed with regards to the process of electron hole pair recombination prevention.

Two dimensional solid state NMR

International Nuclear Information System (INIS)

Kentgens, A.P.M.

1987-01-01

This thesis illustrates, by discussing some existing and newly developed 2D solid state experiments, that two-dimensional NMR of solids is a useful and important extension of NMR techniques. Chapter 1 gives an overview of spin interactions and averaging techniques important in solid state NMR. As 2D NMR is already an established technique in solutions, only the basics of two dimensional NMR are presented in chapter 2, with an emphasis on the aspects important for solid spectra. The following chapters discuss the theoretical background and applications of specific 2D solid state experiments. An application of 2D-J resolved NMR, analogous to J-resolved spectroscopy in solutions, to natural rubber is given in chapter 3. In chapter 4 the anisotropic chemical shift is mapped out against the heteronuclear dipolar interaction to obtain information about the orientation of the shielding tensor in poly-(oxymethylene). Chapter 5 concentrates on the study of super-slow molecular motions in polymers using a variant of the 2D exchange experiment developed by us. Finally chapter 6 discusses a new experiment, 2D nutation NMR, which makes it possible to study the quadrupole interaction of half-integer spins. 230 refs.; 48 figs.; 8 tabs

Solution-Phase Synthesis of Cesium Lead Halide Perovskite Nanowires.

Science.gov (United States)

Zhang, Dandan; Eaton, Samuel W; Yu, Yi; Dou, Letian; Yang, Peidong

2015-07-29

Halide perovskites have attracted much attention over the past 5 years as a promising class of materials for optoelectronic applications. However, compared to hybrid organic-inorganic perovskites, the study of their pure inorganic counterparts, like cesium lead halides (CsPbX3), lags far behind. Here, a catalyst-free, solution-phase synthesis of CsPbX3 nanowires (NWs) is reported. These NWs are single-crystalline, with uniform growth direction, and crystallize in the orthorhombic phase. Both CsPbBr3 and CsPbI3 are photoluminescence active, with composition-dependent temperature and self-trapping behavior. These NWs with a well-defined morphology could serve as an ideal platform for the investigation of fundamental properties and the development of future applications in nanoscale optoelectronic devices based on all-inorganic perovskites.

Automated Processing of Two-Dimensional Correlation Spectra

Science.gov (United States)

Sengstschmid; Sterk; Freeman

1998-04-01

An automated scheme is described which locates the centers of cross peaks in two-dimensional correlation spectra, even under conditions of severe overlap. Double-quantum-filtered correlation (DQ-COSY) spectra have been investigated, but the method is also applicable to TOCSY and NOESY spectra. The search criterion is the intrinsic symmetry (or antisymmetry) of cross-peak multiplets. An initial global search provides the preliminary information to build up a two-dimensional "chemical shift grid." All genuine cross peaks must be centered at intersections of this grid, a fact that reduces the extent of the subsequent search program enormously. The program recognizes cross peaks by examining the symmetry of signals in a test zone centered at a grid intersection. This "symmetry filter" employs a "lowest value algorithm" to discriminate against overlapping responses from adjacent multiplets. A progressive multiplet subtraction scheme provides further suppression of overlap effects. The processed two-dimensional correlation spectrum represents cross peaks as points at the chemical shift coordinates, with some indication of their relative intensities. Alternatively, the information is presented in the form of a correlation table. The authenticity of a given cross peak is judged by a set of "confidence criteria" expressed as numerical parameters. Experimental results are presented for the 400-MHz double-quantum-filtered COSY spectrum of 4-androsten-3,17-dione, a case where there is severe overlap. Copyright 1998 Academic Press.

Inorganic hole conductor-based lead halide perovskite solar cells with 12.4% conversion efficiency

KAUST Repository

Qin, Peng

2014-05-12

Organo-lead halide perovskites have attracted much attention for solar cell applications due to their unique optical and electrical properties. With either low-temperature solution processing or vacuum evaporation, the overall conversion efficiencies of perovskite solar cells with organic hole-transporting material were quickly improved to over 15% during the last 2 years. However, the organic hole-transporting materials used are normally quite expensive due to complicated synthetic procedure or high-purity requirement. Here, we demonstrate the application of an effective and cheap inorganic p-type hole-transporting material, copper thiocyanate, on lead halide perovskite-based devices. With low-temperature solution-process deposition method, a power conversion efficiency of 12.4% was achieved under full sun illumination. This work represents a well-defined cell configuration with optimized perovskite morphology by two times of lead iodide deposition, and opens the door for integration of a class of abundant and inexpensive material for photovoltaic application. © 2014 Macmillan Publishers Limited.

Inorganic hole conductor-based lead halide perovskite solar cells with 12.4% conversion efficiency

KAUST Repository

Qin, Peng; Tanaka, Soichiro; Ito, Seigo; Tetreault, Nicolas; Manabe, Kyohei; Nishino, Hitoshi; Nazeeruddin, Mohammad Khaja; Grä tzel, Michael

2014-01-01

Organo-lead halide perovskites have attracted much attention for solar cell applications due to their unique optical and electrical properties. With either low-temperature solution processing or vacuum evaporation, the overall conversion efficiencies of perovskite solar cells with organic hole-transporting material were quickly improved to over 15% during the last 2 years. However, the organic hole-transporting materials used are normally quite expensive due to complicated synthetic procedure or high-purity requirement. Here, we demonstrate the application of an effective and cheap inorganic p-type hole-transporting material, copper thiocyanate, on lead halide perovskite-based devices. With low-temperature solution-process deposition method, a power conversion efficiency of 12.4% was achieved under full sun illumination. This work represents a well-defined cell configuration with optimized perovskite morphology by two times of lead iodide deposition, and opens the door for integration of a class of abundant and inexpensive material for photovoltaic application. © 2014 Macmillan Publishers Limited.

Effect of chromone-substituted benzothiazolium halides on photosynthetic processes

International Nuclear Information System (INIS)

Kralova, K.; Sersen, F.; Gasparova, R.; Lacova, M.

1998-01-01

The effects of 3-R 2 -2[2-(6-R 1 -chromone-3-yl)ethenyl]benzothiazolium halides (CBH) on photosynthetic electron transport in spinach chloroplasts and in the legal suspension of Chlorella vulgaris were investigated. Using EPR spectroscopy it was confirmed that these compounds containing in their molecules two heterocyclic skeletons, namely benzothiazole and chromone, interact with the intermediate D + , corresponding to the tyrosine radical Tyr D situated in D 2 protein on the donor side of photosystem 2. Consequently, higher concentrations of CBH inhibited oxygen evolution rate in Chlorella vulgaris and the inhibitory effectiveness depended on the lipophilicity of the of the compound. (authors)

Development of alkali halide-optics for high power-IR laser

International Nuclear Information System (INIS)

Pohl, L.

1989-01-01

In this work 'Development of Alkali Halide-Optics for High Power-IR Laser' we investigated the purification of sodiumchloride-, potassiumchloride- and potassiumbromide-raw materials. We succeeded to reduce the content of impurities like Cu, Pb, V, Cr, Mn, Fe, Co and Ni in these raw materials to the lower of ppb's by a Complex-Adsorption-Method (CAM). Crystals were grown from purified substances by 'Kyropoulos' method'. Windows were cur thereof, polished and measured by FTIR-spectroscopy. Analytical data showed, that the resulting crystals were of lower quality than the raw materials. Because of this fact crystal-growing-conditions have to undergo a special improvement. Alkali halide windows from other sources on the market had been tested. (orig.) [de

Sums of two-dimensional spectral triples

DEFF Research Database (Denmark)

Christensen, Erik; Ivan, Cristina

2007-01-01

construct a sum of two dimensional modules which reflects some aspects of the topological dimensions of the compact metric space, but this will only give the metric back approximately. At the end we make an explicit computation of the last module for the unit interval in. The metric is recovered exactly...

Pair Interaction of Dislocations in Two-Dimensional Crystals

Science.gov (United States)

Eisenmann, C.; Gasser, U.; Keim, P.; Maret, G.; von Grünberg, H. H.

2005-10-01

The pair interaction between crystal dislocations is systematically explored by analyzing particle trajectories of two-dimensional colloidal crystals measured by video microscopy. The resulting pair energies are compared to Monte Carlo data and to predictions derived from the standard Hamiltonian of the elastic theory of dislocations. Good agreement is found with respect to the distance and temperature dependence of the interaction potential, but not regarding the angle dependence where discrete lattice effects become important. Our results on the whole confirm that the dislocation Hamiltonian allows a quantitative understanding of the formation and interaction energies of dislocations in two-dimensional crystals.

Three-dimensional versus two-dimensional vision in laparoscopy

DEFF Research Database (Denmark)

Sørensen, Stine D; Savran, Mona Meral; Konge, Lars

2016-01-01

were cohort size and characteristics, skill trained or operation performed, instrument used, outcome measures, and conclusions. Two independent authors performed the search and data extraction. RESULTS: Three hundred and forty articles were screened for eligibility, and 31 RCTs were included...... through a two-dimensional (2D) projection on a monitor, which results in loss of depth perception. To counter this problem, 3D imaging for laparoscopy was developed. A systematic review of the literature was performed to assess the effect of 3D laparoscopy. METHODS: A systematic search of the literature...... in the review. Three trials were carried out in a clinical setting, and 28 trials used a simulated setting. Time was used as an outcome measure in all of the trials, and number of errors was used in 19 out of 31 trials. Twenty-two out of 31 trials (71 %) showed a reduction in performance time, and 12 out of 19...

Spectroscopic investigation of indium halides as substitudes of mercury in low pressure discharges for lighting applications

Energy Technology Data Exchange (ETDEWEB)

Briefi, Stefan

2012-05-22

Low pressure discharges with indium halides as radiator are discussed as substitutes for hazardous mercury in conventional fluorescent lamps. In this work, the applicability of InBr and InCl in a low pressure discharge light source is investigated. The aim is to identify and understand the physical processes which determine the discharge characteristics and the efficiency of the generated near-UV emission of the indium halide molecule and of the indium atom which is created due to dissociation processes in the plasma. As discharge vessels sealed cylindrical quartz glass tubes which contain a defined amount of indium halide and a rare gas are used. Preliminary investigations showed that for a controlled variation of the indium halide density a well-defined cold spot setup is mandatory. This was realized in the utilized experimental setup. The use of metal halides raises the issue, that power coupling by internal electrodes is not possible as the electrodes would quickly be eroded by the halides. The comparison of inductive and capacitive RF-coupling with external electrodes revealed that inductively coupled discharges provide higher light output and much better long term stability. Therefore, all investigations are carried out using inductive RF-coupling. The diagnostic methods optical emission and white light absorption spectroscopy are applied. As the effects of absorption-signal saturation and reabsorption of emitted radiation within the plasma volume could lead to an underestimation of the determined population densities by orders of magnitude, these effects are considered in the data evaluation. In order to determine the electron temperature and the electron density from spectroscopic measurements, an extended corona model as population model of the indium atom has been set up. A simulation of the molecular emission spectra has been implemented to investigate the rovibrational population processes of the indium halide molecules. The impact of the cold spot

Self-focusing instability of two-dimensional solitons and vortices

DEFF Research Database (Denmark)

Kuznetsov, E.A.; Juul Rasmussen, J.

1995-01-01

The instability of two-dimensional solitons and vortices is demonstrated in the framework of the three-dimensional nonlinear Schrodinger equation (NLSE). The instability can be regarded as the analog of the Kadomtsev-Petviashvili instability [B. B. Kadomtsev and V. I. Petviashvili, Sov. Phys. Dokl...

Thermomechanical measurements of lead halide single crystals

Czech Academy of Sciences Publication Activity Database

Nitsch, Karel; Rodová, Miroslava

2002-01-01

Roč. 234, č. 2 (2002), s. 701-709 ISSN 0370-1972 R&D Projects: GA AV ČR IAA2010926 Institutional research plan: CEZ:AV0Z1010914 Keywords : PbX 2 (X=Cl, Br, I) * coefficients of linear thermal expansion * polymorphism in lead halides Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 0.930, year: 2002

Dislocation unpinning model of acoustic emission from alkali halide ...

Indian Academy of Sciences (India)

The present paper reports the dislocation unpinning model of acoustic emis- sion (AE) from ... Acoustic emission; dislocation; alkali halide crystals; plastic deformation. ..... [5] T Nishimura, A Tahara and T Kolama, Jpn. Metal Inst. 64, 339 (2000).

Quasi-two-dimensional thermoelectricity in SnSe

Science.gov (United States)

Tayari, V.; Senkovskiy, B. V.; Rybkovskiy, D.; Ehlen, N.; Fedorov, A.; Chen, C.-Y.; Avila, J.; Asensio, M.; Perucchi, A.; di Pietro, P.; Yashina, L.; Fakih, I.; Hemsworth, N.; Petrescu, M.; Gervais, G.; Grüneis, A.; Szkopek, T.

2018-01-01

Stannous selenide is a layered semiconductor that is a polar analog of black phosphorus and of great interest as a thermoelectric material. Unusually, hole doped SnSe supports a large Seebeck coefficient at high conductivity, which has not been explained to date. Angle-resolved photoemission spectroscopy, optical reflection spectroscopy, and magnetotransport measurements reveal a multiple-valley valence-band structure and a quasi-two-dimensional dispersion, realizing a Hicks-Dresselhaus thermoelectric contributing to the high Seebeck coefficient at high carrier density. We further demonstrate that the hole accumulation layer in exfoliated SnSe transistors exhibits a field effect mobility of up to 250 cm2/V s at T =1.3 K . SnSe is thus found to be a high-quality quasi-two-dimensional semiconductor ideal for thermoelectric applications.

Acoustic phonon emission by two dimensional plasmons

International Nuclear Information System (INIS)

Mishonov, T.M.

1990-06-01

Acoustic wave emission of the two dimensional plasmons in a semiconductor or superconductor microstructure is investigated by using the phenomenological deformation potential within the jellium model. The plasmons are excited by the external electromagnetic (e.m.) field. The power conversion coefficient of e.m. energy into acoustic wave energy is also estimated. It is shown, the coherent transformation has a sharp resonance at the plasmon frequency of the two dimensional electron gas (2DEG). The incoherent transformation of the e.m. energy is generated by ohmic dissipation of 2DEG. The method proposed for coherent phonon beam generation can be very effective for high mobility 2DEG and for thin superconducting layers if the plasmon frequency ω is smaller than the superconducting gap 2Δ. (author). 21 refs, 1 fig

Two- and three-dimensional CT evaluation of sacral and pelvic anomalies

International Nuclear Information System (INIS)

Kuhlman, J.E.; Fishman, E.K.; Magid, D.

1988-01-01

Pelvic anomalies are difficult to evaluate with standard techniques. Detailed knowledge of the existing pelvic structures and musculature is essential for successful repair. The authors evaluated 12 patients with complex malformations of the pelvis using two- and three-dimensional imaging. The anomalies included bladder exstrophy (n = 4), cloacal exstrophy (n = 1), duplicated and absent sacrum (n = 3), myelomeningoceles (n = 2), and diastrophic dwarfism (n = 2). The two-dimensional images consisted of sequential coronal and sagittal reconstructions that could be reviewed dynamically on screen. Three-dimensional images were generated on the Pixar imaging computer with use of volumetric rendering. Two- and three-dimensional CT proved complementary in the evaluation of pelvic anomalies, providing optimal information from transaxial CT data

Two-dimensional Lorentz-Weyl anomaly and gravitational Chern-Simons theory

International Nuclear Information System (INIS)

Chamseddine, A.H.; Froehlich, J.

1992-01-01

Two-dimensional chiral fermions and bosons, more generally conformal blocks of two-dimensional conformal field theories, exhibit Weyl-, Lorentz- and mixed Lorentz-Weyl anomalies. A novel way of computing these anomalies for a system of chiral bosons of arbitrary conformal spin j is sketched. It is shown that the Lorentz- and mixed Lorentz-Weyl anomalies of these theories can be cancelled by the anomalies of a three-dimensional classical Chern-Simons action for the spin connection, expressed in terms of the dreibein field. Some tentative applications of this result to string theory are indicated. (orig.)

Alternative route to metal halide free ionic liquids

International Nuclear Information System (INIS)

Takao, Koichiro; Ikeda, Yasuhisa

2008-01-01

An alternative synthetic route to metal halide free ionic liquids using trialkyloxonium salt is proposed. Utility of this synthetic route has been demonstrated by preparing 1-ethyl-3-methylimidazolium tetrafluoroborate ionic liquid through the reaction between 1-methylimidazole and triethyloxonium tetra-fluoroborate in anhydrous ether. (author)

Bayesian approach for peak detection in two-dimensional chromatography

NARCIS (Netherlands)

Vivó-Truyols, G.

2012-01-01

A new method for peak detection in two-dimensional chromatography is presented. In a first step, the method starts with a conventional one-dimensional peak detection algorithm to detect modulated peaks. In a second step, a sophisticated algorithm is constructed to decide which of the individual

Two-dimensional CsPbBr3/PCBM heterojunctions for sensitive, fast and flexible photodetectors boosted by charge transfer

Science.gov (United States)

Shen, Yalong; Yu, Dejian; Wang, Xiong; Huo, Chengxue; Wu, Ye; Zhu, Zhengfeng; Zeng, Haibo

2018-02-01

Inorganic halide perovskites exhibited promising potentials for high-performance wide-band photodetectors (PDs) due to their high light absorption coefficients, long carrier diffusion length and wide light absorption ranges. Here, we report two-dimensional (2D) CsPbBr3/PCBM heterojunctions for sensitive, fast and flexible PDs, whose performances can be greatly boosted by the charge transfer through the energy-aligned interface. The 2D CsPbBr3 nanosheets with high crystallinity were fabricated via a simple solution-process at room temperature, and then assembled into flexible heterojunctions films with polymerphenyl-C61-butyric acid methyl ester (PCBM). Significantly, the efficient and fast charge transfer at the heterojunctions interface was evidenced by the obvious photoluminescence quenching and variation of recombination dynamics. Subsequently, such heterojunctions PD exhibited an enhanced responsivity of 10.85 A W-1 and an ultrahigh detectivity of 3.06 × 1013 Jones. In addition, the PD shows a broad linear dynamic range of 73 dB, a fast response speed with rise time of 44 μs and decay time of 390 μs, respectively. Moreover, the PD lying on polyethylene terephthalate substrates exhibited an outstanding mechanical flexibility and a robust electrical stability. These results could provide a new avenue for integration of 2D perovskites and organic functional materials and for high-performance flexible PDs.

Energy Spectra of Vortex Distributions in Two-Dimensional Quantum Turbulence

Directory of Open Access Journals (Sweden)

Ashton S. Bradley

2012-10-01

Full Text Available We theoretically explore key concepts of two-dimensional turbulence in a homogeneous compressible superfluid described by a dissipative two-dimensional Gross-Pitaeveskii equation. Such a fluid supports quantized vortices that have a size characterized by the healing length ξ. We show that, for the divergence-free portion of the superfluid velocity field, the kinetic-energy spectrum over wave number k may be decomposed into an ultraviolet regime (k≫ξ^{-1} having a universal k^{-3} scaling arising from the vortex core structure, and an infrared regime (k≪ξ^{-1} with a spectrum that arises purely from the configuration of the vortices. The Novikov power-law distribution of intervortex distances with exponent -1/3 for vortices of the same sign of circulation leads to an infrared kinetic-energy spectrum with a Kolmogorov k^{-5/3} power law, which is consistent with the existence of an inertial range. The presence of these k^{-3} and k^{-5/3} power laws, together with the constraint of continuity at the smallest configurational scale k≈ξ^{-1}, allows us to derive a new analytical expression for the Kolmogorov constant that we test against a numerical simulation of a forced homogeneous, compressible, two-dimensional superfluid. The numerical simulation corroborates our analysis of the spectral features of the kinetic-energy distribution, once we introduce the concept of a clustered fraction consisting of the fraction of vortices that have the same sign of circulation as their nearest neighboring vortices. Our analysis presents a new approach to understanding two-dimensional quantum turbulence and interpreting similarities and differences with classical two-dimensional turbulence, and suggests new methods to characterize vortex turbulence in two-dimensional quantum fluids via vortex position and circulation measurements.

Dynamics of vortex interactions in two-dimensional flows

DEFF Research Database (Denmark)

Juul Rasmussen, J.; Nielsen, A.H.; Naulin, V.

2002-01-01

The dynamics and interaction of like-signed vortex structures in two dimensional flows are investigated by means of direct numerical solutions of the two-dimensional Navier-Stokes equations. Two vortices with distributed vorticity merge when their distance relative to their radius, d/R-0l. is below...... a critical value, a(c). Using the Weiss-field, a(c) is estimated for vortex patches. Introducing an effective radius for vortices with distributed vorticity, we find that 3.3 ... is effectively producing small scale structures and the relation to the enstrophy "cascade" in developed 2D turbulence is discussed. The influence of finite viscosity on the merging is also investigated. Additionally, we examine vortex interactions on a finite domain, and discuss the results in connection...

Two-dimensional atom localization via Raman-driven coherence

Energy Technology Data Exchange (ETDEWEB)

Rahmatullah,; Qamar, Sajid, E-mail: sajid_qamar@comsats.edu.pk

2014-02-07

A scheme for two-dimensional (2D) atom localization via Raman-driven coherence in a four-level diamond-configuration system is suggested. The atom interacts with two orthogonal standing-wave fields where each standing-wave field is constructed from the superposition of the two-standing wave fields along the corresponding directions. Due to the position-dependent atom–field interaction, the frequency of the spontaneously emitted photon carries the position information about the atom. We investigate the effect of the detunings and phase shifts associated with standing-wave fields. Unique position information of the single atom is obtained by properly adjusting the system parameters. This is an extension of our previous proposal for one-dimensional atom localization via Raman-driven coherence.

The thermo-elastic instability model of melting of alkali halides in the Debye approximation

Science.gov (United States)

Owens, Frank J.

2018-05-01

The Debye model of lattice vibrations of alkali halides is used to show that there is a temperature below the melting temperature where the vibrational pressure exceeds the electrostatic pressure. The onset temperature of this thermo-elastic instability scales as the melting temperature of NaCl, KCl, and KBr, suggesting its role in the melting of the alkali halides in agreement with a previous more rigorous model.

Sensitive and selective colorimetric detection of cadmium(II) using gold nanoparticles modified with 4-amino-3-hydrazino-5-mercapto-1,2,4-triazole

International Nuclear Information System (INIS)

Wang, Ai-Jun; Feng, Jiu-Ju; Guo, Han; Zhang, Ming; Wang, Rui-Zhi; Zhou, Dan-Ling

2013-01-01

We have developed a simple, sensitive and selective colorimetric method for the detection of cadmium(II) (Cd 2+ ) using gold nanoparticles modified with 4-amino-3-hydrazino-5-mercapto-1,2,4-triazole. Organic solvents or additives are not required. It is found that Cd 2+ induces the aggregation of the modified Au-NPs via chelation, leading to a color change from red to blue. This change can be seen with bare eyes, and monitored by UV–vis spectroscopy, transmission electron microscopy and dynamic light scattering. The detection limit is 30 nM (at a signal-to-noise ratio of 3). The new approach was successfully applied to the detection of Cd 2+ in spiked samples of tap water and lake water, and the results agree well with those obtained by flame atomic absorption spectroscopy. (author)

Large polarons in lead halide perovskites

Science.gov (United States)

Miyata, Kiyoshi; Meggiolaro, Daniele; Trinh, M. Tuan; Joshi, Prakriti P.; Mosconi, Edoardo; Jones, Skyler C.; De Angelis, Filippo; Zhu, X.-Y.

2017-01-01

Lead halide perovskites show marked defect tolerance responsible for their excellent optoelectronic properties. These properties might be explained by the formation of large polarons, but how they are formed and whether organic cations are essential remain open questions. We provide a direct time domain view of large polaron formation in single-crystal lead bromide perovskites CH3NH3PbBr3 and CsPbBr3. We found that large polaron forms predominantly from the deformation of the PbBr3− frameworks, irrespective of the cation type. The difference lies in the polaron formation time, which, in CH3NH3PbBr3 (0.3 ps), is less than half of that in CsPbBr3 (0.7 ps). First-principles calculations confirm large polaron formation, identify the Pb-Br-Pb deformation modes as responsible, and explain quantitatively the rate difference between CH3NH3PbBr3 and CsPbBr3. The findings reveal the general advantage of the soft [PbX3]− sublattice in charge carrier protection and suggest that there is likely no mechanistic limitations in using all-inorganic or mixed-cation lead halide perovskites to overcome instability problems and to tune the balance between charge carrier protection and mobility. PMID:28819647

Efficient processing of two-dimensional arrays with C or C++

Science.gov (United States)

Donato, David I.

2017-07-20

Because fast and efficient serial processing of raster-graphic images and other two-dimensional arrays is a requirement in land-change modeling and other applications, the effects of 10 factors on the runtimes for processing two-dimensional arrays with C and C++ are evaluated in a comparative factorial study. This study’s factors include the choice among three C or C++ source-code techniques for array processing; the choice of Microsoft Windows 7 or a Linux operating system; the choice of 4-byte or 8-byte array elements and indexes; and the choice of 32-bit or 64-bit memory addressing. This study demonstrates how programmer choices can reduce runtimes by 75 percent or more, even after compiler optimizations. Ten points of practical advice for faster processing of two-dimensional arrays are offered to C and C++ programmers. Further study and the development of a C and C++ software test suite are recommended.Key words: array processing, C, C++, compiler, computational speed, land-change modeling, raster-graphic image, two-dimensional array, software efficiency

Nanostructure of propylammonium nitrate in the presence of poly(ethylene oxide) and halide salts

Science.gov (United States)

Stefanovic, Ryan; Webber, Grant B.; Page, Alister J.

2018-05-01

Nanoscale structure of protic ionic liquids is critical to their utility as molecular electrochemical solvents since it determines the capacity to dissolve salts and polymers such as poly(ethylene oxide) (PEO). Here we use quantum chemical molecular dynamics simulations to investigate the impact of dissolved halide anions on the nanostructure of an archetypal nanostructured protic ionic liquid, propylammonium nitrate (PAN), and how this impacts the solvation of a model PEO polymer. At the molecular level, PAN is nanostructured, consisting of charged/polar and uncharged/nonpolar domains. The charged domain consists of the cation/anion charge groups, and is formed by their electrostatic interaction. This domain solvophobically excludes the propyl chains on the cation, which form a distinct, self-assembled nonpolar domain within the liquid. Our simulations demonstrate that the addition of Cl- and Br- anions to PAN disrupts the structure within the PAN charged domain due to competition between nitrate and halide anions for the ammonium charge centre. This disruption increases with halide concentration (up to 10 mol. %). However, at these concentrations, halide addition has little effect on the structure of the PAN nonpolar domain. Addition of PEO to pure PAN also disrupts the structure within the charged domain of the liquid due to hydrogen bonding between the charge groups and the terminal PEO hydroxyl groups. There is little other association between the PEO structure and the surrounding ionic liquid solvent, with strong PEO self-interaction yielding a compact, coiled polymer morphology. Halide addition results in greater association between the ionic liquid charge centres and the ethylene oxide components of the PEO structure, resulting in reduced conformational flexibility, compared to that observed in pure PAN. Similarly, PEO self-interactions increase in the presence of Cl- and Br- anions, compared to PAN, indicating that the addition of halide salts to PAN

Resonant halide perovskite nanoparticles

Science.gov (United States)

Tiguntseva, Ekaterina Y.; Ishteev, Arthur R.; Komissarenko, Filipp E.; Zuev, Dmitry A.; Ushakova, Elena V.; Milichko, Valentin A.; Nesterov-Mueller, Alexander; Makarov, Sergey V.; Zakhidov, Anvar A.

2017-09-01

The hybrid halide perovskites is a prospective material for fabrication of cost-effective optical devices. Unique perovskites properties are used for solar cells and different photonic applications. Recently, perovskite-based nanophotonics has emerged. Here, we consider perovskite like a high-refractive index dielectric material, which can be considered to be a basis for nanoparticles fabrication with Mie resonances. As a result, we fabricate and study resonant perovskite nanoparticles with different sizes. We reveal, that spherical nanoparticles show enhanced photoluminescence signal. The achieved results lay a cornerstone in the field of novel types of organic-inorganic nanophotonics devices with optical properties improved by Mie resonances.

Dynamical class of a two-dimensional plasmonic Dirac system.

Science.gov (United States)

Silva, Érica de Mello

2015-10-01

A current goal in plasmonic science and technology is to figure out how to manage the relaxational dynamics of surface plasmons in graphene since its damping constitutes a hinder for the realization of graphene-based plasmonic devices. In this sense we believe it might be of interest to enlarge the knowledge on the dynamical class of two-dimensional plasmonic Dirac systems. According to the recurrence relations method, different systems are said to be dynamically equivalent if they have identical relaxation functions at all times, and such commonality may lead to deep connections between seemingly unrelated physical systems. We employ the recurrence relations approach to obtain relaxation and memory functions of density fluctuations and show that a two-dimensional plasmonic Dirac system at long wavelength and zero temperature belongs to the same dynamical class of standard two-dimensional electron gas and classical harmonic oscillator chain with an impurity mass.

A Cluster-Bethe lattice treatment for the F-center in alkali-halides

International Nuclear Information System (INIS)

Queiroz, S.L.A. de; Koiller, B.; Maffeo, B.; Brandi, H.S.

1977-01-01

The electronic structure of the F-center in alkali-halides with the NaCl structure has been studied using the Cluster-Bethe lattice method. The central cluster has been taken as constituted by the vacancy and the nearest- and second- neighbors to it, respectively, cations and anions. The optical transitions have been calculated and compared to experimental data on the location of the peak of the F-absorption band. The agreement obtained indicates that this method may be used to study properties of this defect in alkali halides [pt

Electrochemical specific adsorption of halides on Cu 111, 100, and 211: A Density Functional Theory study

International Nuclear Information System (INIS)

McCrum, Ian T.; Akhade, Sneha A.; Janik, Michael J.

2015-01-01

The specific adsorption of ions onto electrode surfaces can affect electrocatalytic reactions. Density functional theory is used to investigate the specific adsorption of aqueous F − , Cl − , Br − , and I − onto Cu (111), (100), and (211) surfaces. The adsorption is increasingly favorable in the order of F − < Cl − < Br − < I − . The adsorption has a weak dependence on the surface facet, with adsorption most favorable on Cu (100) and least favorable on Cu (111). Potential ranges where specific adsorption would be expected on each facet are reported. The thermodynamics of bulk copper halide (CuX, CuX 2 ) formation are also investigated as a function of potential. CuX formation occurs at potentials slightly more positive of halide specific adsorption and of copper oxidation in aqueous electrolytes. Specifically adsorbed halides and bulk CuX may be present during a variety of electrochemical reactions carried out over a Cu electrode in halide containing electrolyte solutions

Two-dimensional microstrip detector for neutrons

Energy Technology Data Exchange (ETDEWEB)

Oed, A [Institut Max von Laue - Paul Langevin (ILL), 38 - Grenoble (France)

1997-04-01

Because of their robust design, gas microstrip detectors, which were developed at ILL, can be assembled relatively quickly, provided the prefabricated components are available. At the beginning of 1996, orders were received for the construction of three two-dimensional neutron detectors. These detectors have been completed. The detectors are outlined below. (author). 2 refs.

Two-dimensional transport of tokamak plasmas

International Nuclear Information System (INIS)

Hirshman, S.P.; Jardin, S.C.

1979-01-01

A reduced set of two-fluid transport equations is obtained from the conservation equations describing the time evolution of the differential particle number, entropy, and magnetic fluxes in an axisymmetric toroidal plasma with nested magnetic surfaces. Expanding in the small ratio of perpendicular to parallel mobilities and thermal conductivities yields as solubility constraints one-dimensional equations for the surface-averaged thermodynamic variables and magnetic fluxes. Since Ohm's law E +u x B =R', where R' accounts for any nonideal effects, only determines the particle flow relative to the diffusing magnetic surfaces, it is necessary to solve a single two-dimensional generalized differential equation, (partial/partialt) delpsi. (delp - J x B) =0, to find the absolute velocity of a magnetic surface enclosing a fixed toroidal flux. This equation is linear but nonstandard in that it involves flux surface averages of the unknown velocity. Specification of R' and the cross-field ion and electron heat fluxes provides a closed system of equations. A time-dependent coordinate transformation is used to describe the diffusion of plasma quantities through magnetic surfaces of changing shape

Decoherence in two-dimensional quantum walks

International Nuclear Information System (INIS)

Oliveira, A. C.; Portugal, R.; Donangelo, R.

2006-01-01

We analyze the decoherence in quantum walks in two-dimensional lattices generated by broken-link-type noise. In this type of decoherence, the links of the lattice are randomly broken with some given constant probability. We obtain the evolution equation for a quantum walker moving on two-dimensional (2D) lattices subject to this noise, and we point out how to generalize for lattices in more dimensions. In the nonsymmetric case, when the probability of breaking links in one direction is different from the probability in the perpendicular direction, we have obtained a nontrivial result. If one fixes the link-breaking probability in one direction, and gradually increases the probability in the other direction from 0 to 1, the decoherence initially increases until it reaches a maximum value, and then it decreases. This means that, in some cases, one can increase the noise level and still obtain more coherence. Physically, this can be explained as a transition from a decoherent 2D walk to a coherent 1D walk

Two- and three-dimensional evaluation of the acetabulum in the pediatric patient

International Nuclear Information System (INIS)

Magid, D.; Fishman, E.K.; Sponseller, P.D.

1987-01-01

Complex anatomic structures such as the hip and acetabulum are best evaluated with the use of two- and three-dimensional reconstruction techniques and standard transaxial CT data. CT scans of children with various hip pathologies, including congenital hip dislocation, slipped capital femoral epiphyses, hip dysplasias, dwarfism, and acetabular fractures, were reviewed to determine the value of two- and three-dimensional imaging. The advantages of two-dimensional imaging techniques (sequential coronal/sagittal reconstruction) and three-dimensional valumetric imaging techniques (using real-time video display) are illustrated with specific examples

Equivalency of two-dimensional algebras

International Nuclear Information System (INIS)

Santos, Gildemar Carneiro dos; Pomponet Filho, Balbino Jose S.

2011-01-01

Full text: Let us consider a vector z = xi + yj over the field of real numbers, whose basis (i,j) satisfy a given algebra. Any property of this algebra will be reflected in any function of z, so we can state that the knowledge of the properties of an algebra leads to more general conclusions than the knowledge of the properties of a function. However structural properties of an algebra do not change when this algebra suffers a linear transformation, though the structural constants defining this algebra do change. We say that two algebras are equivalent to each other whenever they are related by a linear transformation. In this case, we have found that some relations between the structural constants are sufficient to recognize whether or not an algebra is equivalent to another. In spite that the basis transform linearly, the structural constants change like a third order tensor, but some combinations of these tensors result in a linear transformation, allowing to write the entries of the transformation matrix as function of the structural constants. Eventually, a systematic way to find the transformation matrix between these equivalent algebras is obtained. In this sense, we have performed the thorough classification of associative commutative two-dimensional algebras, and find that even non-division algebra may be helpful in solving non-linear dynamic systems. The Mandelbrot set was used to have a pictorial view of each algebra, since equivalent algebras result in the same pattern. Presently we have succeeded in classifying some non-associative two-dimensional algebras, a task more difficult than for associative one. (author)

Surface and zeta-potentials of silver halide single crystals: pH-dependence in comparison to particle systems

International Nuclear Information System (INIS)

Selmani, Atiða; Kallay, Nikola; Preočanin, Tajana; Lützenkirchen, Johannes

2014-01-01

We have carried out surface and zeta-potential measurements on AgCl and AgBr single crystals. As for particle systems we find that, surprisingly and previously unnoted, the zeta-potential exhibits pH-dependence, while the surface potential does not. A possible interpretation of these observations is the involvement of water ions in the interfacial equilibria and in particular, stronger affinity of the hydroxide ion compared to the proton. The pH-dependence of the zeta-potential can be suppressed at sufficiently high silver concentrations, which agrees with previous measurements in particle systems where no pH-dependence was found at high halide ion concentrations. The results suggest a subtle interplay between the surface potential determining the halide and silver ion concentrations, and the water ions. Whenever the charge due to the halide and silver ions is sufficiently high, the influence of the proton/hydroxide ion on the zeta-potential vanishes. This might be related to the water structuring at the relevant interfaces which should be strongly affected by the surface potential. Another interesting observation is accentuation of the assumed water ion effect on the zeta-potential at the flat single crystal surfaces compared to the corresponding silver halide colloids. Previous generic MD simulations have indeed predicted that hydroxide ion adsorption is accentuated on flat/rigid surfaces. A thermodynamic model for AgI single crystals was developed to describe the combined effects of iodide, silver and water ions, based on two independently previously published models for AgI (that only consider constituent and background electrolyte ions) and inert surfaces (that only consider water and background electrolyte ions). The combined model correctly predicts all the experimentally observed trends. (paper)

Single Crystals of Organolead Halide Perovskites: Growth, Characterization, and Applications

KAUST Repository

Peng, Wei

2017-01-01

Despite their outstanding charge transport characteristics, organolead halide perovskite single crystals grown by hitherto reported crystallization methods are not suitable for most optoelectronic devices due to their small aspect ratios

Comparison of two three-dimensional cephalometric analysis computer software.

Science.gov (United States)

Sawchuk, Dena; Alhadlaq, Adel; Alkhadra, Thamer; Carlyle, Terry D; Kusnoto, Budi; El-Bialy, Tarek

2014-10-01

Three-dimensional cephalometric analyses are getting more attraction in orthodontics. The aim of this study was to compare two softwares to evaluate three-dimensional cephalometric analyses of orthodontic treatment outcomes. Twenty cone beam computed tomography images were obtained using i-CAT(®) imaging system from patient's records as part of their regular orthodontic records. The images were analyzed using InVivoDental5.0 (Anatomage Inc.) and 3DCeph™ (University of Illinois at Chicago, Chicago, IL, USA) software. Before and after orthodontic treatments data were analyzed using t-test. Reliability test using interclass correlation coefficient was stronger for InVivoDental5.0 (0.83-0.98) compared with 3DCeph™ (0.51-0.90). Paired t-test comparison of the two softwares shows no statistical significant difference in the measurements made in the two softwares. InVivoDental5.0 measurements are more reproducible and user friendly when compared to 3DCeph™. No statistical difference between the two softwares in linear or angular measurements. 3DCeph™ is more time-consuming in performing three-dimensional analysis compared with InVivoDental5.0.

Chimera patterns in two-dimensional networks of coupled neurons

Science.gov (United States)

Schmidt, Alexander; Kasimatis, Theodoros; Hizanidis, Johanne; Provata, Astero; Hövel, Philipp

2017-03-01

We discuss synchronization patterns in networks of FitzHugh-Nagumo and leaky integrate-and-fire oscillators coupled in a two-dimensional toroidal geometry. A common feature between the two models is the presence of fast and slow dynamics, a typical characteristic of neurons. Earlier studies have demonstrated that both models when coupled nonlocally in one-dimensional ring networks produce chimera states for a large range of parameter values. In this study, we give evidence of a plethora of two-dimensional chimera patterns of various shapes, including spots, rings, stripes, and grids, observed in both models, as well as additional patterns found mainly in the FitzHugh-Nagumo system. Both systems exhibit multistability: For the same parameter values, different initial conditions give rise to different dynamical states. Transitions occur between various patterns when the parameters (coupling range, coupling strength, refractory period, and coupling phase) are varied. Many patterns observed in the two models follow similar rules. For example, the diameter of the rings grows linearly with the coupling radius.

Design of a rotational three-dimensional nonimaging device by a compensated two-dimensional design process.

Science.gov (United States)

Yang, Yi; Qian, Ke-Yuan; Luo, Yi

2006-07-20

A compensation process has been developed to design rotational three-dimensional (3D) nonimaging devices. By compensating the desired light distribution during a two-dimensional (2D) design process for an extended Lambertian source using a compensation coefficient, the meridian plane of a 3D device with good performance can be obtained. This method is suitable in many cases with fast calculation speed. Solutions to two kinds of optical design problems have been proposed, and the limitation of this compensated 2D design method is discussed.

Study on two-dimensional induced signal readout of MRPC

International Nuclear Information System (INIS)

Wu Yucheng; Yue Qian; Li Yuanjing; Ye Jin; Cheng Jianping; Wang Yi; Li Jin

2012-01-01

A kind of two-dimensional readout electrode structure for the induced signal readout of MRPC has been studied in both simulation and experiments. Several MRPC prototypes are produced and a series of test experiments have been done to compare with the result of simulation, in order to verify the simulation model. The experiment results are in good agreement with those of simulation. This method will be used to design the two-dimensional signal readout mode of MRPC in the future work.

Two-dimensional electronic femtosecond stimulated Raman spectroscopy

Directory of Open Access Journals (Sweden)

Ogilvie J.P.

2013-03-01

Full Text Available We report two-dimensional electronic spectroscopy with a femtosecond stimulated Raman scattering probe. The method reveals correlations between excitation energy and excited state vibrational structure following photoexcitation. We demonstrate the method in rhodamine 6G.

Stability of two-dimensional vorticity filaments

International Nuclear Information System (INIS)

Elhmaidi, D.; Provenzale, A.; Lili, T.; Babiano, A.

2004-01-01

We discuss the results of a numerical study on the stability of two-dimensional vorticity filaments around a circular vortex. We illustrate how the stability of the filaments depends on the balance between the strain associated with the far field of the vortex and the local vorticity of the filament, and we discuss an empirical criterion for filament stability

Correlations between entropy and volume of melting in halide salts

International Nuclear Information System (INIS)

Akdeniz, Z.; Tosi, M.P.

1991-09-01

Melting parameters and transport coefficients in the melt are collated for halides of monovalent, divalent and trivalent metals. A number of systems show a deficit of entropy of melting relative to the linear relationships between entropy change and relative volume change on melting that are found to be approximately obeyed by a majority of halides. These behaviours are discussed on the basis of structural and transport data. The deviating systems are classified into three main classes, namely (i) fast-ion conductors in the high-temperature crystal phase such as AgI, (ii) strongly structured network-like systems such as ZnCl 2 , and (iii) molecular systems melting into associated molecular liquids such as SbCl 3 . (author). 35 refs, 1 fig., 3 tabs

Influence of electrode, buffer gas and control gear on metal halide lamp performance

International Nuclear Information System (INIS)

Lamouri, A; Naruka, A; Sulcs, J; Varanasi, C V; Brumleve, T R

2005-01-01

In this paper the influence of electrode composition, buffer gas fill pressure and control gear on the performance of metal halide lamps is investigated. It is shown that pure tungsten electrodes improve lumen maintenance and reduce voltage rise over lamp life. An optimum buffer gas fill pressure condition is discovered which allows for reduced electrode erosion during lamp starting as well as under normal operating conditions. Use of electronic control gear is shown to improve the performance of metal halide lamps

Strain-engineered growth of two-dimensional materials.

Science.gov (United States)

Ahn, Geun Ho; Amani, Matin; Rasool, Haider; Lien, Der-Hsien; Mastandrea, James P; Ager Iii, Joel W; Dubey, Madan; Chrzan, Daryl C; Minor, Andrew M; Javey, Ali

2017-09-20

The application of strain to semiconductors allows for controlled modification of their band structure. This principle is employed for the manufacturing of devices ranging from high-performance transistors to solid-state lasers. Traditionally, strain is typically achieved via growth on lattice-mismatched substrates. For two-dimensional (2D) semiconductors, this is not feasible as they typically do not interact epitaxially with the substrate. Here, we demonstrate controlled strain engineering of 2D semiconductors during synthesis by utilizing the thermal coefficient of expansion mismatch between the substrate and semiconductor. Using WSe 2 as a model system, we demonstrate stable built-in strains ranging from 1% tensile to 0.2% compressive on substrates with different thermal coefficient of expansion. Consequently, we observe a dramatic modulation of the band structure, manifested by a strain-driven indirect-to-direct bandgap transition and brightening of the dark exciton in bilayer and monolayer WSe 2 , respectively. The growth method developed here should enable flexibility in design of more sophisticated devices based on 2D materials.Strain engineering is an essential tool for modifying local electronic properties in silicon-based electronics. Here, Ahn et al. demonstrate control of biaxial strain in two-dimensional materials based on the growth substrate, enabling more complex low-dimensional electronics.

Two-dimensional heat flow apparatus

Science.gov (United States)

McDougall, Patrick; Ayars, Eric

2014-06-01

We have created an apparatus to quantitatively measure two-dimensional heat flow in a metal plate using a grid of temperature sensors read by a microcontroller. Real-time temperature data are collected from the microcontroller by a computer for comparison with a computational model of the heat equation. The microcontroller-based sensor array allows previously unavailable levels of precision at very low cost, and the combination of measurement and modeling makes for an excellent apparatus for the advanced undergraduate laboratory course.

Two-Dimensional Extreme Learning Machine

Directory of Open Access Journals (Sweden)

Bo Jia

2015-01-01

(BP networks. However, like many other methods, ELM is originally proposed to handle vector pattern while nonvector patterns in real applications need to be explored, such as image data. We propose the two-dimensional extreme learning machine (2DELM based on the very natural idea to deal with matrix data directly. Unlike original ELM which handles vectors, 2DELM take the matrices as input features without vectorization. Empirical studies on several real image datasets show the efficiency and effectiveness of the algorithm.

Two-dimensional Semiconductor-Superconductor Hybrids

DEFF Research Database (Denmark)

Suominen, Henri Juhani

This thesis investigates hybrid two-dimensional semiconductor-superconductor (Sm-S) devices and presents a new material platform exhibiting intimate Sm-S coupling straight out of the box. Starting with the conventional approach, we investigate coupling superconductors to buried quantum well....... To overcome these issues we integrate the superconductor directly into the semiconducting material growth stack, depositing it in-situ in a molecular beam epitaxy system under high vacuum. We present a number of experiments on these hybrid heterostructures, demonstrating near unity interface transparency...

On the Boiling Points of the Alkyl Halides.

Science.gov (United States)

Correia, John

1988-01-01

Discusses the variety of explanations in organic chemistry textbooks of a physical property of organic compounds. Focuses on those concepts explaining attractive forces between molecules. Concludes that induction interactions play a major role in alkyl halides and other polar organic molecules and should be given wider exposure in chemistry texts.…

Two-Dimensional Tellurene as Excellent Thermoelectric Material

KAUST Repository

Sharma, Sitansh; Singh, Nirpendra; Schwingenschlö gl, Udo

2018-01-01

We study the thermoelectric properties of two-dimensional tellurene by first-principles calculations and semiclassical Boltzmann transport theory. The HSE06 hybrid functional results in a moderate direct band gap of 1.48 eV at the Γ point. A high

Laser bistatic two-dimensional scattering imaging simulation of lambert cone

Science.gov (United States)

Gong, Yanjun; Zhu, Chongyue; Wang, Mingjun; Gong, Lei

2015-11-01

This paper deals with the laser bistatic two-dimensional scattering imaging simulation of lambert cone. Two-dimensional imaging is called as planar imaging. It can reflect the shape of the target and material properties. Two-dimensional imaging has important significance for target recognition. The expression of bistatic laser scattering intensity of lambert cone is obtained based on laser radar eauqtion. The scattering intensity of a micro-element on the target could be obtained. The intensity is related to local angle of incidence, local angle of scattering and the infinitesimal area on the cone. According to the incident direction of laser, scattering direction and normal of infinitesimal area, the local incidence angle and scattering angle can be calculated. Through surface integration and the introduction of the rectangular function, we can get the intensity of imaging unit on the imaging surface, and then get Lambert cone bistatic laser two-dimensional scattering imaging simulation model. We analyze the effect of distinguishability, incident direction, observed direction and target size on the imaging. From the results, we can see that the scattering imaging simulation results of the lambert cone bistatic laser is correct.

Biosorption of lead(II) and cadmium(II) by protonated Sargassum glaucescens biomass in a continuous packed bed column

International Nuclear Information System (INIS)

Naddafi, Kazem; Nabizadeh, Ramin; Saeedi, Reza; Mahvi, Amir Hossein; Vaezi, Forough; Yaghmaeian, Kamyar; Ghasri, Azar; Nazmara, Shahrokh

2007-01-01

Biosorption of lead(II) and cadmium(II) from aqueous solutions by protonated Sargassum glaucescens biomass was studied in a continuous packed bed column. The selective uptake of Pb 2+ and Cd 2+ was investigated in a binary system with initial concentration of 1 mM for each metal ion. The selective uptake capacities of Pb 2+ and Cd 2+ at complete exhaustion point were obtained 1.18 and 0.22 mmol/g, respectively; therefore, the biosorbent showed much higher relative affinity for Pb 2+ than for Cd 2+ . The optimum range of empty bed contact time (EBCT) was identified as 5-10 min in the packed bed column. The efficiency of biosorbent regeneration by 0.1 M HCl was achieved about 60%, so that the maximum uptake capacity of Pb 2+ by the regenerated biomass was determined to be 0.75 mmol/g while the same value for the original biomass was 1.24 mmol/g. The Thomas model was found in a suitable fitness with the experimental data (R 2 > 0.90 and ε% + with the uptake of heavy metals; hence, ion exchange was confirmed to be one of the main biosorption mechanisms

Growth and physicochemical properties of organometallic (DL)-trithioureatartrato-O1,O2,O3-cadmium(II) single crystals

Science.gov (United States)

Sathyamoorthy, K.; Vinothkumar, P.; Irshad Ahamed, J.; Murali Manohar, P.; Priya, M.; Liu, Jinghe

2018-04-01

Single crystals of organometallic (DL)-trithioureatartrato-O1,O2,O3-cadmium(II) (TUDLC) have been grown from methanol solution by using the slow evaporation of solvent growth technique. The lattice structure and crystalline perfection have been determined by carrying out single crystal X-ray diffraction and high resolution X-ray diffraction measurements. The grown crystal was characterized thermally and mechanically by carrying out thermo-gravimetric and micro hardness measurements. The linear and nonlinear optical characterizations were made by carrying out optical transmittance, surface laser damage threshold, particle size-dependent second harmonic generation (SHG) efficiency and photo conductivity measurements. The grown crystal was electrically characterized by carrying out frequency-dependent dielectric measurements. Chemical etching study was also carried out and the dislocation density was estimated. Results obtained in the present study indicate that the grown TUDLC crystal is optically transparent with lower cut-off wavelength 304 nm, mechanically soft, thermally stable up to 101 °C and NLO active with SHG efficiency 2.13 (in KDP unit). The grown crystal is found to have considerably large size, good crystalline perfection, large specific heat capacity, higher surface laser damage threshold and negative photoconductivity.

Bayesian approach for peak detection in two-dimensional chromatography.

Science.gov (United States)

Vivó-Truyols, Gabriel

2012-03-20

A new method for peak detection in two-dimensional chromatography is presented. In a first step, the method starts with a conventional one-dimensional peak detection algorithm to detect modulated peaks. In a second step, a sophisticated algorithm is constructed to decide which of the individual one-dimensional peaks have been originated from the same compound and should then be arranged in a two-dimensional peak. The merging algorithm is based on Bayesian inference. The user sets prior information about certain parameters (e.g., second-dimension retention time variability, first-dimension band broadening, chromatographic noise). On the basis of these priors, the algorithm calculates the probability of myriads of peak arrangements (i.e., ways of merging one-dimensional peaks), finding which of them holds the highest value. Uncertainty in each parameter can be accounted by adapting conveniently its probability distribution function, which in turn may change the final decision of the most probable peak arrangement. It has been demonstrated that the Bayesian approach presented in this paper follows the chromatographers' intuition. The algorithm has been applied and tested with LC × LC and GC × GC data and takes around 1 min to process chromatograms with several thousands of peaks.

Binuclear trivalent and tetravalent uranium halides and cyanides supported by cyclooctatetraene ligands

International Nuclear Information System (INIS)

Wang, Cong-Zhi; Wu, Qun-Yan; Lan, Jian-Hui; Shi, Wei-Qun; Gibson, John K.

2017-01-01

Although the first organoactinide chloride Cp_3UCl (Cp = η"5-C_5H_5) was synthesized more than 50 years ago, binuclear uranium halides remain very rare in organoactinide chemistry. Herein, a series of binuclear trivalent and tetravalent uranium halides and cyanides with cyclooctatetraene ligands, (COT)_2U_2X_n (COT = η"8-C_8H_8; X=F, Cl, CN; n=2, 4), have been systematically studied using scalar-relativistic density functional theory (DFT). The structures with bridging halide or cyanide ligands were predicted to be the most stable complexes of (COT)_2U_2X_n, and all the complexes show weak antiferromagnetic interactions between the uranium centers. However, for each species, there is no significant uranium-uranium bonding interaction. The bonding between the metal and the ligands shows some degree of covalent character, especially between the metal and terminal halide or cyanide ligands. The U-5f and 6d orbitals are predominantly involved in the metal-ligand bonding. All the (COT)_2U_2X_n species were predicted to be more stable compared to the mononuclear half-sandwich complexes at room temperature in the gas phase such that (COT)_2U_2X_4 might be accessible through the known (COT)_2U complex. The tetravalent derivatives (COT)_2U_2X_4 are more energetically favorable than the trivalent (COT)_2U_2X_2 analogs, which may be attributed to the greater number of strong metal-ligand bonds in the former complexes.

Physicochemical properties of mixed phosphorus halides

International Nuclear Information System (INIS)

Sladkov, I.B.; Tugarinova, N.S.

1996-01-01

Certain physicochemical properties (thermodynamic characteristics at boiling point, critical constants, density of liquid on the saturation line) of mixed phosphorus halides (PI 3 , PI 2 F, PIF 2 , PI 2 Cl, PICl 2 , PI 1 Br, PIBr 2 , PIClF, PIBrCl, etc.) are determined by means of approximate methods. Reliability of the results obtained is confirmed by comparison of calculated and experimental data for phosphorus compounds of the same type. 7 refs., 3 figs., 4 tabs

Linkage analysis by two-dimensional DNA typing

NARCIS (Netherlands)

te Meerman, G J; Mullaart, E; Meulen ,van der Martin; den Daas, J H; Morolli, B; Uitterlinden, A G; Vijg, J

1993-01-01

In two-dimensional (2-D) DNA typing, genomic DNA fragments are separated, first according to size by electrophoresis in a neutral polyacrylamide gel and second according to sequence by denaturing gradient gel electrophoresis, followed by hybridization analysis using micro- and minisatellite core

Device for measuring the two-dimensional distribution of a radioactive substance on a surface

International Nuclear Information System (INIS)

Anon.

1986-01-01

A device is described by which, using a one-dimensional measuring proportional counter tube depending on position, one can measure the two-dimensionally distributed radioactivity of a surface and can plot this to scale two-dimensionally, after computer processing, or can show it two-dimensionally on a monitor. (orig.) [de

Two-dimensional PCA-based human gait identification

Science.gov (United States)

Chen, Jinyan; Wu, Rongteng

2012-11-01

It is very necessary to recognize person through visual surveillance automatically for public security reason. Human gait based identification focus on recognizing human by his walking video automatically using computer vision and image processing approaches. As a potential biometric measure, human gait identification has attracted more and more researchers. Current human gait identification methods can be divided into two categories: model-based methods and motion-based methods. In this paper a two-Dimensional Principal Component Analysis and temporal-space analysis based human gait identification method is proposed. Using background estimation and image subtraction we can get a binary images sequence from the surveillance video. By comparing the difference of two adjacent images in the gait images sequence, we can get a difference binary images sequence. Every binary difference image indicates the body moving mode during a person walking. We use the following steps to extract the temporal-space features from the difference binary images sequence: Projecting one difference image to Y axis or X axis we can get two vectors. Project every difference image in the difference binary images sequence to Y axis or X axis difference binary images sequence we can get two matrixes. These two matrixes indicate the styles of one walking. Then Two-Dimensional Principal Component Analysis(2DPCA) is used to transform these two matrixes to two vectors while at the same time keep the maximum separability. Finally the similarity of two human gait images is calculated by the Euclidean distance of the two vectors. The performance of our methods is illustrated using the CASIA Gait Database.

A two-dimensional lattice equation as an extension of the Heideman-Hogan recurrence

Science.gov (United States)

Kamiya, Ryo; Kanki, Masataka; Mase, Takafumi; Tokihiro, Tetsuji

2018-03-01

We consider a two dimensional extension of the so-called linearizable mappings. In particular, we start from the Heideman-Hogan recurrence, which is known as one of the linearizable Somos-like recurrences, and introduce one of its two dimensional extensions. The two dimensional lattice equation we present is linearizable in both directions, and has the Laurent and the coprimeness properties. Moreover, its reduction produces a generalized family of the Heideman-Hogan recurrence. Higher order examples of two dimensional linearizable lattice equations related to the Dana Scott recurrence are also discussed.

Two-dimensional QCD as a model for strong interaction

International Nuclear Information System (INIS)

Ellis, J.

1977-01-01

After an introduction to the formalism of two-dimensional QCD, its applications to various strong interaction processes are reviewed. Among the topics discussed are spectroscopy, deep inelastic cross-sections, ''hard'' processes involving hadrons, ''Regge'' behaviour, the existence of the Pomeron, and inclusive hadron cross-sections. Attempts are made to abstracts features useful for four-dimensional QCD phenomenology. (author)

Two-dimensional nuclear magnetic resonance of quadrupolar systems

Energy Technology Data Exchange (ETDEWEB)

Wang, Shuanhu [Univ. of California, Berkeley, CA (United States)

1997-09-01

This dissertation describes two-dimensional nuclear magnetic resonance theory and experiments which have been developed to study quadruples in the solid state. The technique of multiple-quantum magic-angle spinning (MQMAS) is extensively reviewed and expanded upon in this thesis. Specifically, MQMAS is first compared with another technique, dynamic-angle spinning (DAS). The similarity between the two techniques allows us to extend much of the DAS work to the MQMAS case. Application of MQMAS to a series of aluminum containing materials is then presented. The superior resolution enhancement through MQMAS is exploited to detect the five- and six-coordinated aluminum in many aluminosilicate glasses. Combining the MQMAS method with other experiments, such as HETCOR, greatly expands the possibility of the use of MQMAS to study a large range of problems and is demonstrated in Chapter 5. Finally, the technique switching-angle spinning (SAS) is applied to quadrupolar nuclei to fully characterize a quadrupolar spin system in which all of the 8 NMR parameters are accurately determined. This dissertation is meant to demonstrate that with the combination of two-dimensional NMR concepts and new advanced spinning technologies, a series of multiple-dimensional NMR techniques can be designed to allow a detailed study of quadrupolar nuclei in the solid state.

Two dimensional infinite conformal symmetry

International Nuclear Information System (INIS)

Mohanta, N.N.; Tripathy, K.C.

1993-01-01

The invariant discontinuous (discrete) conformal transformation groups, namely the Kleinian and Fuchsian groups Gamma (with an arbitrary signature) of H (the Poincare upper half-plane l) and the unit disc Delta are explicitly constructed from the fundamental domain D. The Riemann surface with signatures of Gamma and conformally invariant automorphic forms (functions) with Peterson scalar product are discussed. The functor, where the category of complex Hilbert spaces spanned by the space of cusp forms constitutes the two dimensional conformal field theory. (Author) 7 refs

Stabilizing local boundary conditions for two-dimensional shallow water equations

KAUST Repository

Dia, Ben Mansour; Oppelstrup, Jesper

2018-01-01

In this article, we present a sub-critical two-dimensional shallow water flow regulation. From the energy estimate of a set of one-dimensional boundary stabilization problems, we obtain a set of polynomial equations with respect to the boundary

Logarithmic Superdiffusion in Two Dimensional Driven Lattice Gases

Science.gov (United States)

Krug, J.; Neiss, R. A.; Schadschneider, A.; Schmidt, J.

2018-03-01

The spreading of density fluctuations in two-dimensional driven diffusive systems is marginally anomalous. Mode coupling theory predicts that the diffusivity in the direction of the drive diverges with time as (ln t)^{2/3} with a prefactor depending on the macroscopic current-density relation and the diffusion tensor of the fluctuating hydrodynamic field equation. Here we present the first numerical verification of this behavior for a particular version of the two-dimensional asymmetric exclusion process. Particles jump strictly asymmetrically along one of the lattice directions and symmetrically along the other, and an anisotropy parameter p governs the ratio between the two rates. Using a novel massively parallel coupling algorithm that strongly reduces the fluctuations in the numerical estimate of the two-point correlation function, we are able to accurately determine the exponent of the logarithmic correction. In addition, the variation of the prefactor with p provides a stringent test of mode coupling theory.

Waterlike anomalies in a two-dimensional core-softened potential

Science.gov (United States)

Bordin, José Rafael; Barbosa, Marcia C.

2018-02-01

We investigate the structural, thermodynamic, and dynamic behavior of a two-dimensional (2D) core-corona system using Langevin dynamics simulations. The particles are modeled by employing a core-softened potential which exhibits waterlike anomalies in three dimensions. In previous studies in a quasi-2D system a new region in the pressure versus temperature phase diagram of structural anomalies was observed. Here we show that for the two-dimensional case two regions in the pressure versus temperature phase diagram with structural, density, and diffusion anomalies are observed. Our findings indicate that, while the anomalous region at lower densities is due the competition between the two length scales in the potential at higher densities, the anomalous region is related to the reentrance of the melting line.

On the confinement of a Dirac particle to a two-dimensional ring

International Nuclear Information System (INIS)

Bakke, K.; Furtado, C.

2012-01-01

In this contribution, we propose a new model for studying the confinement of a spin-half particle to a two-dimensional quantum ring for systems described by the Dirac equation by introducing a new coupling into the Dirac equation. We show that the introduction of this new coupling into the Dirac equation yields a generalization of the two-dimensional quantum ring model proposed by Tan and Inkson [W.-C. Tan, J.C. Inkson, Semicond. Sci. Technol. 11 (1996) 1635] for relativistic spin-half quantum particles. -- Highlights: ► Two-dimensional ring model for condensed matter systems described by the Dirac equation. ► Exact solutions of the Dirac equation. ► Persistent currents for Dirac-like systems confined to a two-dimensional quantum ring.

Chemical Origin of the Stability Difference between Copper(I)- and Silver(I)-Based Halide Double Perovskites.

Science.gov (United States)

Xiao, Zewen; Du, Ke-Zhao; Meng, Weiwei; Mitzi, David B; Yan, Yanfa

2017-09-25

Recently, Cu I - and Ag I -based halide double perovskites have been proposed as promising candidates for overcoming the toxicity and instability issues inherent within the emerging Pb-based halide perovskite absorbers. However, up to date, only Ag I -based halide double perovskites have been experimentally synthesized; there are no reports on successful synthesis of Cu I -based analogues. Here we show that, owing to the much higher energy level for the Cu 3d 10 orbitals than for the Ag 4d 10 orbitals, Cu I atoms energetically favor 4-fold coordination, forming [CuX 4 ] tetrahedra (X=halogen), but not 6-fold coordination as required for [CuX 6 ] octahedra. In contrast, Ag I atoms can have both 6- and 4-fold coordinations. Our density functional theory calculations reveal that the synthesis of Cu I halide double perovskites may instead lead to non-perovskites containing [CuX 4 ] tetrahedra, as confirmed by our material synthesis efforts. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Mode selection in two-dimensional Bragg resonators based on planar dielectric waveguides

International Nuclear Information System (INIS)

Baryshev, V R; Ginzburg, N S; Zaslavskii, V Yu; Malkin, A M; Sergeev, A S; Thumm, M

2009-01-01

Two-dimensional Bragg resonators based on planar dielectric waveguides are analysed. It is shown that the doubly periodic corrugation deposited on the dielectric surface in the form of two gratings with translational vectors directed perpendicular to each other ensures effective selection of modes along two coordinates at large Fresnel parameters. This result is obtained both by the method of coupled waves (geometrical optics approximation) and by the direct numerical simulations. Two-dimensional Bragg resonators make it possible to fabricate two-dimensional distributed feedback lasers and to provide generation of spatially coherent radiation in large-volume active media. (waveguides)

Photovoltaic Rudorffites: Lead-Free Silver Bismuth Halides Alternative to Hybrid Lead Halide Perovskites.

Science.gov (United States)

Turkevych, Ivan; Kazaoui, Said; Ito, Eisuke; Urano, Toshiyuki; Yamada, Koji; Tomiyasu, Hiroshi; Yamagishi, Hideo; Kondo, Michio; Aramaki, Shinji

2017-10-09

Hybrid CPbX 3 (C: Cs, CH 3 NH 3 ; X: Br, I) perovskites possess excellent photovoltaic properties but are highly toxic, which hinders their practical application. Unfortunately, all Pb-free alternatives based on Sn and Ge are extremely unstable. Although stable and non-toxic C 2 ABX 6 double perovskites based on alternating corner-shared AX 6 and BX 6 octahedra (A=Ag, Cu; B=Bi, Sb) are possible, they have indirect and wide band gaps of over 2 eV. However, is it necessary to keep the corner-shared perovskite structure to retain good photovoltaic properties? Here, we demonstrate another family of photovoltaic halides based on edge-shared AX 6 and BX 6 octahedra with the general formula A a B b X x (x=a+3 b) such as Ag 3 BiI 6 , Ag 2 BiI 5 , AgBiI 4 , AgBi 2 I 7 . As perovskites were named after their prototype oxide CaTiO 3 discovered by Lev Perovski, we propose to name these new ABX halides as rudorffites after Walter Rüdorff, who discovered their prototype oxide NaVO 2 . We studied structural and optoelectronic properties of several highly stable and promising Ag-Bi-I photovoltaic rudorffites that feature direct band gaps in the range of 1.79-1.83 eV and demonstrated a proof-of-concept FTO/c-m-TiO 2 /Ag 3 BiI 6 /PTAA/Au (FTO: fluorine-doped tin oxide, PTAA: poly[bis(4-phenyl)(2,4,6-trimethylphenyl)amine], c: compact, m: mesoporous) solar cell with photoconversion efficiency of 4.3 %. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Theories to support method development in comprehensive two-dimensional liquid chromatography - A review

NARCIS (Netherlands)

Bedani, F.; Schoenmakers, P.J.; Janssen, H.-G.

2012-01-01

On-line comprehensive two-dimensional liquid chromatography techniques promise to resolve samples that current one-dimensional liquid chromatography methods cannot adequately deal with. To make full use of the potential of two-dimensional liquid chromatography, optimization is required. Optimization

Quantitative optical mapping of two-dimensional materials

DEFF Research Database (Denmark)

Jessen, Bjarke S.; Whelan, Patrick R.; Mackenzie, David M. A.

2018-01-01

The pace of two-dimensional materials (2DM) research has been greatly accelerated by the ability to identify exfoliated thicknesses down to a monolayer from their optical contrast. Since this process requires time-consuming and error-prone manual assignment to avoid false-positives from image...

Analysis of Two-Dimensional Electrophoresis Gel Images

DEFF Research Database (Denmark)

Pedersen, Lars

2002-01-01

This thesis describes and proposes solutions to some of the currently most important problems in pattern recognition and image analysis of two-dimensional gel electrophoresis (2DGE) images. 2DGE is the leading technique to separate individual proteins in biological samples with many biological...

Energy transfer and infrared-to-visible upconversion luminescence of Er3+/Yb3+-codoped halide modified tellurite glasses

International Nuclear Information System (INIS)

Zhang, Q.Y.; Feng, Z.M.; Yang, Z.M.; Jiang, Z.H.

2006-01-01

We report on the energy transfer and frequency upconversion spectroscopic properties of Er 3+ -doped and Er 3+ /Yb 3+ -codoped TeO 2 -ZnO-Na 2 O-PbCl 2 halide modified tellurite glasses upon excitation with 808 and 978 nm laser diode. Three intense emissions centered at around 529, 546 and 657 nm, alongwith a very weak blue emission at 410 nm have clearly been observed for the Er 3+ /Yb 3+ -codoped halide modified tellurite glasses upon excitation at 978 nm and the involved mechanisms are explained. The quadratic dependence of fluorescence on excitation laser power confirms the fact that the two-photon contribute to the infrared to green-red upconversion emissions. And the blue upconversion at 410 nm involved a sequential three-photon absorption process

M-center growth in alkali halides: computer simulation

International Nuclear Information System (INIS)

Aguilar, M.; Jaque, F.; Agullo-Lopez, F.

1983-01-01

The heterogeneous interstitial nucleation model previously proposed to explain F-center growth curves in irradiated alkali halides has been extended to account for M-center kinetics. The interstitials produced during the primary irradiation event are assumed to be trapped at impurities and interstitial clusters or recombine with F and M centers. For M-center formation two cases have been considered: (a) diffusion and aggregation of F centers, and (b) statistical generation and pairing of F centers. Process (b) is the only one consistent with the quadratic relationship between M and F center concentrations. However, to account for the F/M ratios experimentally observed as well as for the role of dose-rate, a modified statistical model involving random creation and association of F + -F pairs has been shown to be adequate. (author)

Strong Carrier-Phonon Coupling in Lead Halide Perovskite Nanocrystals

NARCIS (Netherlands)

Iaru, Claudiu M; Geuchies, Jaco J|info:eu-repo/dai/nl/370526090; Koenraad, Paul M; Vanmaekelbergh, Daniël|info:eu-repo/dai/nl/304829137; Silov, Andrei Yu

2017-01-01

We highlight the importance of carrier-phonon coupling in inorganic lead halide perovskite nanocrystals. The low-temperature photoluminescence (PL) spectrum of CsPbBr3 has been investigated under a nonresonant and a nonstandard, quasi-resonant excitation scheme, and phonon replicas of the main PL

Comparative study of energy-efficiency and conservation systems for ceramic metal-halide discharge lamps

International Nuclear Information System (INIS)

Hermoso Orzáez, Manuel Jesús; Andrés Díaz, José Ramón de

2013-01-01

Interest in energy savings in urban lighting is gaining traction and has become a priority for municipal administrations. LED (light-emitting diode) technology appears to be the clear future lighting choice. However, this technology is still rapidly developing and has not been sufficiently tested. As an intermediate step, alternative proposals for energy-saving equipment for traditional discharge lamps are desirable so that the current technologies can coexist with the new LED counterparts for the short and medium term. This article provides a comparative study between two efficiency and energy-saving systems for discharge lamps with metal-halide and ceramic technologies, i.e., a lighting flow dimmer-stabilizer and a double-level electronic ballast. - Highlights: ► It has been demonstrated the possibility of regulating ceramic metal-halide lamps with lighting flow dimmer-stabilizer. ► Electronic ballasts can save approximately double quantity of energy than lighting flow dimmer-stabilizers. ► The use of lighting flow dimmer-stabilizer is more profitable than electronic ballasts due to costs and reliability

Self-trapped holes in alkali silver halide crystals

International Nuclear Information System (INIS)

Awano, T.; Ikezawa, M.; Matsuyama, T.

1995-01-01

γ-Ray irradiation at 77 K induces defects in M 2 AgX 3 (M=Rb, K and NH 4 ; X=Br and I) crystals. The irradiation induces self-trapped holes of the form of I 0 in the case of alkali silver iodides, and (halogen) 2 - and (halogen) 0 in the case of ammonium silver halides. The (halogen) 0 is weakly coupled with the nearest alkali metal ion or ammonium ion. It is able to be denoted as RbI + , KI + , NH 4 I + or NH 4 Br + . The directions of hole distribution of (halogen) 2 - and (halogen) 0 were different in each case of the alkali silver iodides, ammonium silver halides and mixed crystal of them. The (halogen) 0 decayed at 160 K in annealing process. The (halogen) 2 - was converted into another form of (halogen) 2 - at 250 K and this decayed at 310 K. A formation of metallic layers was observed on the crystal surface parallel with the c-plane of (NH 4 ) 2 AgI 3 irradiated at room temperature. (author)

Experimental two-dimensional quantum walk on a photonic chip.

Science.gov (United States)

Tang, Hao; Lin, Xiao-Feng; Feng, Zhen; Chen, Jing-Yuan; Gao, Jun; Sun, Ke; Wang, Chao-Yue; Lai, Peng-Cheng; Xu, Xiao-Yun; Wang, Yao; Qiao, Lu-Feng; Yang, Ai-Lin; Jin, Xian-Min

2018-05-01

Quantum walks, in virtue of the coherent superposition and quantum interference, have exponential superiority over their classical counterpart in applications of quantum searching and quantum simulation. The quantum-enhanced power is highly related to the state space of quantum walks, which can be expanded by enlarging the photon number and/or the dimensions of the evolution network, but the former is considerably challenging due to probabilistic generation of single photons and multiplicative loss. We demonstrate a two-dimensional continuous-time quantum walk by using the external geometry of photonic waveguide arrays, rather than the inner degree of freedoms of photons. Using femtosecond laser direct writing, we construct a large-scale three-dimensional structure that forms a two-dimensional lattice with up to 49 × 49 nodes on a photonic chip. We demonstrate spatial two-dimensional quantum walks using heralded single photons and single photon-level imaging. We analyze the quantum transport properties via observing the ballistic evolution pattern and the variance profile, which agree well with simulation results. We further reveal the transient nature that is the unique feature for quantum walks of beyond one dimension. An architecture that allows a quantum walk to freely evolve in all directions and at a large scale, combining with defect and disorder control, may bring up powerful and versatile quantum walk machines for classically intractable problems.

Large polarons in lead halide perovskites

OpenAIRE

Miyata, Kiyoshi; Meggiolaro, Daniele; Trinh, M. Tuan; Joshi, Prakriti P.; Mosconi, Edoardo; Jones, Skyler C.; De Angelis, Filippo; Zhu, X.-Y.

2017-01-01

Lead halide perovskites show marked defect tolerance responsible for their excellent optoelectronic properties. These properties might be explained by the formation of large polarons, but how they are formed and whether organic cations are essential remain open questions. We provide a direct time domain view of large polaron formation in single-crystal lead bromide perovskites CH3NH3PbBr3 and CsPbBr3. We found that large polaron forms predominantly from the deformation of the PbBr3 ? framewor...

Halide peroxidase in tissues that interact with bacteria in the host squid Euprymna scolopes.

Science.gov (United States)

Small, A L; McFall-Ngai, M J

1999-03-15

An enzyme with similarities to myeloperoxidase, the antimicrobial halide peroxidase in mammalian neutrophils, occurs abundantly in the light organ tissue of Euprymna scolopes, a squid that maintains a beneficial association with the luminous bacterium Vibrio fischeri. Using three independent assays typically applied to the analysis of halide peroxidase enzymes, we directly compared the activity of the squid enzyme with that of human myeloperoxidase. One of these methods, the diethanolamine assay, confirmed that the squid peroxidase requires halide ions for its activity. The identification of a halide peroxidase in a cooperative bacterial association suggested that this type of enzyme can function not only to control pathogens, but also to modulate the interactions of host animals with their beneficial partners. To determine whether the squid peroxidase functions under both circumstances, we examined its distribution in a variety of host tissues, including those that typically interact with bacteria and those that do not. Tissues interacting with bacteria included those that have specific cooperative associations with bacteria (i.e., the light organ and accessory nidamental gland) and those that have transient nonspecific interactions with bacteria (i.e., the gills, which clear the cephalopod circulatory system of invading microorganisms). These bacteria-associated tissues were compared with the eye, digestive gland, white body, and ink-producing tissues, which do not typically interact directly with bacteria. Peroxidase enzyme assays, immunocytochemical localization, and DNA-RNA hybridizations showed that the halide-dependent peroxidase is consistently expressed in high concentration in tissues that interact bacteria. Elevated levels of the peroxidase were also found in the ink-producing tissues, which are known to have enzymatic pathways associated with antimicrobial activity. Taken together, these data suggest that the host uses a common biochemical response to

Two-dimensional filtering of SPECT images using the Metz and Wiener filters

International Nuclear Information System (INIS)

King, M.A.; Schwinger, R.B.; Penney, B.C.; Doherty, P.W.

1984-01-01

Presently, single photon emission computed tomographic (SPECT) images are usually reconstructed by arbitrarily selecting a one-dimensional ''window'' function for use in reconstruction. A better method would be to automatically choose among a family of two-dimensional image restoration filters in such a way as to produce ''optimum'' image quality. Two-dimensional image processing techniques offer the advantages of a larger statistical sampling of the data for better noise reduction, and two-dimensional image deconvolution to correct for blurring during acquisition. An investigation of two such ''optimal'' digital image restoration techniques (the count-dependent Metz filter and the Wiener filter) was made. They were applied both as two-dimensional ''window'' functions for preprocessing SPECT images, and for filtering reconstructed images. Their performance was compared by measuring image contrast and per cent fractional standard deviation (% FSD) in multiple-acquisitions of the Jaszczak SPECT phantom at two different count levels. A statistically significant increase in image contrast and decrease in % FSD was observed with these techniques when compared to the results of reconstruction with a ramp filter. The adaptability of the techniques was manifested in a lesser % reduction in % FSD at the high count level coupled with a greater enhancement in image contrast. Using an array processor, processing time was 0.2 sec per image for the Metz filter and 3 sec for the Wiener filter. It is concluded that two-dimensional digital image restoration with these techniques can produce a significant increase in SPECT image quality

Vector (two-dimensional) magnetic phenomena

International Nuclear Information System (INIS)

Enokizono, Masato

2002-01-01

In this paper, some interesting phenomena were described from the viewpoint of two-dimensional magnetic property, which is reworded with the vector magnetic property. It shows imperfection of conventional magnetic property and some interested phenomena were discovered, too. We found magnetic materials had the strong nonlinearity both magnitude and spatial phase due to the relationship between the magnetic field strength H-vector and the magnetic flux density B-vector. Therefore, magnetic properties should be defined as the vector relationship. Furthermore, the new Barukhausen signal was observed under rotating flux. (Author)

Mass relations for two-dimensional classical configurations

International Nuclear Information System (INIS)

Tataru-Mihai, P.

1980-01-01

Using the two-dimensional sigma-nonlinear models as a framework mass relations for classical configurations of instanton/soliton type are derived. Our results suggest an interesting differential-geometric interpretation of the mass of a classical configuration in terms of the topological characteristics of an associated manifold. (orig.)

Analytical simulation of two dimensional advection dispersion ...

African Journals Online (AJOL)

The study was designed to investigate the analytical simulation of two dimensional advection dispersion equation of contaminant transport. The steady state flow condition of the contaminant transport where inorganic contaminants in aqueous waste solutions are disposed of at the land surface where it would migrate ...

Analytical Simulation of Two Dimensional Advection Dispersion ...

African Journals Online (AJOL)

ADOWIE PERE

ABSTRACT: The study was designed to investigate the analytical simulation of two dimensional advection dispersion equation of contaminant transport. The steady state flow condition of the contaminant transport where inorganic contaminants in aqueous waste solutions are disposed of at the land surface where it would ...

Nonlinear dynamic characterization of two-dimensional materials

NARCIS (Netherlands)

Davidovikj, D.; Alijani, F.; Cartamil Bueno, S.J.; van der Zant, H.S.J.; Amabili, M.; Steeneken, P.G.

2017-01-01

Owing to their atomic-scale thickness, the resonances of two-dimensional (2D) material membranes show signatures of nonlinearities at forces of only a few picoNewtons. Although the linear dynamics of membranes is well understood, the exact relation between the nonlinear response and the resonator's

Linear negative magnetoresistance in two-dimensional Lorentz gases

Science.gov (United States)

Schluck, J.; Hund, M.; Heckenthaler, T.; Heinzel, T.; Siboni, N. H.; Horbach, J.; Pierz, K.; Schumacher, H. W.; Kazazis, D.; Gennser, U.; Mailly, D.

2018-03-01

Two-dimensional Lorentz gases formed by obstacles in the shape of circles, squares, and retroreflectors are reported to show a pronounced linear negative magnetoresistance at small magnetic fields. For circular obstacles at low number densities, our results agree with the predictions of a model based on classical retroreflection. In extension to the existing theoretical models, we find that the normalized magnetoresistance slope depends on the obstacle shape and increases as the number density of the obstacles is increased. The peaks are furthermore suppressed by in-plane magnetic fields as well as by elevated temperatures. These results suggest that classical retroreflection can form a significant contribution to the magnetoresistivity of two-dimensional Lorentz gases, while contributions from weak localization cannot be excluded, in particular for large obstacle densities.

Effects of sharp vorticity gradients in two-dimensional hydrodynamic turbulence

DEFF Research Database (Denmark)

Kuznetsov, E.A.; Naulin, Volker; Nielsen, Anders Henry

2007-01-01

The appearance of sharp vorticity gradients in two-dimensional hydrodynamic turbulence and their influence on the turbulent spectra are considered. We have developed the analog of the vortex line representation as a transformation to the curvilinear system of coordinates moving together with the ......The appearance of sharp vorticity gradients in two-dimensional hydrodynamic turbulence and their influence on the turbulent spectra are considered. We have developed the analog of the vortex line representation as a transformation to the curvilinear system of coordinates moving together...... with the divorticity lines. Compressibility of this mapping can be considered as the main reason for the formation of the sharp vorticity gradients at high Reynolds numbers. For two-dimensional turbulence in the case of strong anisotropy the sharp vorticity gradients can generate spectra which fall off as k−3 at large...

Magnetic anisotropy of two-dimensional nanostructures: Transition-metal triangular stripes

International Nuclear Information System (INIS)

Dorantes-Davila, J.; Villasenor-Gonzalez, P.; Pastor, G.M.

2005-01-01

The magnetic anisotropy energy (MAE) of one-dimensional stripes having infinite length and triangular lateral structure are investigated in the framework of a self-consistent tight-binding method. One observes discontinuous changes in the easy magnetization direction along the crossover from one to two dimensions. The MAE oscillates as a function of stripe width and depends strongly on the considered transition metal (TM). The MAE of the two-leg ladder is strongly reduced as compared to that of the monoatomic chain and the convergence to the two-dimensional limit is rather slow

Explorative data analysis of two-dimensional electrophoresis gels

DEFF Research Database (Denmark)

Schultz, J.; Gottlieb, D.M.; Petersen, Marianne Kjerstine

2004-01-01

of gels is presented. First, an approach is demonstrated in which no prior knowledge of the separated proteins is used. Alignment of the gels followed by a simple transformation of data makes it possible to analyze the gels in an automated explorative manner by principal component analysis, to determine......Methods for classification of two-dimensional (2-DE) electrophoresis gels based on multivariate data analysis are demonstrated. Two-dimensional gels of ten wheat varieties are analyzed and it is demonstrated how to classify the wheat varieties in two qualities and a method for initial screening...... if the gels should be further analyzed. A more detailed approach is done by analyzing spot volume lists by principal components analysis and partial least square regression. The use of spot volume data offers a mean to investigate the spot pattern and link the classified protein patterns to distinct spots...

Consistent two-dimensional visualization of protein-ligand complex series

Directory of Open Access Journals (Sweden)

Stierand Katrin

2011-06-01

Full Text Available Abstract Background The comparative two-dimensional graphical representation of protein-ligand complex series featuring different ligands bound to the same active site offers a quick insight in their binding mode differences. In comparison to arbitrary orientations of the residue molecules in the individual complex depictions a consistent placement improves the legibility and comparability within the series. The automatic generation of such consistent layouts offers the possibility to apply it to large data sets originating from computer-aided drug design methods. Results We developed a new approach, which automatically generates a consistent layout of interacting residues for a given series of complexes. Based on the structural three-dimensional input information, a global two-dimensional layout for all residues of the complex ensemble is computed. The algorithm incorporates the three-dimensional adjacencies of the active site residues in order to find an universally valid circular arrangement of the residues around the ligand. Subsequent to a two-dimensional ligand superimposition step, a global placement for each residue is derived from the set of already placed ligands. The method generates high-quality layouts, showing mostly overlap-free solutions with molecules which are displayed as structure diagrams providing interaction information in atomic detail. Application examples document an improved legibility compared to series of diagrams whose layouts are calculated independently from each other. Conclusions The presented method extends the field of complex series visualizations. A series of molecules binding to the same protein active site is drawn in a graphically consistent way. Compared to existing approaches these drawings substantially simplify the visual analysis of large compound series.

Reduction of multi-dimensional laboratory data to a two-dimensional plot: a novel technique for the identification of laboratory error.

Science.gov (United States)

Kazmierczak, Steven C; Leen, Todd K; Erdogmus, Deniz; Carreira-Perpinan, Miguel A

2007-01-01

The clinical laboratory generates large amounts of patient-specific data. Detection of errors that arise during pre-analytical, analytical, and post-analytical processes is difficult. We performed a pilot study, utilizing a multidimensional data reduction technique, to assess the utility of this method for identifying errors in laboratory data. We evaluated 13,670 individual patient records collected over a 2-month period from hospital inpatients and outpatients. We utilized those patient records that contained a complete set of 14 different biochemical analytes. We used two-dimensional generative topographic mapping to project the 14-dimensional record to a two-dimensional space. The use of a two-dimensional generative topographic mapping technique to plot multi-analyte patient data as a two-dimensional graph allows for the rapid identification of potentially anomalous data. Although we performed a retrospective analysis, this technique has the benefit of being able to assess laboratory-generated data in real time, allowing for the rapid identification and correction of anomalous data before they are released to the physician. In addition, serial laboratory multi-analyte data for an individual patient can also be plotted as a two-dimensional plot. This tool might also be useful for assessing patient wellbeing and prognosis.

On the size distribution of one-, two- and three-dimensional Voronoi cells

International Nuclear Information System (INIS)

Marthinsen, K.

1994-03-01

The present report gives a presentation of the different cell size distribution obtained by computer simulations of random Voronoi cell structures in one-, two- and three-dimensional space. The random Voronoi cells are constructed from cell centroids randomly distributed along a string, in the plane and in three-dimensional space, respectively. The size distributions are based on 2-3 · 10 4 cells. For the spacial polyhedra both the distribution of volumes, areas and radii are presented, and the two latter quantities are compared to the distributions of areas and radii from a planar section through the three-dimensional structure as well as to the corresponding distributions obtained from a pure two-dimensional cell structure. 11 refs., 11 figs

The use of virtual reality to reimagine two-dimensional representations of three-dimensional spaces

Science.gov (United States)

Fath, Elaine

2015-03-01

A familiar realm in the world of two-dimensional art is the craft of taking a flat canvas and creating, through color, size, and perspective, the illusion of a three-dimensional space. Using well-explored tricks of logic and sight, impossible landscapes such as those by surrealists de Chirico or Salvador Dalí seem to be windows into new and incredible spaces which appear to be simultaneously feasible and utterly nonsensical. As real-time 3D imaging becomes increasingly prevalent as an artistic medium, this process takes on an additional layer of depth: no longer is two-dimensional space restricted to strategies of light, color, line and geometry to create the impression of a three-dimensional space. A digital interactive environment is a space laid out in three dimensions, allowing the user to explore impossible environments in a way that feels very real. In this project, surrealist two-dimensional art was researched and reimagined: what would stepping into a de Chirico or a Magritte look and feel like, if the depth and distance created by light and geometry were not simply single-perspective illusions, but fully formed and explorable spaces? 3D environment-building software is allowing us to step into these impossible spaces in ways that 2D representations leave us yearning for. This art project explores what we gain--and what gets left behind--when these impossible spaces become doors, rather than windows. Using sketching, Maya 3D rendering software, and the Unity Engine, surrealist art was reimagined as a fully navigable real-time digital environment. The surrealist movement and its key artists were researched for their use of color, geometry, texture, and space and how these elements contributed to their work as a whole, which often conveys feelings of unexpectedness or uneasiness. The end goal was to preserve these feelings while allowing the viewer to actively engage with the space.

Controlled Interactions between Two Dimensional Layered Inorganic Nanosheets and Polymers

Science.gov (United States)

2016-06-15

AFRL-AFOSR-JP-TR-2016-0071 Controlled Interactions between Two Dimensional Layered Inorganic Nanosheets and Polymers Cheolmin Park YONSEI UNIVERSITY...Interactions between Two Dimensional Layered Inorganic Nanosheets and Polymers 5a.  CONTRACT NUMBER 5b.  GRANT NUMBER FA2386-14-1-4054 5c.  PROGRAM ELEMENT...prospects for a variety of emerging applications in a broad range of fields, such as electronics, energy conversion and storage, catalysis and polymer

Binuclear trivalent and tetravalent uranium halides and cyanides supported by cyclooctatetraene ligands

Energy Technology Data Exchange (ETDEWEB)

Wang, Cong-Zhi; Wu, Qun-Yan; Lan, Jian-Hui; Shi, Wei-Qun [Chinese Academy of Sciences, Beijing (China). Laboratory of Nuclear Energy Chemistry and Key Laboratory for Biomedical Effects of Nanomaterials and Nanosafety; Chai, Zhi-Fang [Chinese Academy of Sciences, Beijing (China). Laboratory of Nuclear Energy Chemistry and Key Laboratory for Biomedical Effects of Nanomaterials and Nanosafety; Soochow Univ., Suzhou (China). School of Radiological and Interdisciplinary Sciences (RAD-X); Gibson, John K. [Lawrence Berkeley National Laboratory, CA (United States). Chemical Sciences Division

2017-03-01

Although the first organoactinide chloride Cp{sub 3}UCl (Cp = η{sup 5}-C{sub 5}H{sub 5}) was synthesized more than 50 years ago, binuclear uranium halides remain very rare in organoactinide chemistry. Herein, a series of binuclear trivalent and tetravalent uranium halides and cyanides with cyclooctatetraene ligands, (COT){sub 2}U{sub 2}X{sub n} (COT = η{sup 8}-C{sub 8}H{sub 8}; X=F, Cl, CN; n=2, 4), have been systematically studied using scalar-relativistic density functional theory (DFT). The structures with bridging halide or cyanide ligands were predicted to be the most stable complexes of (COT){sub 2}U{sub 2}X{sub n}, and all the complexes show weak antiferromagnetic interactions between the uranium centers. However, for each species, there is no significant uranium-uranium bonding interaction. The bonding between the metal and the ligands shows some degree of covalent character, especially between the metal and terminal halide or cyanide ligands. The U-5f and 6d orbitals are predominantly involved in the metal-ligand bonding. All the (COT){sub 2}U{sub 2}X{sub n} species were predicted to be more stable compared to the mononuclear half-sandwich complexes at room temperature in the gas phase such that (COT){sub 2}U{sub 2}X{sub 4} might be accessible through the known (COT){sub 2}U complex. The tetravalent derivatives (COT){sub 2}U{sub 2}X{sub 4} are more energetically favorable than the trivalent (COT){sub 2}U{sub 2}X{sub 2} analogs, which may be attributed to the greater number of strong metal-ligand bonds in the former complexes.

Collapse arresting in an inhomogeneous two-dimensional nonlinear Schrodinger model

DEFF Research Database (Denmark)

Schjødt-Eriksen, Jens; Gaididei, Yuri Borisovich; Christiansen, Peter Leth

2001-01-01

Collapse of (2 + 1)-dimensional beams in the inhomogeneous two-dimensional cubic nonlinear Schrodinger equation is analyzed numerically and analytically. It is shown that in the vicinity of a narrow attractive inhomogeneity, the collapse of beams that in a homogeneous medium would collapse may...

Thermal expansion of two-dimensional itinerant nearly ferromagnetic metal

International Nuclear Information System (INIS)

Konno, R; Hatayama, N; Takahashi, Y; Nakano, H

2009-01-01

Thermal expansion of two-dimensional itinerant nearly ferromagnetic metal is investigated according to the recent theoretical development of magneto-volume effect for the three-dimensional weak ferromagnets. We particularly focus on the T 2 -linear thermal expansion of magnetic origin at low temperatures, so far disregarded by conventional theories. As the effect of thermal spin fluctuations we have found that the T-linear thermal expansion coefficient shows strong enhancement by assuming the double Lorentzian form of the non-interacting dynamical susceptibility justified in the small wave-number and low frequency region. It grows faster in proportional to y -1/2 as we approach the magnetic instability point than two-dimensional nearly antiferromagnetic metals with ln(1/y s ) dependence, where y and y s are the inverses of the reduced uniform and staggered magnetic susceptibilities, respectively. Our result is consistent with the Grueneisen's relation between the thermal expansion coefficient and the specific heat at low temperatures. In 2-dimensional electron gas we find that the thermal expansion coefficient is divergent with a finite y when the higher order term of non-interacting dynamical susceptibility is taken into account.

Empirical formula for the parameters of metallic monovalent halides ...

African Journals Online (AJOL)

By collating the data on melting properties and transport coefficients obtained from various experiments and theories for certain halides of monovalent metals, allinclusive linear relationship has been fashioned out. This expression holds between the change in entropy and volume on melting; it is approximately obeyed by ...

Spectroscopy on metal-halide lamps under varying gravity conditions

NARCIS (Netherlands)

Flikweert, A.J.

2008-01-01

Worldwide, 20% of all electricity is used for lighting. For this reason, efficient lamps are economically and ecologically important. High intensity discharge (HID) lamps are efficient lamps. The most common HID lamp these days is the metal-halide (MH) lamp. MH lamps have a good colour rendering

Dislocation unpinning model of acoustic emission from alkali halide ...

Indian Academy of Sciences (India)

AE) from alkali halide crystals. Equations are derived for the strain dependence of the transient AE pulse rate, peak value of the AE pulse rate and the total number of AE pulse emitted. It is found that the AE pulse rate should be maximum for a ...

Two-dimensionally confined topological edge states in photonic crystals

International Nuclear Information System (INIS)

Barik, Sabyasachi; Miyake, Hirokazu; DeGottardi, Wade; Waks, Edo; Hafezi, Mohammad

2016-01-01

We present an all-dielectric photonic crystal structure that supports two-dimensionally confined helical topological edge states. The topological properties of the system are controlled by the crystal parameters. An interface between two regions of differing band topologies gives rise to topological edge states confined in a dielectric slab that propagate around sharp corners without backscattering. Three-dimensional finite-difference time-domain calculations show these edges to be confined in the out-of-plane direction by total internal reflection. Such nanoscale photonic crystal architectures could enable strong interactions between photonic edge states and quantum emitters. (paper)

Multilocality and fusion rules on the generalized structure functions in two-dimensional and three-dimensional Navier-Stokes turbulence.

Science.gov (United States)

Gkioulekas, Eleftherios

2016-09-01

Using the fusion-rules hypothesis for three-dimensional and two-dimensional Navier-Stokes turbulence, we generalize a previous nonperturbative locality proof to multiple applications of the nonlinear interactions operator on generalized structure functions of velocity differences. We call this generalization of nonperturbative locality to multiple applications of the nonlinear interactions operator "multilocality." The resulting cross terms pose a new challenge requiring a new argument and the introduction of a new fusion rule that takes advantage of rotational symmetry. Our main result is that the fusion-rules hypothesis implies both locality and multilocality in both the IR and UV limits for the downscale energy cascade of three-dimensional Navier-Stokes turbulence and the downscale enstrophy cascade and inverse energy cascade of two-dimensional Navier-Stokes turbulence. We stress that these claims relate to nonperturbative locality of generalized structure functions on all orders and not the term-by-term perturbative locality of diagrammatic theories or closure models that involve only two-point correlation and response functions.

Level crossings in complex two-dimensional potentials

Indian Academy of Sciences (India)

Two-dimensional P T -symmetric quantum-mechanical systems with the complex cubic potential 12 = 2 + 2 + 2 and the complex Hénon–Heiles potential HH = 2 + 2 + (2 − 3/3) are investigated. Using numerical and perturbative methods, energy spectra are obtained to high levels. Although both ...

Tunneling between parallel two-dimensional electron liquids

Czech Academy of Sciences Publication Activity Database

Jungwirth, Tomáš; MacDonald, A. H.

361/362, - (1996), s. 167-170 ISSN 0039-6028. [International Conference on the Electronic Properties of Two Dimensional Systems /11./. Nottingham, 07.08.1995-11.08.1995] R&D Projects: GA ČR GA202/94/1278 Grant - others:INT(XX) 9106888 Impact factor: 2.783, year: 1996

Two-dimensional position sensitive Si(Li) detector

International Nuclear Information System (INIS)

Walton, J.T.; Hubbard, G.S.; Haller, E.E.; Sommer, H.A.

1978-11-01

Circular, large-area two-dimensional Si(Li) position sensitive detectors have been fabricated. The detectors employ a thin lithium-diffused n + resisitive layer for one contact and a boron implanted p + resistive layer for the second contact. A position resolution of the order of 100 μm is indicated

Halide Perovskites: New Science or ``only'' future Energy Converters?

Science.gov (United States)

Cahen, David

Over the years many new ideas and systems for photovoltaic, PV, solar to electrical energy conversion have been explored, but only a few have really impacted PV's role as a more sustainable, environmentally less problematic and safer source of electrical power than fossil or nuclear fuel-based generation. Will Halide Perovskites, HaPs, be able to join the very select group of commercial PV options? To try to address this question, we put Halide Perovskite(HaP) cells in perspective with respect to other PV cells. Doing so also allows to identify fundamental scientific issues that can be important for PV and beyond. What remains to be seen is if those issues lead to new science or scientific insights or additional use of existing models. Being more specific is problematic, given the fact that this will be 4 months after writing this abstract. Israel National Nano-initiative, Weizmann Institute of Science's Alternative sustainable Energy Research Initiative; Israel Ministries of -Science and of -Infrastructure, Energy & Water.

Double Charged Surface Layers in Lead Halide Perovskite Crystals

KAUST Repository

Sarmah, Smritakshi P.

2017-02-01

Understanding defect chemistry, particularly ion migration, and its significant effect on the surface’s optical and electronic properties is one of the major challenges impeding the development of hybrid perovskite-based devices. Here, using both experimental and theoretical approaches, we demonstrated that the surface layers of the perovskite crystals may acquire a high concentration of positively charged vacancies with the complementary negatively charged halide ions pushed to the surface. This charge separation near the surface generates an electric field that can induce an increase of optical band gap in the surface layers relative to the bulk. We found that the charge separation, electric field, and the amplitude of shift in the bandgap strongly depend on the halides and organic moieties of perovskite crystals. Our findings reveal the peculiarity of surface effects that are currently limiting the applications of perovskite crystals and more importantly explain their origins, thus enabling viable surface passivation strategies to remediate them.

Many electron variational ground state of the two dimensional Anderson lattice

International Nuclear Information System (INIS)

Zhou, Y.; Bowen, S.P.; Mancini, J.D.

1991-02-01

A variational upper bound of the ground state energy of two dimensional finite Anderson lattices is determined as a function of lattice size (up to 16 x 16). Two different sets of many-electron basis vectors are used to determine the ground state for all values of the coulomb integral U. This variational scheme has been successfully tested for one dimensional models and should give good estimates in two dimensions

Topology as fluid geometry two-dimensional spaces, volume 2

CERN Document Server

Cannon, James W

2017-01-01

This is the second of a three volume collection devoted to the geometry, topology, and curvature of 2-dimensional spaces. The collection provides a guided tour through a wide range of topics by one of the twentieth century's masters of geometric topology. The books are accessible to college and graduate students and provide perspective and insight to mathematicians at all levels who are interested in geometry and topology. The second volume deals with the topology of 2-dimensional spaces. The attempts encountered in Volume 1 to understand length and area in the plane lead to examples most easily described by the methods of topology (fluid geometry): finite curves of infinite length, 1-dimensional curves of positive area, space-filling curves (Peano curves), 0-dimensional subsets of the plane through which no straight path can pass (Cantor sets), etc. Volume 2 describes such sets. All of the standard topological results about 2-dimensional spaces are then proved, such as the Fundamental Theorem of Algebra (two...

Aluminum Pitting Corrosion in Halide Media: A Quantum Model and Empirical Evidence

Science.gov (United States)

Lashgari, Mohsen; Kianpour, Effat; Mohammadi, Esmaeil

2013-12-01

The phenomenon of localized damage of aluminum oxide surface in the presence of halide anions was scrutinized at an atomistic level, through the cluster approach and density functional theory. The phenomenon was also investigated empirically through Tafel polarization plots and scanning electron microscopy. A distinct behavior witnessed in the fluoride medium was justified through the hard-soft acid-base principle. The atomistic investigations revealed the greatest potency for chloride entrance into the metal oxide lattice and rationalized to the severity of damage. The interaction of halide anions with the oxide surface causing some displacements on the position of Al atoms provides a mechanistic insight of the phenomenon.

The nature of dynamic disorder in lead halide perovskite crystals (Conference Presentation)

Science.gov (United States)

Yaffe, Omer; Guo, Yinsheng; Hull, Trevor; Stoumpos, Costas; Tan, Liang Z.; Egger, David A.; Zheng, Fan; Szpak, Guilherme; Semonin, Octavi E.; Beecher, Alexander N.; Heinz, Tony F.; Kronik, Leeor; Rappe, Andrew M.; Kanatzidis, Mercouri G.; Owen, Jonathan S.; Pimenta, Marcos A.; Brus, Louis E.

2016-09-01

We combine low frequency Raman scattering measurements with first-principles molecular dynamics (MD) to study the nature of dynamic disorder in hybrid lead-halide perovskite crystals. We conduct a comparative study between a hybrid (CH3NH3PbBr3) and an all-inorganic lead-halide perovskite (CsPbBr3). Both are of the general ABX3 perovskite formula, and have a similar band gap and structural phase sequence, orthorhombic at low temperature, changing first to tetragonal and then to cubic symmetry as temperature increases. In the high temperature phases, we find that both compounds show a pronounced Raman quasi-elastic central peak, indicating that both are dynamically disordered.

Two-dimensional core calculation research for fuel management optimization based on CPACT code

International Nuclear Information System (INIS)

Chen Xiaosong; Peng Lianghui; Gang Zhi

2013-01-01

Fuel management optimization process requires rapid assessment for the core layout program, and the commonly used methods include two-dimensional diffusion nodal method, perturbation method, neural network method and etc. A two-dimensional loading patterns evaluation code was developed based on the three-dimensional LWR diffusion calculation program CPACT. Axial buckling introduced to simulate the axial leakage was searched in sub-burnup sections to correct the two-dimensional core diffusion calculation results. Meanwhile, in order to get better accuracy, the weight equivalent volume method of the control rod assembly cross-section was improved. (authors)

Topics in Two-Dimensional Quantum Gravity and Chern-Simons Gauge Theories

Science.gov (United States)

Zemba, Guillermo Raul

A series of studies in two and three dimensional theories is presented. The two dimensional problems are considered in the framework of String Theory. The first one determines the region of integration in the space of inequivalent tori of a tadpole diagram in Closed String Field Theory, using the naive Witten three-string vertex. It is shown that every surface is counted an infinite number of times and the source of this behavior is identified. The second study analyzes the behavior of the discrete matrix model of two dimensional gravity without matter using a mathematically well-defined construction, confirming several conjectures and partial results from the literature. The studies in three dimensions are based on Chern Simons pure gauge theory. The first one deals with the projection of the theory onto a two-dimensional surface of constant time, whereas the second analyzes the large N behavior of the SU(N) theory and makes evident a duality symmetry between the only two parameters of the theory. (Copies available exclusively from MIT Libraries, Rm. 14-0551, Cambridge, MA 02139-4307. Ph. 617-253-5668; Fax 617-253 -1690.).

One-dimensional GIS-based model compared with a two-dimensional model in urban floods simulation.

Science.gov (United States)

Lhomme, J; Bouvier, C; Mignot, E; Paquier, A

2006-01-01

A GIS-based one-dimensional flood simulation model is presented and applied to the centre of the city of Nîmes (Gard, France), for mapping flow depths or velocities in the streets network. The geometry of the one-dimensional elements is derived from the Digital Elevation Model (DEM). The flow is routed from one element to the next using the kinematic wave approximation. At the crossroads, the flows in the downstream branches are computed using a conceptual scheme. This scheme was previously designed to fit Y-shaped pipes junctions, and has been modified here to fit X-shaped crossroads. The results were compared with the results of a two-dimensional hydrodynamic model based on the full shallow water equations. The comparison shows that good agreements can be found in the steepest streets of the study zone, but differences may be important in the other streets. Some reasons that can explain the differences between the two models are given and some research possibilities are proposed.

Two-dimensional Kagome photonic bandgap waveguide

DEFF Research Database (Denmark)

Nielsen, Jens Bo; Søndergaard, Thomas; Libori, Stig E. Barkou

2000-01-01

The transverse-magnetic photonic-bandgap-guidance properties are investigated for a planar two-dimensional (2-D) Kagome waveguide configuration using a full-vectorial plane-wave-expansion method. Single-moded well-localized low-index guided modes are found. The localization of the optical modes...... is investigated with respect to the width of the 2-D Kagome waveguide, and the number of modes existing for specific frequencies and waveguide widths is mapped out....

Structure and properties of dichloro(L-proline)cadmium(II) hydrate

Energy Technology Data Exchange (ETDEWEB)

Yukawa, Yasuhiko; Inomata, Yoshie; Takeuchi, Toshio [Jochi Univ., Tokyo (Japan). Faculty of Science and Technology

1983-07-01

An X-ray diffraction study of the title complex has been carried out. The crystal is orthorhombic, with the space group P2/sub 1/2/sub 1/2/sub 1/; Z=4, a=10.021(3), b=13.562(4), c=7.298(3) A. Block-diagonal least-squares refinements have led to the final R value of 0.035. The structure is very similar to that of dichloro(4-hydroxy-L-proline) cadmium(II), which has a one-dimensional polymer bridged by chlorine atoms and a carboxyl group like an infinite folding screen. The thermal behavior is, however, different from that of dichloro(4-hydroxy-L-proline) cadmium(II). The difference is likely to be due to a difference of the crystal structure, whether it contains intermolecular hydrogen bonds or not.

Chimera states in two-dimensional networks of locally coupled oscillators

Science.gov (United States)

Kundu, Srilena; Majhi, Soumen; Bera, Bidesh K.; Ghosh, Dibakar; Lakshmanan, M.

2018-02-01

Chimera state is defined as a mixed type of collective state in which synchronized and desynchronized subpopulations of a network of coupled oscillators coexist and the appearance of such anomalous behavior has strong connection to diverse neuronal developments. Most of the previous studies on chimera states are not extensively done in two-dimensional ensembles of coupled oscillators by taking neuronal systems with nonlinear coupling function into account while such ensembles of oscillators are more realistic from a neurobiological point of view. In this paper, we report the emergence and existence of chimera states by considering locally coupled two-dimensional networks of identical oscillators where each node is interacting through nonlinear coupling function. This is in contrast with the existence of chimera states in two-dimensional nonlocally coupled oscillators with rectangular kernel in the coupling function. We find that the presence of nonlinearity in the coupling function plays a key role to produce chimera states in two-dimensional locally coupled oscillators. We analytically verify explicitly in the case of a network of coupled Stuart-Landau oscillators in two dimensions that the obtained results using Ott-Antonsen approach and our analytical finding very well matches with the numerical results. Next, we consider another type of important nonlinear coupling function which exists in neuronal systems, namely chemical synaptic function, through which the nearest-neighbor (locally coupled) neurons interact with each other. It is shown that such synaptic interacting function promotes the emergence of chimera states in two-dimensional lattices of locally coupled neuronal oscillators. In numerical simulations, we consider two paradigmatic neuronal oscillators, namely Hindmarsh-Rose neuron model and Rulkov map for each node which exhibit bursting dynamics. By associating various spatiotemporal behaviors and snapshots at particular times, we study the chimera

Cuprous halides semiconductors as a new means for highly efficient light-emitting diodes

Science.gov (United States)

Ahn, Doyeol; Park, Seoung-Hwan

2016-01-01

In group-III nitrides in use for white light-emitting diodes (LEDs), optical gain, measure of luminous efficiency, is very low owing to the built-in electrostatic fields, low exciton binding energy, and high-density misfit dislocations due to lattice-mismatched substrates. Cuprous halides I-VII semiconductors, on the other hand, have negligible built-in field, large exciton binding energies and close lattice matched to silicon substrates. Recent experimental studies have shown that the luminescence of I-VII CuCl grown on Si is three orders larger than that of GaN at room temperature. Here we report yet unexplored potential of cuprous halides systems by investigating the optical gain of CuCl/CuI quantum wells. It is found that the optical gain and the luminescence are much larger than that of group III-nitrides due to large exciton binding energy and vanishing electrostatic fields. We expect that these findings will open up the way toward highly efficient cuprous halides based LEDs compatible to Si technology. PMID:26880097

Infrared Dielectric Screening Determines the Low Exciton Binding Energy of Metal-Halide Perovskites.

Science.gov (United States)

Umari, Paolo; Mosconi, Edoardo; De Angelis, Filippo

2018-02-01

The performance of lead-halide perovskites in optoelectronic devices is due to a unique combination of factors, including highly efficient generation, transport, and collection of photogenerated charge carriers. The mechanism behind efficient charge generation in lead-halide perovskites is still largely unknown. Here, we investigate the factors that influence the exciton binding energy (E b ) in a series of metal-halide perovskites using accurate first-principles calculations based on solution of the Bethe-Salpeter equation, coupled to ab initio molecular dynamics simulations. We find that E b is strongly modulated by screening from low-energy phonons, which account for a factor ∼2 E b reduction, while dynamic disorder and rotational motion of the organic cations play a minor role. We calculate E b = 15 meV for MAPbI 3 , in excellent agreement with recent experimental estimates. We then explore how different material combinations (e.g., replacing Pb → Pb:Sn→ Sn; and MA → FA → Cs) may lead to different E b values and highlight the mechanisms underlying E b tuning.

Third-order elastic moduli for alkali-halide crystals possessing the sodium chloride structure

International Nuclear Information System (INIS)

Ray, U.

2010-01-01

The values of third-order elastic moduli for alkali halides, having NaCl-type crystal structure are calculated according to the Born-Mayer potential model, considering the repulsive interactions up to the second nearest neighbours and calculating the values of the potential parameters for each crystal, independently, from the compressibility data. This work presents the first published account of the calculation of the third-order elastic moduli taking the actual value of the potential parameter unlike the earlier works. Third-order elastic constants have been computed for alkali halides at 0 and 300 K. The results of the third-order elastic constants are compared with the available experimental and theoretical data. Very good agreement between experimental and theoretical third-order elastic constant data (except C 123 ) is found. We have also computed the values of the pressure derivatives of second-order elastic constants and Anderson-Grueneisen parameter for alkali halides, which agree reasonably well with the experimental values, indicating the satisfactory nature of our computed data for third-order elastic constants.

Prenatal diagnosis of Beckwith-Wiedemann syndrome by two- and three-dimensional ultrasonography

Directory of Open Access Journals (Sweden)

Edward Araujo Junior

2013-12-01

Full Text Available Beckwith-Wiedemann syndrome is a genetic syndrome characterized by macroglossia, omphalocele, fetal gigantism and neonatal hypoglycemia. The authors report a case of Beckwith-Wiedemann syndrome diagnosed in a 32-year-old primigravida in whom two-dimensional ultrasonography revealed the presence of abdominal wall cyst, macroglossia and polycystic kidneys. Three-dimensional ultrasonography in rendering mode was of great importance to confirm the previous two-dimensional ultrasonography findings.

Critical Behaviour of Pure and Site-Random Two Dimensional Antiferromagnets

DEFF Research Database (Denmark)

Birgenau, R. J.; Als-Nielsen, Jens Aage; Shirane, G.

1977-01-01

Quasielastic neutron scattering studies of the static critical behavior in the two-dimensional antiferromagnets K2NiF4, K2MnF4, and Rb2Mn0.5Ni0.5F4 are reported. For T......Quasielastic neutron scattering studies of the static critical behavior in the two-dimensional antiferromagnets K2NiF4, K2MnF4, and Rb2Mn0.5Ni0.5F4 are reported. For T...

Types of two-dimensional = 4 superconformal field theories

Indian Academy of Sciences (India)

Types of two-dimensional = 4 superconformal field theories. Abbas Ali ... Various types of = 4 superconformal symmetries in two dimensions are considered. It is proposed that apart ... Pramana – Journal of Physics | News. © 2017 Indian ...

Inhibition of mild steel corrosion in acidic medium using synthetic and naturally occurring polymers and synergistic halide additives

Energy Technology Data Exchange (ETDEWEB)

Umoren, S.A. [Department of Chemistry, Faculty of Science, University of Uyo, P.M.B 1017 Uyo (Nigeria)], E-mail: saviourumoren@yahoo.com; Ogbobe, O.; Igwe, I.O. [Department of Polymer and Textile Engineering, School of Engineering and Engineering Technology, Federal University of Technology, P.M.B. 1526 Owerri (Nigeria); Ebenso, E.E. [Department of Chemistry and Chemical Technology, National University of Lesotho, P. O. Roma180, Lesotho (South Africa)

2008-07-15

The corrosion inhibition of mild steel in H{sub 2}SO{sub 4} in the presence of gum arabic (GA) (naturally occurring polymer) and polyethylene glycol (PEG) (synthetic polymer) was studied using weight loss, hydrogen evolution and thermometric methods at 30-60 deg. C. PEG was found to be a better inhibitor for mild steel corrosion in acidic medium than GA. The effect of addition of halides (KCl, KBr and KI) was also studied. Results obtained showed that inhibition efficiency (I%) increased with increase in GA and PEG concentration, addition of halides and with increase in temperature. Increase in inhibition efficiency (I%) and degree of surface coverage ({theta}) was found to follow the trend Cl{sup -} < Br{sup -} < I{sup -} which indicates that the radii and electronegativity of the halide ions play a significant role in the adsorption process. GA and PEG alone and in combination with halides were found to obey Temkin adsorption isotherm. Phenomenon of chemical adsorption is proposed from the trend of inhibition efficiency with temperature and values {delta}G{sub ads}{sup 0} obtained. The synergism parameter, S{sub I} evaluated is found to be greater than unity indicating that the enhanced inhibition efficiency caused by the addition of halides is only due to synergism.

Preparation of gold microparticles using halide ions in bulk block copolymer phases via photoreduction

International Nuclear Information System (INIS)

Cha, Sang-Ho; Kim, Ki-Hyun; Lee, Won-Ki; Lee, Jong-Chan

2009-01-01

Gold microparticles were prepared from the gold salt in the solid bulk phase of a poly(ethylene oxide)-poly(propylene oxide)-poly(ethylene oxide) block copolymer via a photoreduction process in the presence of halide ions. The shapes and sizes of the gold microparticles were found to be dependent on the types and amount of halide ions as well as the types of cations used due to the combined effects of the adsorption power and oxidative dissolution ability of the additives on gold surfaces. Gold nanorods were obtained when poly(ethylene oxide) was used instead of the block copolymer. This suggests that the poly(propylene oxide) (PPO) parts in the block copolymer are essential for the formation of gold microparticles, even though the degree of the direct interaction between the PPO blocks and gold salt is not significant. - Graphical abstract: Gold microparticles were successfully prepared using halide ions as additives in the polymeric bulk phase via photoreduction with the glow lamp irradiation.

Two-dimensional 220 MHz Fourier transform EPR imaging

International Nuclear Information System (INIS)

Placidi, Giuseppe; Brivati, John A.; Alecci, Marcello; Testa, Luca; Sotgiu, Antonello

1998-01-01

In the last decade radiofrequency continuous-wave EPR spectrometers have been developed to detect and localize free radicals in vivo. Only recently, pulsed radiofrequency EPR spectrometers have been described for imaging applications with small samples. In the present work, we show the first two-dimensional image obtained at 220 MHz on a large phantom (40 ml) that simulates typical conditions of in vivo EPR imaging. This pulsed EPR apparatus has the potential to make the time required for three-dimensional imaging compatible with the biological half-life of normally used paramagnetic probes. (author)

Two-dimensional interpolation with experimental data smoothing

International Nuclear Information System (INIS)

Trejbal, Z.

1989-01-01

A method of two-dimensional interpolation with smoothing of time statistically deflected points is developed for processing of magnetic field measurements at the U-120M field measurements at the U-120M cyclotron. Mathematical statement of initial requirements and the final result of relevant algebraic transformations are given. 3 refs

Transient two-dimensional flow in porous media

International Nuclear Information System (INIS)

Sharpe, L. Jr.

1979-01-01

The transient flow of an isothermal ideal gas from the cavity formed by an underground nuclear explosion is investigated. A two-dimensional finite element method is used in analyzing the gas flow. Numerical results of the pressure distribution are obtained for both the stemming column and the surrounding porous media

Comparison of a three-dimensional and two-dimensional camera system for automated measurement of back posture in dairy cows

NARCIS (Netherlands)

Viazzi, S.; Bahr, C.; Hertem, van T.; Schlageter-Tello, A.; Romanini, C.E.B.; Halachmi, I.; Lokhorst, C.; Berckmans, D.

2014-01-01

In this study, two different computer vision techniques to automatically measure the back posture in dairy cows were tested and evaluated. A two-dimensional and a three-dimensional camera system were used to extract the back posture from walking cows, which is one measurement used by experts to

Demixing in a metal halide lamp, results from modeling

NARCIS (Netherlands)

Beks, M.L.; Hartgers, A.; Mullen, van der J.J.A.M.; Veldhuizen, van E.M.

2005-01-01

Metal Halide (MH) lamps are high pressure discharge devices, containing a complex chemical mixture, to emit light on a broad spectrum while maintaining good efficacies. Lamps of this type were first exhibited by General Electric at the 1964 World Fair in New York [1]. They typically consist of an

Crystal growth, structure and phase studies on gold halides

NARCIS (Netherlands)

Janssen, Eugenius Maria Wilhelmus Janssen

1977-01-01

Only very corrosive substances attack gold, the most noble metal. In this study the reactivity and the phase diagrams of gold with the halogens chlorine, bromine and iodine have been investigated. owing to the noble behaviour of gold, its halides are sensitive to heat; on heating they decompose into

Structural, dynamical, and transport properties of the hydrated halides: How do At{sup −} bulk properties compare with those of the other halides, from F{sup −} to I{sup −}?

Energy Technology Data Exchange (ETDEWEB)

Réal, Florent, E-mail: florent.real@univ-lille1.fr; Severo Pereira Gomes, André; Guerrero Martínez, Yansel Omar; Vallet, Valérie [Université de Lille, CNRS, UMR 8523–PhLAM–Physique des Lasers Atomes et Molécules, F-59000 Lille (France); Ayed, Tahra; Galland, Nicolas [CEISAM UMR CNRS 6230, Université de Nantes, 2 Rue de la Houssinière, BP 92208 F-44322 Nantes Cedex 3 (France); Masella, Michel [Laboratoire de Biologie Structurale et Radiobiologie, Service de Bioénergétique, Biologie Structurale et Mécanismes, Institut de Biologie et de Technologies de Saclay, CEA Saclay, F-91191 Gif sur Yvette Cedex (France)

2016-03-28

The properties of halides from the lightest, fluoride (F{sup −}), to the heaviest, astatide (At{sup −}), have been studied in water using a polarizable force-field approach based on molecular dynamics (MD) simulations at the 10 ns scale. The selected force-field explicitly treats the cooperativity within the halide-water hydrogen bond networks. The force-field parameters have been adjusted to ab initio data on anion/water clusters computed at the relativistic Möller-Plesset second-order perturbation theory level of theory. The anion static polarizabilities of the two heaviest halides, I{sup −} and At{sup −}, were computed in the gas phase using large and diffuse atomic basis sets, and taking into account both electron correlation and spin-orbit coupling within a four-component framework. Our MD simulation results show the solvation properties of I{sup −} and At{sup −} in aqueous phase to be very close. For instance, their first hydration shells are structured and encompass 9.2 and 9.1 water molecules at about 3.70 ± 0.05 Å, respectively. These values have to be compared to the F{sup −}, Cl{sup −}, and Br{sup −} ones, i.e., 6.3, 8.4, and 9.0 water molecules at 2.74, 3.38, and 3.55 Å, respectively. Moreover our computations predict the solvation free energy of At{sup −} in liquid water at ambient conditions to be 68 kcal mol{sup −1}, a value also close the I{sup −} one, about 70 kcal mol{sup −1}. In all, our simulation results for I{sup −} are in excellent agreement with the latest neutron- and X-ray diffraction studies. Those for the At{sup −} ion are predictive, as no theoretical or experimental data are available to date.

Two- to three-dimensional crossover in a dense electron liquid in silicon

Science.gov (United States)

Matmon, Guy; Ginossar, Eran; Villis, Byron J.; Kölker, Alex; Lim, Tingbin; Solanki, Hari; Schofield, Steven R.; Curson, Neil J.; Li, Juerong; Murdin, Ben N.; Fisher, Andrew J.; Aeppli, Gabriel

2018-04-01

Doping of silicon via phosphine exposures alternating with molecular beam epitaxy overgrowth is a path to Si:P substrates for conventional microelectronics and quantum information technologies. The technique also provides a well-controlled material for systematic studies of two-dimensional lattices with a half-filled band. We show here that for a dense (ns=2.8 ×1014 cm-2) disordered two-dimensional array of P atoms, the full field magnitude and angle-dependent magnetotransport is remarkably well described by classic weak localization theory with no corrections due to interaction. The two- to three-dimensional crossover seen upon warming can also be interpreted using scaling concepts developed for anistropic three-dimensional materials, which work remarkably except when the applied fields are nearly parallel to the conducting planes.

Growth and Characterization of PDMS-Stamped Halide Perovskite Single Microcrystals

NARCIS (Netherlands)

Khoram, P.; Brittman, S.; Dzik, W.I.; Reek, J.N.H.; Garneett, E.C.

2016-01-01

Recently, halide perovskites have attracted considerable attention for optoelectronic applications, but further progress in this field requires a thorough understanding of the fundamental properties of these materials. Studying perovskites in their single-crystalline form provides a model system for

Quantum vacuum energy in two dimensional space-times

International Nuclear Information System (INIS)

Davies, P.C.W.; Fulling, S.A.

1977-01-01

The paper presents in detail the renormalization theory of the energy-momentum tensor of a two dimensional massless scalar field which has been used elsewhere to study the local physics in a model of black hole evaporation. The treatment is generalized to include the Casimir effect occurring in spatially finite models. The essence of the method is evaluation of the field products in the tensor as functions of two points, followed by covariant subtraction of the discontinuous terms arising as the points coalesce. In two dimensional massless theories, conformal transformations permit exact calculations to be performed. The results are applied here to some special cases, primarily space-times of constant curvature, with emphasis on the existence of distinct 'vacuum' states associated naturally with different conformal coordinate systems. The relevance of the work to the general problems of defining observables and of classifying and interpreting states in curved-space quantum field theory is discussed. (author)

Quantum vacuum energy in two dimensional space-times

Energy Technology Data Exchange (ETDEWEB)

Davies, P C.W.; Fulling, S A [King' s Coll., London (UK). Dept. of Mathematics

1977-04-21

The paper presents in detail the renormalization theory of the energy-momentum tensor of a two dimensional massless scalar field which has been used elsewhere to study the local physics in a model of black hole evaporation. The treatment is generalized to include the Casimir effect occurring in spatially finite models. The essence of the method is evaluation of the field products in the tensor as functions of two points, followed by covariant subtraction of the discontinuous terms arising as the points coalesce. In two dimensional massless theories, conformal transformations permit exact calculations to be performed. The results are applied here to some special cases, primarily space-times of constant curvature, with emphasis on the existence of distinct 'vacuum' states associated naturally with different conformal coordinate systems. The relevance of the work to the general problems of defining observables and of classifying and interpreting states in curved-space quantum field theory is discussed.

Study of two-dimensional interchange turbulence

International Nuclear Information System (INIS)

Sugama, Hideo; Wakatani, Masahiro.

1990-04-01

An eddy viscosity model describing enstrophy transfer in two-dimensional turbulence is presented. This model is similar to that of Canuto et al. and provides an equation for the energy spectral function F(k) as a function of the energy input rate to the system per unit wavenumber, γ s (k). In the enstrophy-transfer inertial range, F(k)∝ k -3 is predicted by the model. The eddy viscosity model is applied to the interchange turbulence of a plasma in shearless magnetic field. Numerical simulation of the two-dimensional interchange turbulence demonstrates that the energy spectrum in the high wavenumber region is well described by this model. The turbulent transport driven by the interchange turbulence is expressed in terms of the Nusselt number Nu, the Rayleigh number Ra and Prantl number Pr in the same manner as that of thermal convection problem. When we use the linear growth rate for γ s (k), our theoretical model predicts that Nu ∝ (Ra·Pr) 1/2 for a constant background pressure gradient and Nu ∝ (Ra·Pr) 1/3 for a self-consistent background pressure profile with the stress-free slip boundary conditions. The latter agrees with our numerical result showing Nu ∝ Ra 1/3 . (author)

Three-dimensional reciprocal space x-ray coherent scattering tomography of two-dimensional object.

Science.gov (United States)

Zhu, Zheyuan; Pang, Shuo

2018-04-01

X-ray coherent scattering tomography is a powerful tool in discriminating biological tissues and bio-compatible materials. Conventional x-ray scattering tomography framework can only resolve isotropic scattering profile under the assumption that the material is amorphous or in powder form, which is not true especially for biological samples with orientation-dependent structure. Previous tomography schemes based on x-ray coherent scattering failed to preserve the scattering pattern from samples with preferred orientations, or required elaborated data acquisition scheme, which could limit its application in practical settings. Here, we demonstrate a simple imaging modality to preserve the anisotropic scattering signal in three-dimensional reciprocal (momentum transfer) space of a two-dimensional sample layer. By incorporating detector movement along the direction of x-ray beam, combined with a tomographic data acquisition scheme, we match the five dimensions of the measurements with the five dimensions (three in momentum transfer domain, and two in spatial domain) of the object. We employed a collimated pencil beam of a table-top copper-anode x-ray tube, along with a panel detector to investigate the feasibility of our method. We have demonstrated x-ray coherent scattering tomographic imaging at a spatial resolution ~2 mm and momentum transfer resolution 0.01 Å -1 for the rotation-invariant scattering direction. For any arbitrary, non-rotation-invariant direction, the same spatial and momentum transfer resolution can be achieved based on the spatial information from the rotation-invariant direction. The reconstructed scattering profile of each pixel from the experiment is consistent with the x-ray diffraction profile of each material. The three-dimensional scattering pattern recovered from the measurement reveals the partially ordered molecular structure of Teflon wrap in our sample. We extend the applicability of conventional x-ray coherent scattering tomography to

Model of two-dimensional electron gas formation at ferroelectric interfaces

Energy Technology Data Exchange (ETDEWEB)

Aguado-Puente, P.; Bristowe, N. C.; Yin, B.; Shirasawa, R.; Ghosez, Philippe; Littlewood, P. B.; Artacho, Emilio

2015-07-01

The formation of a two-dimensional electron gas at oxide interfaces as a consequence of polar discontinuities has generated an enormous amount of activity due to the variety of interesting effects it gives rise to. Here, we study under what circumstances similar processes can also take place underneath ferroelectric thin films. We use a simple Landau model to demonstrate that in the absence of extrinsic screening mechanisms, a monodomain phase can be stabilized in ferroelectric films by means of an electronic reconstruction. Unlike in the LaAlO3/SrTiO3 heterostructure, the emergence with thickness of the free charge at the interface is discontinuous. This prediction is confirmed by performing first-principles simulations of free-standing slabs of PbTiO3. The model is also used to predict the response of the system to an applied electric field, demonstrating that the two-dimensional electron gas can be switched on and off discontinuously and in a nonvolatile fashion. Furthermore, the reversal of the polarization can be used to switch between a two-dimensional electron gas and a two-dimensional hole gas, which should, in principle, have very different transport properties. We discuss the possible formation of polarization domains and how such configuration competes with the spontaneous accumulation of free charge at the interfaces.

Generalized similarity method in unsteady two-dimensional MHD ...

African Journals Online (AJOL)

user

International Journal of Engineering, Science and Technology. Vol. 1, No. 1, 2009 ... temperature two-dimensional MHD laminar boundary layer of incompressible fluid. ...... Φ η is Blasius solution for stationary boundary layer on the plate,. ( ). 0.

Two-dimensional analysis of motion artifacts, including flow effects

International Nuclear Information System (INIS)

Litt, A.M.; Brody, A.S.; Spangler, R.A.; Scott, P.D.

1990-01-01

The effects of motion on magnetic resonance images have been theoretically analyzed for the case of a point-like object in simple harmonic motion and for other one-dimensional trajectories. The authors of this paper extend this analysis to a generalized two-dimensional magnetization with an arbitrary motion trajectory. The authors provide specific solutions for the clinically relevant cases of the cross-sections of cylindrical objects in the body, such as the aorta, which has a roughly one-dimensional, simple harmonic motion during respiration. By extending the solution to include inhomogeneous magnetizations, the authors present a model which allows the effects of motion artifacts and flow artifacts to be analyzed simultaneously

Precise Control of Quantum Confinement in Cesium Lead Halide Perovskite Quantum Dots via Thermodynamic Equilibrium.

Science.gov (United States)

Dong, Yitong; Qiao, Tian; Kim, Doyun; Parobek, David; Rossi, Daniel; Son, Dong Hee

2018-05-09

Cesium lead halide (CsPbX 3 ) nanocrystals have emerged as a new family of materials that can outperform the existing semiconductor nanocrystals due to their superb optical and charge-transport properties. However, the lack of a robust method for producing quantum dots with controlled size and high ensemble uniformity has been one of the major obstacles in exploring the useful properties of excitons in zero-dimensional nanostructures of CsPbX 3 . Here, we report a new synthesis approach that enables the precise control of the size based on the equilibrium rather than kinetics, producing CsPbX 3 quantum dots nearly free of heterogeneous broadening in their exciton luminescence. The high level of size control and ensemble uniformity achieved here will open the door to harnessing the benefits of excitons in CsPbX 3 quantum dots for photonic and energy-harvesting applications.

Trap-Free Hot Carrier Relaxation in Lead–Halide Perovskite Films

KAUST Repository

Bretschneider, Simon A.; Laquai, Fré dé ric; Bonn, Mischa

2017-01-01

Photovoltaic devices that employ lead-halide perovskites as photoactive materials exhibit power conversion efficiencies of 22%. One of the potential routes to go beyond the current efficiencies is to extract charge carriers that carry excess energy, that is, nonrelaxed or

Trap-Free Hot Carrier Relaxation in Lead–Halide Perovskite Films

KAUST Repository

Bretschneider, Simon A.

2017-05-08

Photovoltaic devices that employ lead-halide perovskites as photoactive materials exhibit power conversion efficiencies of 22%. One of the potential routes to go beyond the current efficiencies is to extract charge carriers that carry excess energy, that is, nonrelaxed or

Confined catalysis under two-dimensional materials

OpenAIRE

Li, Haobo; Xiao, Jianping; Fu, Qiang; Bao, Xinhe

2017-01-01

Small spaces in nanoreactors may have big implications in chemistry, because the chemical nature of molecules and reactions within the nanospaces can be changed significantly due to the nanoconfinement effect. Two-dimensional (2D) nanoreactor formed under 2D materials can provide a well-defined model system to explore the confined catalysis. We demonstrate a general tendency for weakened surface adsorption under the confinement of graphene overlayer, illustrating the feasible modulation of su...

Electron cryomicroscopy of two-dimensional crystals of the H+-ATPase from chloroplasts

NARCIS (Netherlands)

Böttcher, Bettina; Gräber, Peter; Boekema, Egbert J.; Lücken, Uwe

1995-01-01

The H+-ATPase from spinach chloroplasts was isolated and purified. Two-dimensional crystals were obtained from the protein/lipid/detergent micelles by treatment with phospholipase and simultaneous removal of detergent and fatty acids by Biobeads. The resulting two-dimensionally ordered arrays were

The Electrical and Optical Properties of Organometal Halide Perovskites Relevant to Optoelectronic Performance

KAUST Repository

Adinolfi, Valerio

2017-10-12

Organometal halide perovskites are under intense study for use in optoelectronics. Methylammonium and formamidinium lead iodide show impressive performance as photovoltaic materials; a premise that has spurred investigations into light-emitting devices and photodetectors. Herein, the optical and electrical material properties of organometal halide perovskites are reviewed. An overview is given on how the material composition and morphology are tied to these properties, and how these properties ultimately affect device performance. Material attributes and techniques used to estimate them are analyzed for different perovskite materials, with a particular focus on the bandgap, mobility, diffusion length, carrier lifetime, and trap-state density.