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Sample records for improve subsection nh

  1. Update and Improve Subsection NH –– Alternative Simplified Creep-Fatigue Design Methods

    Energy Technology Data Exchange (ETDEWEB)

    Tai Asayama

    2009-10-26

    This report described the results of investigation on Task 10 of DOE/ASME Materials NGNP/Generation IV Project based on a contract between ASME Standards Technology, LLC (ASME ST-LLC) and Japan Atomic Energy Agency (JAEA). Task 10 is to Update and Improve Subsection NH -- Alternative Simplified Creep-Fatigue Design Methods. Five newly proposed promising creep-fatigue evaluation methods were investigated. Those are (1) modified ductility exhaustion method, (2) strain range separation method, (3) approach for pressure vessel application, (4) hybrid method of time fraction and ductility exhaustion, and (5) simplified model test approach. The outlines of those methods are presented first, and predictability of experimental results of these methods is demonstrated using the creep-fatigue data collected in previous Tasks 3 and 5. All the methods (except the simplified model test approach which is not ready for application) predicted experimental results fairly accurately. On the other hand, predicted creep-fatigue life in long-term regions showed considerable differences among the methodologies. These differences come from the concepts each method is based on. All the new methods investigated in this report have advantages over the currently employed time fraction rule and offer technical insights that should be thought much of in the improvement of creep-fatigue evaluation procedures. The main points of the modified ductility exhaustion method, the strain range separation method, the approach for pressure vessel application and the hybrid method can be reflected in the improvement of the current time fraction rule. The simplified mode test approach would offer a whole new advantage including robustness and simplicity which are definitely attractive but this approach is yet to be validated for implementation at this point. Therefore, this report recommends the following two steps as a course of improvement of NH based on newly proposed creep-fatigue evaluation

  2. A Review & Assessment of Current Operating Conditions Allowable Stresses in ASME Section III Subsection NH

    Energy Technology Data Exchange (ETDEWEB)

    R. W. Swindeman

    2009-12-14

    The current operating condition allowable stresses provided in ASME Section III, Subsection NH were reviewed for consistency with the criteria used to establish the stress allowables and with the allowable stresses provided in ASME Section II, Part D. It was found that the S{sub o} values in ASME III-NH were consistent with the S values in ASME IID for the five materials of interest. However, it was found that 0.80 S{sub r} was less than S{sub o} for some temperatures for four of the materials. Only values for alloy 800H appeared to be consistent with the criteria on which S{sub o} values are established. With the intent of undertaking a more detailed evaluation of issues related to the allowable stresses in ASME III-NH, the availabilities of databases for the five materials were reviewed and augmented databases were assembled.

  3. Verification of Allowable Stresses In ASME Section III Subsection NH For Grade 91 Steel & Alloy 800H

    Energy Technology Data Exchange (ETDEWEB)

    R. W. Swindeman; M. J. Swindeman; B. W. Roberts; B. E. Thurgood; D. L. Marriott

    2007-11-30

    The database for the creep-rupture of 9Cr-1Mo-V (Grade 91) steel was collected and reviewed to determine if it met the needs for recommending time-dependent strength values, S{sub t}, for coverage in ASME Section III Subsection NH (ASME III-NH) to 650 C (1200 F) and 600,000 hours. The accumulated database included over 300 tests for 1% total strain, nearly 400 tests for tertiary creep, and nearly 1700 tests to rupture. Procedures for analyzing creep and rupture data for ASME III-NH were reviewed and compared to the procedures used to develop the current allowable stress values for Gr 91 for ASME II-D. The criteria in ASME III-NH for estimating S{sub t} included the average strength for 1% total strain for times to 600,000 hours, 80% of the minimum strength for tertiary creep for times to 600,000 hours, and 67% of the minimum rupture strength values for times to 600,000 hours. Time-temperature-stress parametric formulations were selected to correlate the data and make predictions of the long-time strength. It was found that the stress corresponding to 1% total strain and the initiation of tertiary creep were not the controlling criteria over the temperature-time range of concern. It was found that small adjustments to the current values in III-NH could be introduced but that the existing values were conservative and could be retained. The existing database was found to be adequate to extend the coverage to 600,000 hours for temperatures below 650 C (1200 F).

  4. Regulatory Safety Issues in the Structural Design Criteria of ASME Section III Subsection NH and for Very High Temperatures for VHTR & GEN IV

    Energy Technology Data Exchange (ETDEWEB)

    William J. O’Donnell; Donald S. Griffin

    2007-05-07

    The objective of this task is to identify issues relevant to ASME Section III, Subsection NH [1], and related Code Cases that must be resolved for licensing purposes for VHTGRs (Very High Temperature Gas Reactor concepts such as those of PBMR, Areva, and GA); and to identify the material models, design criteria, and analysis methods that need to be added to the ASME Code to cover the unresolved safety issues. Subsection NH was originally developed to provide structural design criteria and limits for elevated-temperature design of Liquid Metal Fast Breeder Reactor (LMFBR) systems and some gas-cooled systems. The U.S. Nuclear Regulatory Commission (NRC) and its Advisory Committee for Reactor Safeguards (ACRS) reviewed the design limits and procedures in the process of reviewing the Clinch River Breeder Reactor (CRBR) for a construction permit in the late 1970s and early 1980s, and identified issues that needed resolution. In the years since then, the NRC and various contractors have evaluated the applicability of the ASME Code and Code Cases to high-temperature reactor designs such as the VHTGRs, and identified issues that need to be resolved to provide a regulatory basis for licensing. This Report describes: (1) NRC and ACRS safety concerns raised during the licensing process of CRBR , (2) how some of these issues are addressed by the current Subsection NH of the ASME Code; and (3) the material models, design criteria, and analysis methods that need to be added to the ASME Code and Code Cases to cover unresolved regulatory issues for very high temperature service.

  5. Update and Improve Subsection NH - Simplified Elastic and Inelastic Design Analysis Methods

    Energy Technology Data Exchange (ETDEWEB)

    Jeries J. Abou-Hanna; Douglas L. Marriott; Timothy E. McGreevy

    2009-06-27

    The objective of this subtask is to develop a template for the 'Ideal' high temperature design Code, in which individual topics can be identified and worked on separately in order to provide the detail necessary to comprise a comprehensive Code. Like all ideals, this one may not be attainable as a practical matter. The purpose is to set a goal for what is believed the 'Ideal' design Code should address, recognizing that some elements are not mutually exclusive and that the same objectives can be achieved in different way. Most, if not all existing Codes may therefore be found to be lacking in some respects, but this does not mean necessarily that they are not comprehensive. While this subtask does attempt to list the elements which individually or in combination are considered essential in such a Code, the authors do not presume to recommend how these elements should be implemented or even, that they should all be implemented at all. The scope of this subtask is limited to compiling the list of elements thought to be necessary or at minimum, useful in such an 'Ideal' Code; suggestions are provided as to their relationship to one another. Except for brief descriptions, where these are needed for clarification, neither this repot, nor Task 9 as a whole, attempts to address details of the contents of all these elements. Some, namely primary load limits (elastic, limit load, reference stress), and ratcheting (elastic, e-p, reference stress) are dealt with specifically in other subtasks of Task 9. All others are merely listed; the expectation is that they will either be the focus of attention of other active DOE-ASME GenIV Materials Tasks, e.g. creep-fatigue, or to be considered in future DOE-ASME GenIV Materials Tasks. Since the focus of this Task is specifically approximate methods, the authors have deemed it necessary to include some discussion on what is meant by 'approximate'. However, the topic will be addressed in one or more later subtasks. This report describes work conducted toward developing a template for what might be the 'Ideal' high temperature design Code. While attempting to be as comprehensive as possible as to subject matter, it does not presume to recommend what individual components of a Code should be implemented, some of which is the focus of other Tasks in the DOE-ASME Gen IV/NGNP Materials Projects. This report does serve as a basis for construction of an attribute chart which is being prepared as part of Task 9.2; the intention for which is to provide a uniform format and concise means for summarizing and comparing other high temperature Codes currently in use around the world.

  6. Improvement of ASME NH for Grade 91

    Energy Technology Data Exchange (ETDEWEB)

    Bernard Riou

    2007-10-09

    This report has been prepared in the context of Task 3 of the ASME/DOE Gen IV material project. It has been identified that creep-fatigue evaluation procedures presently available in ASME (1) and RCC-MR (2) have been mainly developed for austenitic stainless steels and may not be suitable for cyclic softening materials such as mod 9 Cr 1 Mo steel (grade 91). The aim of this document is, starting from experimental test results, to perform a review of the procedures and, if necessary, provide recommendations for their improvements.

  7. Ecological Subsections for Northern Alaska, 2012 update

    Data.gov (United States)

    Arctic Landscape Conservation Cooperative — This data set represents an updated Ecological Subsection Map for Northern Alaska. This 2012 revision focused on completing the incompletely mapped portion of the...

  8. Taxonomic revision of Elaphoglossum subsection Muscosa (Dryopteridaceae)

    NARCIS (Netherlands)

    Vasco, A.

    2011-01-01

    The present paper provides a monograph of Elaphoglossum subsect. Muscosa, a monophyletic group supported by molecular phylogenetic analyses. The monograph includes keys, full synonymy, descriptions, representative specimens examined, an index to collectors’ names and numbers, illustrations, spore

  9. Strategy for improved NH2 detection in combustion environments using an Alexandrite laser

    Science.gov (United States)

    Brackmann, Christian; Zhou, Bo; Samuelsson, Per; Alekseev, Vladimir A.; Konnov, Alexander A.; Li, Zhongshan; Aldén, Marcus

    2017-09-01

    A new scheme for NH2 detection by means of laser-induced fluorescence (LIF) with excitation around wavelength 385 nm, accessible using the second harmonic of a solid-state Alexandrite laser, is presented. Detection of NH2 was confirmed by identification of corresponding lines in fluorescence excitation spectra measured in premixed NH3-air flames and on NH2 radicals generated through NH3 photolysis in a nonreactive flow at ambient conditions. Moreover, spectral simulations allow for tentative NH2 line identification. Dispersed fluorescence emission spectra measured in flames and photolysis experiments showed lines attributed to vibrational bands of the NH2 A2A1 ← X2B1 transition but also a continuous structure, which in flame was observed to be dependent on nitrogen added to the fuel, apparently also generated by NH2. A general conclusion was that fluorescence interferences need to be carefully considered for NH2 diagnostics in this spectral region. Excitation for laser irradiances up to 0.2 GW/cm2 did not result in NH2 fluorescence saturation and allowed for efficient utilization of the available laser power without indication of laser-induced photochemistry. Compared with a previously employed excitation/detection scheme for NH2 at around 630 nm, excitation at 385.7 nm showed a factor of 15 higher NH2 signal. The improved signal allowed for single-shot NH2 LIF imaging on centimeter scale in flame with signal-to-noise ratio of 3 for concentrations around 1000 ppm, suggesting a detection limit around 700 ppm. Thus, the presented approach for NH2 detection provides enhanced possibilities for characterization of fuel-nitrogen combustion chemistry.

  10. Type studies in Coprinus subsection Lanatuli

    NARCIS (Netherlands)

    Uljé, C.B.; Noordeloos, M.E.

    2001-01-01

    As a prelude to a monograph of the genus Coprinus, types were studied of a number of species said to belong to Coprinus subsection Lanatuli (Coprinus alnivorus. C. alutaceivelatus, C. ammophilae, C. arachnoideus, C. asterophoroides, C. brunneistragulatus, C. bubalinus, C. citrinovelatus, C.

  11. Type studies in Coprinus subsection Lanatuli

    NARCIS (Netherlands)

    Uljé, C.B.; Noordeloos, M.E.

    2001-01-01

    As a prelude to a monograph of the genus Coprinus, types were studied of a number of species said to belong to Coprinus subsection Lanatuli (Coprinus alnivorus. C. alutaceivelatus, C. ammophilae, C. arachnoideus, C. asterophoroides, C. brunneistragulatus, C. bubalinus, C. citrinovelatus, C. colosseu

  12. Type studies in Coprinus subsection Lanatuli

    OpenAIRE

    Uljé, C.B.; Noordeloos, M.E.

    2001-01-01

    As a prelude to a monograph of the genus Coprinus, types were studied of a number of species said to belong to Coprinus subsection Lanatuli (Coprinus alnivorus. C. alutaceivelatus, C. ammophilae, C. arachnoideus, C. asterophoroides, C. brunneistragulatus, C. bubalinus, C. citrinovelatus, C. colosseus, C. jonesii, C. lagopides, C. marcidus, C. pachydermus, C. palmeranus, C. roseistipitatus, C. scobicola, C. spadiceisporus, C. sylvicola, C. tectisporus, C. undulatus and C. xerophilus). As a res...

  13. 22 CFR 505.13 - General exemptions (Subsection (j)).

    Science.gov (United States)

    2010-04-01

    ... 22 Foreign Relations 2 2010-04-01 2010-04-01 true General exemptions (Subsection (j)). 505.13... exemptions (Subsection (j)). (a) General exemptions are available for systems of records which are maintained by the Central Intelligence Agency (Subsection (j)(1)), or maintained by an agency which performs...

  14. 22 CFR 505.14 - Specific exemptions (Subsection (k)).

    Science.gov (United States)

    2010-04-01

    ... 22 Foreign Relations 2 2010-04-01 2010-04-01 true Specific exemptions (Subsection (k)). 505.14... exemptions (Subsection (k)). The specific exemptions focus more on the nature of the records in the system of...) Subsection (k)(1). Records which are specifically authorized under criteria established under an Executive...

  15. The taxonomy of the European species of Hebeloma section Denudata subsections Hiemalia, Echinospora subsect. nov. and Clepsydroida subsect. nov. and five new species.

    Science.gov (United States)

    Eberhardt, Ursula; Beker, Henry J; Vesterholt, Jan; Schütz, Nicole

    2016-01-01

    Hebeloma section Denudata includes the majority of the taxa commonly referred to as the Hebeloma crustuliniforme complex. In a recent paper we described in detail H. subsection Denudata and fifteen European species recognised within this subsection, using morphological and molecular methods. In this paper we continue this work and describe in detail three additional subsections and several new species. Within H. subsection Hiemalia we recognise just one species, Hebeloma hiemale. Here we propose an epitype in order to unambiguously define this taxon. Nine species occurring in Europe are assigned to H. subsect. Clepsydroida, namely Hebeloma ammophilum, H. cavipes, H. fragilipes, H. ingratum, H. laetitiae, H. limbatum sp. nov., H. matritense sp. nov., H. pseudofragilipes sp. nov., and H. vaccinum. Finally, we introduce H. subsection Echinospora with three species: Hebeloma echinosporum sp. nov., H. populinum, and H. rostratum sp. nov. We provide descriptions of all three of these species in order to clarify the taxonomy of this section. We provide a key to H. sect. Denudata and the discussed subsections. For the majority of the taxa there is good overall consistency between morphological and phylogenetic delimitation and, where the information exists, thanks to Aanen and Kuyper's work, biological delimitation.

  16. Agile Systems Engineering-Kanban Scheduling Subsection

    Science.gov (United States)

    2017-03-10

    March 6, 2013. [8] Lane, J. A. and Turner, R. “Improving Development Visibility and Flow in Large Operational Organizations ,” 4th International...3 Develop the Demonstration and Analysis Tool for Agile SE Management...Item Network Model ............................................................................................ 15 Figure 6. SIMIO Product Development

  17. Studies in Coprinus IV — Coprinus section coprinus. Subdivision and revision of subsection Alachuani

    NARCIS (Netherlands)

    Uljé, C.B.; Noordeloos, M.E.

    1997-01-01

    Coprinus section Coprinus is defined and delimited to comprise four subsections: Atramentarii, Coprinus, Lanatuli and Alachuani. A key to the subsections is given as well as a key to the species of subsection Alachuani known from the Netherlands or to be expected in the Netherlands on account of

  18. Studies in Coprinus IV — Coprinus section coprinus. Subdivision and revision of subsection Alachuani

    NARCIS (Netherlands)

    Uljé, C.B.; Noordeloos, M.E.

    1997-01-01

    Coprinus section Coprinus is defined and delimited to comprise four subsections: Atramentarii, Coprinus, Lanatuli and Alachuani. A key to the subsections is given as well as a key to the species of subsection Alachuani known from the Netherlands or to be expected in the Netherlands on account of rec

  19. Staff line detection and revision algorithm based on subsection projection and correlation algorithm

    Science.gov (United States)

    Yang, Yin-xian; Yang, Ding-li

    2013-03-01

    Staff line detection plays a key role in OMR technology, and is the precon-ditions of subsequent segmentation 1& recognition of music sheets. For the phenomena of horizontal inclination & curvature of staff lines and vertical inclination of image, which often occur in music scores, an improved approach based on subsection projection is put forward to realize the detection of original staff lines and revision in an effect to implement staff line detection more successfully. Experimental results show the presented algorithm can detect and revise staff lines fast and effectively.

  20. 500kV主变后备保护联跳分段开关的二次回路改进建议%Secondary Circuit Improvement Suggestion of 500kV Main Transformer Standby Protection Shunt Tripping Subsection Switch

    Institute of Scientific and Technical Information of China (English)

    欧俊延

    2015-01-01

    双母双分段220kV母线接线方式在倒闸操作等特殊运行方式下,提高了保护拒动或误动的风险。在分析了接入刀闸辅助接点来自动切换跳闸回路的基础上,提出了一种基于保护装置平台的改进思路,即在跳闸逻辑中增加刀闸位置的判据。该方法在微机保护装置中简单易行,便于现场人员快速判断刀闸辅助接点的分合以及整个跳闸出口回路的完好性、正确性,提高了变压器后备保护的可靠性。%Under tripping operation etc special running modes, the 220 kV bus bar connection method of double bus bar double subsection had raised protection misguiding or mis-tripping risks. On the basis of analyzing automatic switching tripping circuit connected by auxiliary contractors, this paper raised an improved idea based on protection device platform, that was to say that a judgment of tripping logic was added into knife blade position. The method is simple and easy in microcomputer protection device, easy for onsite working personnel to quickly judge making and breaking of knife blade auxiliary contractors, as well as the integrality and correctness of entire tripping, which raises the transformer standby protection reliability.

  1. Quinone-modified NH2-MIL-101(Fe) composite as a redox mediator for improved degradation of bisphenol A.

    Science.gov (United States)

    Li, Xianghui; Guo, Weilin; Liu, Zhonghua; Wang, Ruiqin; Liu, Hua

    2017-02-15

    A novel quinone-modified metal-organic frameworks NH2-MIL-101(Fe) was synthesized using a simple chemical method under mild condition. The introduced 2-anthraquinone sulfonate (AQS) can be covalently modified with NH2-MIL-101(Fe) and acts as a redox mediator to enhance the degradation of bisphenol A (BPA) via persulfate activation. The obtained AQS-NH-MIL-101(Fe) was characterized by Fourier transform infrared spectroscopy, X-ray diffraction, scanning electron microscopy, X-ray photoelectron spectra, cyclic voltammetry and electrochemical impedance spectroscopy. AQS-NH-MIL-101(Fe) exhibited better catalytic performance compared with NH2-MIL-101(Fe) and NH2-MIL-101(Fe) with free AQS (NH2-MIL-101(Fe)/AQS). That is, AQS-NH-MIL-101(Fe) was proved to be the most effective in that more than 97.7% of BPA was removed. The degradation rate constants (k) of AQS-NH-MIL-101(Fe) was 9-fold higher than that of NH2-MIL-101(Fe) and 7-fold higher than NH2-MIL-101(Fe)/AQS, indicating that AQS is a great electron-transfer mediator when modified with NH2-MIL-101(Fe). Based on the above results, the possible mechanism of catalytic reaction has been investigated in view of the trapping experiments. In addition, the AQS-NH-MIL-101(Fe) catalyst exhibited excellent stability and can be used several times without significant deterioration in performance.

  2. Improvement in the Mechanical Behavior of Mechanically Alloyed Aluminum Using Short-Time NH3 Flow

    Science.gov (United States)

    Caballero, E. S.; Cintas, J.; Cuevas, F. G.; Montes, J. M.; Herrera-García, M.

    2016-12-01

    In order to study the influence of a short-time ammonia gas flow during mechanical alloying (MA) of aluminum powders, samples were prepared using a simple press and sinter method. All milling experiments were performed at room temperature for a total of 10 hours. A short-time ammonia flow was incorporated into the milling process, allowing for the appearance of nitrogen-rich second phases, mainly oxycarbonitride and oxynitride aluminum (Al3CON and Al5O6N, respectively), during powder sintering. Testing of the sintering parts showed that the use of a short-time ammonia gas flow during vacuum milling substantially improved the mechanical properties at room and high temperatures.

  3. Reduced graphene oxide-NH2 modified low pressure nanofiltration composite hollow fiber membranes with improved water flux and antifouling capabilities

    Science.gov (United States)

    Li, Xipeng; Zhao, Changwei; Yang, Mei; Yang, Bin; Hou, Deyin; Wang, Tao

    2017-10-01

    Reduced graphene oxide-NH2 (R-GO-NH2), a kind of amino graphene oxide, was embedded into the polyamide (PA) layer of nanofiltration (NF) composite hollow fiber membranes via interfacial polymerization to enhance the permeate flux and antifouling properties of NF membranes under low pressure conditions. In addition, it could mitigate the poor compatibility issue between graphene oxide materials and PA layer. To evaluate the influence of R-GO-NH2 on the performance of the NF composite hollow fiber membrane, SEM, AFM, FTIR, XPS and Zeta potentials were used to characterize the membranes. The results indicated that the compatibility and interactions between R-GO-NH2 and PA layer were enhanced, which was mainly due to the polymerization reaction between amino groups of R-GO-NH2 and acyl chloride groups of TMC. Therefore, salts rejection of the current membranes was improved significantly, and the modified membranes with 50 mg/L R-GO-NH2 demonstrated highest performance in terms of the rejections, which were 26.9%, 98.5%, 98.1%, and 96.1%, for NaCl, Na2SO4, MgSO4, and CaCl2 respectively. It was found that with the R-GO-NH2 contents rasing from 0 to 50 mg/L, pure water flux increased from 30.44 ± 1.71 to 38.57 ± 2.01 L/(m2.h) at 2 bar. What's more, the membrane demonstrated improved antifouling properties.

  4. Improved Dehydrogenation Properties of 2LiNH2-MgH2 by Doping with Li3AlH6

    Directory of Open Access Journals (Sweden)

    Shujun Qiu

    2017-01-01

    Full Text Available Doping with additives in a Li-Mg-N-H system has been regarded as one of the most effective methods of improving hydrogen storage properties. In this paper, we prepared Li3AlH6 and evaluated its effect on the dehydrogenation properties of 2LiNH2-MgH2. Our studies show that doping with Li3AlH6 could effectively lower the dehydrogenation temperatures and increase the hydrogen content of 2LiNH2-MgH2. For example, 2LiNH2-MgH2-0.1Li3AlH6 can desorb 6.43 wt % of hydrogen upon heating to 300 °C, with the onset dehydrogenation temperature at 78 °C. Isothermal dehydrogenation testing indicated that 2LiNH2-MgH2-0.1Li3AlH6 had superior dehydrogenation kinetics at low temperature. Moreover, the release of byproduct NH3 was successfully suppressed. Measurement of the thermal diffusivity suggests that the enhanced dehydrogenation properties may be ascribed to the fact that doping with Li3AlH6 could improve the heat transfer for solid–solid reaction.

  5. ZnO Nanoparticles/Reduced Graphene Oxide Bilayer Thin Films for Improved NH3-Sensing Performances at Room Temperature.

    Science.gov (United States)

    Tai, Huiling; Yuan, Zhen; Zheng, Weijian; Ye, Zongbiao; Liu, Chunhua; Du, Xiaosong

    2016-12-01

    ZnO nanoparticles and graphene oxide (GO) thin film were deposited on gold interdigital electrodes (IDEs) in sequence via simple spraying process, which was further restored to ZnO/reduced graphene oxide (rGO) bilayer thin film by the thermal reduction treatment and employed for ammonia (NH3) detection at room temperature. rGO was identified by UV-vis absorption spectra and X-ray photoelectron spectroscope (XPS) analyses, and the adhesion between ZnO nanoparticles and rGO nanosheets might also be formed. The NH3-sensing performances of pure rGO film and ZnO/rGO bilayer films with different sprayed GO amounts were compared. The results showed that ZnO/rGO film sensors exhibited enhanced response properties, and the optimal GO amount of 1.5 ml was achieved. Furthermore, the optimal ZnO/rGO film sensor showed an excellent reversibility and fast response/recovery rate within the detection range of 10-50 ppm. Meanwhile, the sensor also displayed good repeatability and selectivity to NH3. However, the interference of water molecules on the prepared sensor is non-ignorable; some techniques should be researched to eliminate the effect of moisture in the further work. The remarkably enhanced NH3-sensing characteristics were speculated to be attributed to both the supporting role of ZnO nanoparticles film and accumulation heterojunction at the interface between ZnO and rGO. Thus, the proposed ZnO/rGO bilayer thin film sensor might give a promise for high-performance NH3-sensing applications.

  6. Improvement of Atomic-Layer-Deposited Al2O3/GaAs Interface Property by Sulfuration and NH3 Thermal Nitridation

    Institute of Scientific and Technical Information of China (English)

    SHI Yu; SUN Qing-Qing; DONG Lin; LIU Han; DING Shi-Jin; ZHANG Wei

    2008-01-01

    Fermi level pinning at the interface between high-k gate dielectric and GaAs induced by unstable native oxides is a major obstacle for high performance GaAs-based metal-oxide-semiconductor (MOS) devices. We demonstrate the improved AI2O3/GaAs interfacial characteristics by (NH4)2S immersion and NH3 thermal pretreatment prior toAl2O3 deposition. X-ray photoelectron spectroscopy (XPS) analysis confirms that sulfuration of GaAs surface by(NH4)2S solution can effectively reduce As-O bonds while Ga-O bonds and elemental As still exist at Al2O3/GaAsinterface. However, it is found that N incorporation during the further thermal nitridation on sulfurated GaAs can effectively suppress the native oxides and elemental As in the sequent deposition of Al2O3. Atomic force microscopy (AFM) shows that the further thermal nitridation on sulfurated GaAs surface can also improve the surface roughness.

  7. ZnO Nanoparticles/Reduced Graphene Oxide Bilayer Thin Films for Improved NH3-Sensing Performances at Room Temperature

    OpenAIRE

    Tai, Huiling; Yuan, Zhen; Zheng, Weijian; Ye, Zongbiao; Liu, Chunhua; Du, Xiaosong

    2016-01-01

    ZnO nanoparticles and graphene oxide (GO) thin film were deposited on gold interdigital electrodes (IDEs) in sequence via simple spraying process, which was further restored to ZnO/reduced graphene oxide (rGO) bilayer thin film by the thermal reduction treatment and employed for ammonia (NH3) detection at room temperature. rGO was identified by UV-vis absorption spectra and X-ray photoelectron spectroscope (XPS) analyses, and the adhesion between ZnO nanoparticles and rGO nanosheets might als...

  8. Colonization and diversification of the Euphorbia species (sect. Aphyllis subsect. Macaronesicae) on the Canary Islands

    Science.gov (United States)

    Sun, Ye; Li, Yanshu; Vargas-Mendoza, Carlos Fabián; Wang, Faguo; Xing, Fuwu

    2016-01-01

    Diversification between islands and ecological radiation within islands are postulated to have occurred in the Euphorbia species (sect. Aphyllis subsect. Macaronesicae) on the Canary Islands. In this study, the biogeographical pattern of 11 species of subsect. Macaronesicae and the genetic differentiation among five species were investigated to distinguish the potential mode and mechanism of diversification and speciation. The biogeographical patterns and genetic structure were examined using statistical dispersal-vicariance analysis, Bayesian phylogenetic analysis, reduced median-joining haplotype network analysis, and discriminant analysis of principal components. The gene flow between related species was evaluated with an isolation-with-migration model. The ancestral range of the species of subsect. Macaronesicae was inferred to be Tenerife and the Cape Verde Islands, and Tenerife-La Gomera acted as sources of diversity to other islands of the Canary Islands. Inter-island colonization of E. lamarckii among the western islands and a colonization of E. regis-jubae from Gran Canaria to northern Africa were revealed. Both diversification between islands and radiation within islands have been revealed in the Euphorbia species (sect. Aphyllis subsect. Macaronesicae) of the Canary Islands. It was clear that this group began the speciation process in Tenerife-La Gomera, and this process occurred with gene flow between some related species. PMID:27681300

  9. The taxonomy of the European species of Hebeloma section Denudata subsections Hiemalia, Echinospora subsect. nov. and Clepsydroida subsect. nov. and five new species

    DEFF Research Database (Denmark)

    Eberhardt, Ursula; Beker, Henry J.; Vesterholt, Jan Hansen;

    2016-01-01

    Hebeloma section Denudata includes the majority of the taxa commonly referred to as the Hebeloma crustuliniforme complex. In a recent paper we described in detail H. subsection Denudata and fifteen European species recognised within this subsection, using morphological and molecular methods. In t...

  10. Performance Improvement of CH3NH3PbI3 Perovskite Solar Cell by CH3SH Doping

    Directory of Open Access Journals (Sweden)

    Hong Li

    2016-03-01

    Full Text Available Organometal halide perovskites have recently emerged as an appealing candidate in photovoltaic devices due to their excellent properties. Therefore, intense efforts have been devoted to find the ideal organics for perovskite solar cells. In response, we investigate the doping effect of CH3SH organic on the structure and related performance of a CH3NH3PbI3 perovskite solar cell, via in situ synchrotron- based grazing incidence X-ray diffraction (GIXRD, together with scanning electron microscopy (SEM. In situ GIXRD investigations clearly illustrated the transformation and modification of the perovskite structure induced by the organic dopant, which subsequently led to the enhance‐ ment of the power conversion efficiency of fabricated solar cells. Notably, nanoporous morphology and nanocrystal‐ line structures were discovered in the perovskite film by SEM; they were also confirmed by the increase in broad‐ ening peaks/features in the GIXRD measurements. Overall, our study may ultimately result in an attractive strategy for the fabrication of high performance perovskite solar cells.

  11. Guangzhou Chemical Industry%Improvement on the Preparation Method of A Complex [ Co(NH3) 5 Cl] Cl2 for Undergraduate Inorganic Chemistry Experiment

    Institute of Scientific and Technical Information of China (English)

    易正戟; 刘洋; 毛芳芳; 崔莺; 陈满生

    2016-01-01

    Preparation of the coordination compound [ Co ( NH3 ) 5 Cl ] Cl2 is an important inorganic synthesis experiment for the undergraduate Inorganic Chemistry course. However,according to the textbook operation, not only the yield of target product was low and some by-products were produced, but also the volatilization of HCl and NH3 would cause atmosphere pollution. Meanwhile, the target coordination compound detection gave rise to the waste of much valuable reagent AgNO3 . On the basis of green chemistry principle, the key procedure and reagent dosage for the undergraduate Inorganic Chemistry experiment’ for preparing a kind of Co(III) complex were improved. Therefore, the reactant amount of AgNO3 was saved, the yield and purity of the coordination product were increased, and the effect of environmental protection was also achieved.%配位化合物[ Co( NH3)5 Cl] Cl2的制备是大学无机化学课程中一个重要的无机合成实验,但按照教材中的步骤进行操作,不但产率低、易生成其它副产物,而且HCl和NH3气体的挥发容易造成大气污染;同时,目标配合物的检测会造成大量贵重试剂AgNO3的浪费。基于绿色化学理念,针对教材中“一种Co( III)配合物的制备”相关的关键步骤和药品用量进行了改进和创新,节省了AgNO3试剂的用量,提高了产品的产率和纯度,同时也达到了环保的效果。

  12. 基于支持向量机的分段线性学习方法%A Subsection Learning Algorithm Based on Support Vector Machines

    Institute of Scientific and Technical Information of China (English)

    杨强; 吴中福; 王茜

    2003-01-01

    In this paper, we discuss drawback of traditional subsection learning algorithm in pattern recognition and exiting support vector machines (including kernel functions), the necessity of using subsection learning algorithm based on support vector machines as well as. In turn, a subsection learning algorithm based on support vector machines, is proposed in this paper.

  13. Fossil records of subsection Pinus (genus Pinus, Pinaceae) from the Cenozoic in Japan.

    Science.gov (United States)

    Yamada, Toshihiro; Yamada, Mariko; Tsukagoshi, Minoru

    2014-03-01

    Extant pines of subsection Pinus (section Pinus, genus Pinus, Pinaceae) are predominantly distributed in Eastern Asia. However, the extent of diversification in the section has yet to be fully clarified. We reviewed fossil records of subsection Pinus from Japan and collected permineralized materials, in which anatomical details are preserved for better understanding of the diversification. Our results suggest that this subsection appeared in Japan no earlier than the Middle Eocene, with extant species (i.e., Pinus densiflora and Pinus thunbergii) appearing around the beginning of the Pleistocene. Pinus fujiii (Early Miocene to Early Pleistocene) is inferred to have a close affinity to P. thunbergii based on the medial arrangement of its leaf resin canals. Additionally, P. fujiii has a similar cone morphology to those of extant species living in China, bridging the morphological gap between P. thunbergii and Chinese relatives of P. thunbergii as inferred by molecular phylogenetic analyses. Our results also suggest that taxonomic revisions of Pinus miocenica and Pinus oligolepis are required among the Japanese fossil species reported to date.

  14. Jet-Cooled Infrared Laser Spectroscopy in the Umbrella νb{2} Vibration Region of NH_3: Improving the Potential Energy Surface Model of the NH_3-Ar Van Der Waals Complex

    Science.gov (United States)

    Asselin, Pierre; Jabri, Atef; Potapov, Alexey; Loreau, Jérome; van der Avoird, Ad

    2017-06-01

    Taking advantage of our sensitive laser spectrometer coupled to a pulsed slit jet, we recorded near the νb{2} vibration a series of rovibrational transitions of the NH_3-Ar van der Waals (vdW) complex. These transitions involve in the ground vibrational state several internal rotor states corresponding to the ortho{NH_3} and para{NH_3} spin modifications of the complex. They are labeled by Σ_{a}(j,k), Σ_{s}(j,k), Π_{a}(j,k) and Π_{s}(j,k) where Σ(K=0) and Π(K=1) indicate the projection K of the total rotational angular momentum J on the vdW axis, the superscripts s and a designate a symmetric or antisymmetric NH_3 inversion wave function, and j, k quantum numbers indicate the correlation between the internal-rotor state of the complex and the j, k rotational state of the free NH_3 monomer. Five bands have been identified, only one of which was partly observed before. They include transitions starting from the Σ_{a}(j=0 or j=1) state without any internal angular momentum, consequently they can be assigned from the band contour of a linear-molecule-like K=0, ΔJ=1 transition. The energies and splittings of the rovibrational levels of the νb{2}=1←0 spectrum derived from the analysis of the Π_{s}, Σ_{s}(j=1)← Σ_{a}(j=0), k=0 bands and mostly of the Σ_{s}, Π_{s} and Σ_{a}(j=1)←Σ_{a}(j=1), k=1 bands bring relevant information about the νb{2} dependence of the NH_3-Ar interaction, the rovibrational dynamics of the NH_3-Ar complex and provide a sensitive test of a recently developed 4D potential energy surface that includes explicitly its dependence on the umbrella motion. P. Asselin, Y. Berger, T. R. Huet, R. Motiyenko, L. Margulès, R. J. Hendricks, M. R. Tarbutt, S. Tokunaga, B. Darquié, PCCP 19, 4576 (2017), G. T. Fraser, A.S. Pine and W. A. Kreiner, J. Chem. Phys. 94, 7061 (1991). J. Loreau, J. Liévin, Y. Scribano and A. van der Avoird, J. Chem. Phys. 141, 224303 (2014).

  15. 非线性静力分析的分段计算法%Subsection calculation method of nonlinear static analysis

    Institute of Scientific and Technical Information of China (English)

    赵峰; 宋少云

    2013-01-01

      The simplified calculation methods of nonlinear static analysis are studied , and subsection method is proposed.At first, the external load is calculated when it is at the yield limit of material , the calculation of external load is divided into two stage.First stage, is to use linear elasticity to calculate a load step .Material nonlinear is calculated after a period of progressive loading .By using traditional method and the subsection method , an automobile handbrake is calculated by ANSYS WORKBENCH simulation platform , and the results show that the computation efficiency is improved by 67%through subsection calculation method at the premise of accuracy .%  对非线性静力分析的简化计算方法进行了研究,提出了分段计算法。先计算出在材料屈服极限时的外力载荷值,据此将外部载荷分为两段进行计算。前一段,使用线弹性计算一个载荷步;后一段逐步加载,进行材料非线性计算。以ANSYS WORKBENCH为仿真平台,分别用传统方法和分段法对某汽车手刹进行了计算,结果表明:在保证精度的前提下,分段计算法将计算效率提高了67%。

  16. Overcoming the Intrinsic Difference between Hydrophilic CH3NH3PbI3 and Hydrophobic C60 Thin Films to Improve the Photovoltaic Performance

    Directory of Open Access Journals (Sweden)

    Lung-Chien Chen

    2017-07-01

    Full Text Available Dimethylformamide/dimethyl sulfoxide solvent mixtures were used as the CH3NH3PbI3 (MAPbI3 precursor solvent in a one-step spin coating method to fabricate smooth and hydrophilic crystalline MAPbI3 thin films on top of hydrophobic carbon-60 (C60 thin film for highly efficient photovoltaics. The structural, optical, and excitonic characteristics of the resultant MAPbI3 thin films were analyzed using X-ray diffraction (XRD, atomic-force microscopy, absorbance spectroscopy, photoluminescence (PL spectrometry, and nanosecond time-resolved PL. There was a trade-off between the crystallinity and surface roughness of the MAPbI3 thin films, which strongly influenced the device performance of MAPbI3-based photovoltaics. The high power conversion efficiency (PCE of 17.55% was achieved by improving the wettability of MAPbI3 precursor solutions on top of the C60 thin films. In addition, it was predicted that the fill factor and PCE could be further improved by increasing the crystallinity of the MAPbI3 thin film while keeping it smooth.

  17. Report on the FY17 Development of Computer Program for ASME Section III, Division 5, Subsection HB, Subpart B Rules

    Energy Technology Data Exchange (ETDEWEB)

    Swindeman, M. J. [Argonne National Lab. (ANL), Argonne, IL (United States); Jetter, R. I. [Argonne National Lab. (ANL), Argonne, IL (United States); Sham, T. -L. [Argonne National Lab. (ANL), Argonne, IL (United States)

    2017-01-01

    One of the objectives of the high temperature design methodology activities is to develop and validate both improvements and the basic features of ASME Boiler and Pressure Vessel Code, Section III, Rules for Construction of Nuclear Facility Components, Division 5, High Temperature Reactors, Subsection HB, Subpart B (HBB). The overall scope of this task is to develop a computer program to aid assessment procedures of components under specified loading conditions in accordance with the elevated temperature design requirements for Division 5 Class A components. There are many features and alternative paths of varying complexity in HBB. The initial focus of this computer program is a basic path through the various options for a single reference material, 316H stainless steel. However, the computer program is being structured for eventual incorporation all of the features and permitted materials of HBB. This report will first provide a description of the overall computer program, particular challenges in developing numerical procedures for the assessment, and an overall approach to computer program development. This is followed by a more comprehensive appendix, which is the draft computer program manual for the program development. The strain limits rules have been implemented in the computer program. The evaluation of creep-fatigue damage will be implemented in future work scope.

  18. Metal-Organic Gel Material Based on UiO-66-NH2 Nanoparticles for Improved Adsorption and Conversion of Carbon Dioxide.

    Science.gov (United States)

    Liu, Liping; Zhang, Jianyong; Fang, Haobin; Chen, Liuping; Su, Cheng-Yong

    2016-08-19

    Metal-organic frameworks (MOFs) including the UiO-66 series show potential application in the adsorption and conversion of CO2 . Herein, we report the first tetravalent metal-based metal-organic gels constructed from Zr(IV) and 2-aminoterephthalic acid (H2 BDC-NH2 ). The ZrBDC-NH2 gel materials are based on UiO-66-NH2 nanoparticles and were easily prepared under mild conditions (80 °C for 4.5 h). The ZrBDC-NH2 -1:1-0.2 gel material has a high surface area (up to 1040 m(2)  g(-1) ) and showed outstanding performance in CO2 adsorption (by using the dried material) and conversion (by using the wet gel) arising from the combined advantages of the gel and the UiO-66-NH2 MOF. The ZrBDC-NH2 -1:1-0.2 dried material showed 38 % higher capture capacity for CO2 at 298 K than microcrystalline UiO-66-NH2 . It showed high ideal adsorbed solution theory selectivity (71.6 at 298 K) for a CO2 /N2 gas mixture (molar ratio 15:85). Furthermore, the ZrBDC-NH2 -1:1-0.2 gel showed activity as a heterogeneous catalyst in the chemical fixation of CO2 and an excellent catalytic performance was achieved for the cycloaddition of atmospheric pressure of CO2 to epoxides at 373 K. In addition, the gel catalyst could be reused over multiple cycles with no considerable loss of catalytic activity. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  19. Subsection method of fatigue design for welded joints treated by ultrasonic peening

    Institute of Scientific and Technical Information of China (English)

    Wang Ting; Wang Dongpo; Huo Lixing; Zhang Yufeng

    2006-01-01

    Concerning the notable difference between the S-N curve slope of welded joints treated by ultrasonic peening treatment (UPT) and that of as-welded joints, the subsection method is put forward for fatigue design of welded joints treated by UPT, using the design method of nominal S-N curves. Results show that, in medium life zone, strength grade of the fatigue design curves for UPT welded joints is two grades higher than that for as-welded joints. Furthermore, in medium life zone, strength grade of the fatigue design curves for UPT welded joints is three grades lower than that in long life zone.Conclusion of the comparison is that as for different joint types in different life zones, fatigue design should be processed according to different S-N curves respectively.

  20. Subsection Evolution in GA for Trajectory Planning of a Space Manipulator

    Directory of Open Access Journals (Sweden)

    Cen Zeng

    2013-05-01

    Full Text Available A free‐floating space manipulator has outstanding advantages and wide application prospects compared with other categories. This paper discusses the concepts and categories of space robots and introduces the current trajectory‐planning algorithm for a space robot and its ground simulation system in the main countries of the world. This paper also constructs a system model for the space manipulator system and gives the kinematic equation of such a manipulator system. A dynamic equation of the manipulatorʹs joints is also developed by using Lagrange equations. Continuous Cartesian trajectory planning is also studied in this paper based on differential kinematical equations and momentum conservation equations. Finally, this paper presents the subsection evolution algorithm in GA to realize the trajectory tracking of a free‐floating space manipulator and a simulation about the free floating space manipulator and its corresponding analyses are given.

  1. Kinetic improvement on the CaH{sub 2}-catalyzed Mg(NH{sub 2}){sub 2} + 2LiH system

    Energy Technology Data Exchange (ETDEWEB)

    Torre, Francesco; Valentoni, Antonio [Department of Chemistry and Pharmacy, University di Sassari and INSTM, Via Vienna 2, I-07100 Sassari (Italy); Milanese, Chiara [Pavia Hydrogen Lab, Dipartimento di Chimica, Sezione di Chimica Fisica, Università di Pavia, V.le Taramelli 16, 27100 Pavia (Italy); Pistidda, Claudio [Institute of Materials Research, Materials Technology, Helmholtz-Zentrum Geesthacht, Max-Planck, Str. 1, D-21502 Geesthacht (Germany); Marini, Amedeo [Pavia Hydrogen Lab, Dipartimento di Chimica, Sezione di Chimica Fisica, Università di Pavia, V.le Taramelli 16, 27100 Pavia (Italy); Dornheim, Martin [Institute of Materials Research, Materials Technology, Helmholtz-Zentrum Geesthacht, Max-Planck, Str. 1, D-21502 Geesthacht (Germany); Enzo, Stefano; Mulas, Gabriele [Department of Chemistry and Pharmacy, University di Sassari and INSTM, Via Vienna 2, I-07100 Sassari (Italy); Garroni, Sebastiano, E-mail: sgarroni@uniss.it [Department of Chemistry and Pharmacy, University di Sassari and INSTM, Via Vienna 2, I-07100 Sassari (Italy)

    2015-10-05

    Highlights: • We studied the effect of CaH{sub 2} on the dehydrogenation of the Mg(NH{sub 2}){sub 2}–2LiH system. • Mg(NH{sub 2}){sub 2} was obtained by gas–solid reaction with a significant conversion degree. • Kissinger analysis revealed that addition of CaH{sub 2} decreased the activation energy. - Abstract: In the present work we focused on the catalytic effect of CaH{sub 2} on the dehydrogenation process of the Mg(NH{sub 2}){sub 2}–2LiH system. The synthesis, hydrogen storage properties and energy barriers were investigated by X-ray diffraction (XRD), temperature-programmed desorption (TPD) and differential scanning calorimetry (DSC). The TPD measurements proved that desorption of the Mg(NH{sub 2}){sub 2}–2LiH system milled with 0.08 mol of CaH{sub 2} started at temperature of 78 °C, lower if compared with the 125 °C observed in the pristine material. Furthermore, Kissinger analysis revealed that CaH{sub 2} acted as a catalyst to decrease the activation energy of the first dehydrogenation step from a value of 133.8 ± 4.1 kJ/mol for the pristine material to 105.1 ± 3.2 kJ/mol when CaH{sub 2} was dispersed into the mixture.

  2. Taxonomic revision of the tropical African group of Carex subsect. Elatae (sect. Spirostachyae, Cyperaceae

    Directory of Open Access Journals (Sweden)

    Escudero, Marcial

    2011-12-01

    Full Text Available The tropical African monophyletic group of Carex subsect. Elatae (sect. Spirostachyae is distributed in continental tropical Africa, Madagascar, the Mascarene archipelago, and Bioko Island (32 km off the coast of West Africa, in the Gulf of Guinea. The first monographic treatment of this Carex group, as well as of the tribe Cariceae, was published by Kükenthal (as sect. Elatae Kük.. Recently, the first molecular (nrDNA, cpDNA phylogeny of Carex sect. Elatae has been published, which also included the species of sect. Spirostachyae. In the resulting consensus trees, most species of sect. Elatae were embedded within core Spirostachyae and so this section was joined with sect. Spirostachyae as subsect. Elatae. Within subsect. Elatae, several groups were described, one of which was termed the “tropical African group”. Here we present a taxonomic revision of this group, based on more than 280 vouchers from 29 herbaria as well as in field trips in Tropical Africa. In the revision, we recognise 12 species (16 taxa within the tropical African group, and so have somewhat modified our previous view, in which 10 species, 12 taxa were listed. One new species from Tanzania is included in this treatment, C. uluguruensis Luceño & M. Escudero. Several combinations are made, C. cyrtosaccus is treated as a synonym of C. vallis-rosetto and, finally, the binomial C. greenwayi has been recognised.Las especies de la subsección Elatae (sección Spirostachyae del género Carex que se distribuyen por África tropical continental, Madagascar, el archipiélago de las Mascareñas y la isla de Bioko (a 32 km del litoral de África occidental, en el golfo de Guinea forman un grupo monofilético. El primer tratamiento taxonómico de este grupo de cárices, así como de la tribu Cariceae en su conjunto, fue elaborado por Kükenthal (sección Elatae Kük.; recientemente, se ha publicado el primer estudio de filogenia molecular (nrDNA, cpDNA de los táxones de este grupo

  3. Notes on Elaphoglossum (Lomariopsidaceae section Polytrichia subsection Hybrida in Mexico and Central America

    Directory of Open Access Journals (Sweden)

    Alexander Fco. Rojas-Alvarado

    2003-03-01

    Full Text Available In Elaphoglossum sect. Polytrichia subsect. Hybrida six new species are described: E. angustiob-longum A. Rojas, E. baquianorum A. Rojas, E. cotoi A. Rojas, E. jinoteganum A. Rojas, E. neeanum A. Rojas and E. silencioanum A. Rojas. New combination is made for Elaphoglossum mexicanum (E. Fourn. A. Rojas. Two species are reported: E. barbatum (H. Karst. Hieron. and E. scolopendrifolium (Raddi J. Sm. Two species are redefined: E. erinaceum (Fée T. Moore and E. tambillense (Hook. T. Moore. E. pallidum (Baker ex Jenman C. Chr. Is eliminated for Mexico and Central America. Of the new species only E. neeanum is present outside of the region. A key is given to those species in Mexico and Central America.Seis especies nuevas son descritas: Elaphoglossum angustioblongum A. Rojas, E. baquianorum A. Rojas, E. cotoi A. Rojas, E. jinoteganum A. Rojas, E. neeanum A. Rojas y E. silencioanum A. Rojas. La especie Elaphoglossum mexicanum (E. Fourn. A. Rojas es combinada; las especies E. barbatum (H. Karst. Hieron. y E. scolopendrifolium (Raddi J. Sm. son registradas; además, E. erinaceum (Fée T. Moore y E. tambillense (Hook. T. Moore son redefinidas, y E. pallidum (Baker ex Jenman C. Chr. no se distribuye en México y Centroamérica. De las especies nuevas sólo E. neeanum se encuentra fuera de la región. Se proporciona una clave para reconocer las especies de México y Centro América.

  4. Hair types in Polish selected taxa of Potentilla subsect. Collinae (Rosaceae

    Directory of Open Access Journals (Sweden)

    Jeremi Kołodziejek

    2011-01-01

    Full Text Available Leaf hair types in Polish selected taxa from Potentilla subsect. Collinae Juz., i.e. P. collina Wibel s.str., P. silesiaca Uechtr. P. thyrsiflora Hillsen ex Zimmeter, P. wimanniana Gilnther and Schummel, P. leucopolitana P.J. Milller and P. leucopolitana P.J. Milller x P. incana P. Graebner were studied. A total of five unicellular hair types could be distinguished, based on the structure of the hair: straight, involuted, crispate, curved and stellate. The occurrence of involuted, curved and stellate hairs was observed for the first time for the majority of investigated taxa. There is a variation in density, position, as well as in the number of arms of stellate hairs. Although they are difficult to see without a stereo microscope, these differences seem to be systematically important. The study of hair types on surfaces of leaves supports the opinion that P. collina s.lato is a hybrid between P. argentea L. s.la-to, P. tabernaemontani Ascherson and P. incana P. Gaertner. Hairs form consistent characters which are highly suited for systematic purposes. The key to Polish taxa based on leaf hair types is given as well.

  5. Simulation and Analysis of Cement Clinker Subsection Firing%水泥熟料分段烧成模拟分析

    Institute of Scientific and Technical Information of China (English)

    封培然; 邢文杰; 齐砚勇

    2011-01-01

    By establishing the calculation of the mathematical model of NSP cement rotary kiln burning zone temperature ( BZT), this paper computed two types of different cement kiln BZT, analyzed two types of different kiln temperature distribution, then put forward the idealized burn clinker piecewise model. The study shows that short kiln in transitional zone has ordinary kiln type temperature gradient approximately 8 times, but in the burning zone both almost have no temperature change and subsection firing still have 15℃ heats up. Therefore subsection firing a has good clinker reaction temperature environment, which is beneficial to improving the quality of clinker.%通过建立新型干法水泥回转窑烧成带温度计算的数学模型,计算出两种不同水泥窑型的烧成带温度,分析了两种不同窑型的温度分布,进而提出熟料分段烧成的理想化模型。研究发现:短窑在过渡带具有普通窑型约8倍的温度梯度,但是在烧成带两者几乎没有温度变化,而分段烧成依然有15℃的升温,因此分段烧成具有良好的熟料反应温度环境,有利于熟料质量的提高。

  6. Improved low temperature NH3-SCR performance of FeMnTiO(x) mixed oxide with CTAB-assisted synthesis.

    Science.gov (United States)

    Wu, Shiguo; Yao, Xiaojiang; Zhang, Lei; Cao, Yuan; Zou, Weixin; Li, Lulu; Ma, Kaili; Tang, Changjin; Gao, Fei; Dong, Lin

    2015-02-25

    FeMnTiOx mixed oxide is prepared by the CTAB-assisted co-precipitation method, and the transformation of anatase into rutile is inhibited by CTAB to some extent. The catalyst obtained in the present work shows nearly 100% NO conversion at 100-350 °C, more than 80% N2 selectivity at 75-200 °C, and excellent H2O durability for the selective catalytic reduction of NO by NH3 with a space velocity of 30,000 mL g(-1) h(-1).

  7. Credible evidence for the passivation effect of remnant PbI2 in CH3NH3PbI3 films in improving the performance of perovskite solar cells

    Science.gov (United States)

    Wang, Shimao; Dong, Weiwei; Fang, Xiaodong; Zhang, Qingli; Zhou, Shu; Deng, Zanhong; Tao, Ruhua; Shao, Jingzhen; Xia, Rui; Song, Chao; Hu, Linhua; Zhu, Jun

    2016-03-01

    The role of remnant PbI2 in CH3NH3PbI3 films is still controversial, some investigations have revealed that the remnant PbI2 plays a passivation role, reduces the charge recombination in perovskite solar cells (PSCs), and improves the performance of PSCs, but the opposing views state that remnant PbI2 has no passivation effect and it would deteriorate the stability of the devices. In our investigation, the CH3NH3PbI3 films have been prepared by a two-step spin-coating method and the content of the remnant PbI2 in CH3NH3PbI3 films has been tuned by varying the preparation temperature. It has been found that increasing the heating temperature could increase the coverage of spin-coated PbI2 films, which has led to high coverage CH3NH3PbI3 films and more remnant PbI2 in CH3NH3PbI3 films, and as a result, the performance of PSCs was enhanced obviously and the maximum power conversion efficiency of 14.32 +/- 0.28% was achieved by the PSCs prepared at 130/120 °C (PbI2 films were heated at 130 °C and CH3NH3PbI3 films were heated at 120 °C). Furthermore, the dark current, electrochemical impedance spectroscopy and time-resolved fluorescence emission decay measurements revealed that the charge recombination in PSCs has been gradually suppressed and the fluorescence emission lifetime has gradually increased with the content of remnant PbI2 increasing. Thus, the passivation effects of the unreacted and decomposed PbI2 in improving the performance of PSCs have been confirmed unquestionably.The role of remnant PbI2 in CH3NH3PbI3 films is still controversial, some investigations have revealed that the remnant PbI2 plays a passivation role, reduces the charge recombination in perovskite solar cells (PSCs), and improves the performance of PSCs, but the opposing views state that remnant PbI2 has no passivation effect and it would deteriorate the stability of the devices. In our investigation, the CH3NH3PbI3 films have been prepared by a two-step spin-coating method and the

  8. (NH4)2SiF6预处理改善SBA-15介孔材料的水热稳定性%Improving the Hydrothermal Stability of Mesoporous Silica SBA-15by Pre-treatment with (NH4)2SiF6

    Institute of Scientific and Technical Information of China (English)

    宋明娟; 邹成龙; 牛国兴; 赵东元

    2012-01-01

    (NH4)2SiF6预处理可对SBA-15介孔材料的表面缺陷进行补硅修正以及表面疏水化,从而明显改善SBA-15材料的水热稳定性.结果表明,用摩尔分数为5%的(NH4)2SiF6水溶液,按引入1%的SiO2计量对SBA-15进行处理后,其水热稳定性明显改善,在100℃沸水中处理14d,或在800℃下用100%水蒸气处理12h后,均保持较好的介观有序度、形貌及六方孔道结构,比表面积分别高达310和213 m2/g,但(NH4)2SiF6处理量过高,SBA-15水热稳定性反而下降.%The hydrothermal stability of the mesoporous silica material SBA-15 was improved by a pre-treatment of 5 mol% ammonium hexafluorosilicate solution with 1 mol% SiO2 ratio of (NH4)2SiF6 and SBA-15. The modified SBA-15 kept its ordered meso-structure well even when kept under boiling water for 14 d or 100 % H2O stream at 800 ℃ for 12 h, and still had BET surface areas as high as 310 and 213 m2/g, respectively, after these treatments. The possible reasons for the stabilization were that the surface defects of SBA-15 were partially repaired by silicon insertion and some silicon hydroxyls were replaced by F- ions. Larger amounts of ammonium hexafluorosilicate did not give more stabilization.

  9. Taxonomical and nomenclatural notes on Centaurea: A proposal of classification, a description of new sections and subsections, and a species list of the redefined section Centaurea

    Directory of Open Access Journals (Sweden)

    Hilpold, A.

    2014-12-01

    Full Text Available In this paper, we summarize the results of our long-date research on the genus Centaurea. The first part of the paper deals with the overall classification of the genus, which we propose to divide into three subgenera: subgenus Centaurea, subgenus Cyanus and subgenus Lopholoma. The second part of this publication gives a recopilation of the species of the redefined section Centaurea, a group that includes former sections Acrolophus (sect. Centaurea s. str., Phalolepis and Willkommia, together with taxonomical, geographical, ecological and karyological considerations. Finally, new descriptions or nomenclatural combinations are proposed to correlate nomenclature to the new classification: a new combination (sect. Acrocentron subsect. Chamaecyanus is proposed in subgenus Lopholoma; three new sections (sects. Akamantis, Cnicus, and Hyerapolitanae are described in subgenus Centaurea; two subsections (subsects. Phalolepis and Willkommia in sect. Centaurea; and three subsections (subsects. Exarata, Jacea, and Subtilis in sect. Phrygia.En este trabajo presentamos los resultados de nuestras investigaciones de larga fecha en el género Centaurea. La primera parte del trabajo trata de la clasificación del género, que proponemos dividir en tres subgéneros: subgénero Centaurea, subgénero Cyanus y subgénero Lopholoma. La segunda parte es una recopilación de las especies de la redefinida sección Centaurea, que incluye las antiguas secciones Acrolophus (sect. Centaurea s. str., Phalolepis y Willkommia, junto con consideraciones geográficas, ecológicas y cariológicas. Por último, proponemos nuevas secciones, subsecciones y combinaciones para correlacionar nomenclatura y clasificación: proponemos una nueva (sect. Acrocentron subsect. Chamaecyanus en el subgénero Lopholoma; se describen tres secciones nuevas (sects. Akamantis, Cnicus y Hyerapolitanae en el subgénero Centaurea; dos subsecciones (subsects. Phalolepis and Willkommia en la secci

  10. POLLEN AND SEED SURFACE MORFOLOGY IN SOME REPRESENTATIVES OF THE GENUS RHODODENDRON SUBSECT. RHODORASTRUM (ERICACEAE IN THE RUSSIAN FAR EAST

    Directory of Open Access Journals (Sweden)

    I. M. Koksheeva

    2015-05-01

    Full Text Available Comparative study of pollen and seed morphology of three species of Rhododendron L. subsect. Rhodorastrum (Maxim. Cullen (Rh. dauricum L., Rh. mucronolatum Turcz., Rh. sichotense Pojark. is performed. Results of discriminant analysis of the total of morphometric characters of pollen and seeds have proved the distinctness of all three species from each other. Differences of polen are observed in the type of sculpture (granulate, rugulate, microrugulate and in the diameter of tetrads. The coefficient of elongation of the exotesta cells is established as a valuable morphometric character

  11. Observation of curative effect of the subsection gradient treatment on the children with spastic cerebral palsy%分段梯度治疗对痉挛型脑瘫的效果观察

    Institute of Scientific and Technical Information of China (English)

    常崇旺; 吴玉燕; 耿宁; 王学廉

    2011-01-01

    目的 探讨分段梯度疗法对痉挛型脑瘫(SCP)的疗效.方法 将2007年2月至2009年2月收治的、符合入选标准的SCP患者配对入组并随机分为梯度治疗组和常规治疗组,共34对病例;分别给予分段梯度疗法和常规疗法治疗;治疗前和治疗后6个月进行脑瘫分项功能、脑瘫痉挛临床分项、肌力及总体疗效评估.结果 梯度治疗组术后6个月脑瘫分项功能评分如卧姿、立姿、步姿及蹲立变换等明显优于常规治疗组(P<0.05);两组术后6个月肌张力和肌力评分均较术前有显著改善(P<0.05),且梯度治疗组术后6个月肌张力和肌力评分均优于常规治疗组(P<0.05);梯度治疗组的疗效为"优"患者百分比明显高于常规治疗组(P<0.05).结论 分段梯度疗法可有效提高SCP患者的疗效.%Objective To explore the curative effects of the subsection gradient treatment on the children with spastic cerebral palsy (SCP). Methods Sixty-eight children with SCP were randomly divided into the routine treatment (control) group and subsection gradient treatment (observed) group after they were paired according to the their age, sex and disease condition. The children received the subsection gradient treatment including selective posterior rhizotomy (SPR), subsection rehabilitation treatment abnd so on in the observed group. The curative effect was assessed by cerebral palsy (CP) subentry function, clinical subentry assessment for CP spasm, myodynamia and muscular tension before the treatment and 6 months after the treatment. Results The Postoperation CP subentry function in the prone posture, standing posture, gait, and shifting from squatting position to standing position was significantly better in the observed group than that in the control group (P<0.05). The muscular tension and myodynamia were significantly improved after the treatment compared to those before the treatment in both the groups (P<0.05). The muscular tension and

  12. Morphological characteristics of the seeds of species from subsection Heterophylla (Nym. Fed. of the genus Campanula L. in the flora of Ukraine

    Directory of Open Access Journals (Sweden)

    N.G. Dremliuga

    2016-06-01

    Full Text Available The morphological peculiarities of seeds in four species (Campanula rotundifolia, С. kladniana, С. polymorpha, С. serrata from subsection Heterophylla (Nym. Fed. in the flora of Ukraine were studied. Both common (size, lack of pubescence and appendages, shine, brown colour and specific (sizes, shape, ultrastructure of the surface features have been revealed.

  13. 31 CFR Appendix A to Subpart H of... - Notice for Purposes of Subsection 314(b) of the USA Patriot Act and 31 CFR 103.110

    Science.gov (United States)

    2010-07-01

    ... 31 Money and Finance: Treasury 1 2010-07-01 2010-07-01 false Notice for Purposes of Subsection 314(b) of the USA Patriot Act and 31 CFR 103.110 A Appendix A to Subpart H of Part 103 Money and Finance... 314(b) of the USA Patriot Act and 31 CFR 103.110 ER26SE02.014...

  14. Aquaporin 4 as a NH3 Channel

    DEFF Research Database (Denmark)

    Assentoft, Mette; Kaptan, Shreyas; Schneider, Hans-Peter

    2016-01-01

    that the ionic NH4 (+) did not permeate AQP4. Molecular dynamics simulations revealed partial pore permeation events of NH3 but not of NH4 (+) and a reduced energy barrier for NH3 permeation through AQP4 compared with that of a cholesterol-containing lipid bilayer, suggesting AQP4 as a favored transmembrane...... route for NH3 Our data propose that AQP4 belongs to the growing list of NH3-permeable water channels....

  15. TKS-Vega experiment - NH and NH2 bands in Comet Halley

    Energy Technology Data Exchange (ETDEWEB)

    Krasnopol' skii, V.A.; Tkachuk, A.IU. (AN SSSR, Institut Kosmicheskikh Issledovanii, Moscow (USSR))

    1991-05-01

    An analysis is conducted of the March 9, 1986 distribution of the NH 336-nm band and the NH2 bands in the 580-700 nm region on Comet Halley. Of all candidates considered, only ammonia suggests itself as a parent of both NH2 and NH. The ammonia production rate is obtained from measurements of NH2 bands by dividing the observed Q(NH2) by 0.92, which is the yield of NH2 in NH3 photolysis. The NH3 presently measured is an order of magnitude lower than that derived from the Giotto IMS data. 28 refs.

  16. THE SUBSECTION FOR SIGHTLESS PEOPLE IN “ANASTASIE FĂTU” BOTANIC GARDEN, “ALEXANDRU IOAN CUZA” UNIVERSITY OF IASI

    Directory of Open Access Journals (Sweden)

    STĂNESCU IRINA-ELENA

    2009-12-01

    Full Text Available The Subsection for Sightless People belongs to the Ornamental Section and started in the autumn of 1991. In 2008 we tried to reorganize this subsection, first of all by enriching the collection of species exposed to the visitors, introducing a new model of labels and using especial props for the plants. Many species from Lamiaceae family have been chosen, characterized by a high level of essential oils, volatile phenolic compounds, alkaloids, balsams, tannins, liberating strong-scented odors, which facilitate their recognition by the sightless persons. At the same time, a lot of Asteraceae species are displayed, while in the autumn the sightless people enjoy the numerous chrysanthemum varieties from the Botanic Garden’s collection. All of the specimens bear labels with information in Latin and Braille System.

  17. Cold and ultracold NH--NH collisions in magnetic fields

    CERN Document Server

    Janssen, Liesbeth M C; van der Avoird, Ad; Groenenboom, Gerrit C; Hutson, Jeremy M

    2010-01-01

    Elastic and spin-changing inelastic collision cross sections are presented for cold and ultracold magnetically trapped NH. The cross sections are obtained from coupled-channel scattering calculations as a function of energy and magnetic field. We specifically investigate the influence of the intramolecular spin-spin, spin-rotation, and intermolecular magnetic dipole coupling on the collision dynamics. It is shown that $^{15}$NH is a very suitable candidate for evaporative cooling experiments. The dominant trap-loss mechanism in the ultracold regime originates from the intermolecular dipolar coupling term. At higher energies and fields, intramolecular spin-spin coupling becomes increasingly important. Our qualitative results and conclusions are fairly independent of the exact form of the potential and of the size of the channel basis set.

  18. Ecological Subsections of Minnesota

    Data.gov (United States)

    Minnesota Department of Natural Resources — This coverage provides information for the third level of the Ecological Classification System. The boundaries of the polygons of this coverage were derived from...

  19. IMPROVING THE TOLERANCE OF Vicia faba AGAINST ENVIRONMENTAL SALINITY RESULTED FROM THE IRRIGATION WITH SEA WATER BY USING KNO3 AND (NH42SO4 AS CHEMICAL OSMOREGULATORS Mejoramiento de la tolerancia de Vicia faba a salinidad ocasionada por irrigación con agua de mar usando KNO3 AND (NH42SO4 como osmoreguladores químicos

    Directory of Open Access Journals (Sweden)

    KAMEL MOHAMED

    2012-05-01

    Full Text Available The familiar solutes, Na+, K+, Ca2+, Mg2+, Cl-, PO4(3-, SO4(2-, soluble carbohydrates, amino acids and soluble proteins, which play a role in osmotic adjustment were estimated to investigate the role of potassium nitrate and ammonium sulphate as osmoregulators and their effects on the solutes composition. Vicia faba L. was cultivated and irrigated with 5, 10, 15 and 20 % (v:v sea water. The plants were divided to three groups. The first was irrigated with sea water only. The second was treated with 5 mM KNO3 while the third was treated with 5mM (NH42SO4. The plants were left to grow until flowering stage. The results indicated that the non treated group increased the soluble carbohydrates in the roots to avoid the influx of sodium. The treatment with KNO3 decreased the sodicity (SAR while (NH42SO4 treatment decreased the SK:Na value in the shoots at higher salinity. The availability of nitrogen as nitrate or ammonium ions enhances the accumulation of soluble carbohydrates in shoots. The plants of all groups were depended on Ca2+, as compatible solute more than Na+, and K+.Los solutos Na+, K+, Ca2+, Mg2+, Cl-, PO4(3-, SO4(2-, carbohidratos y proteínas solubles, así como amino ácidos son importantes en ajuste osmótico y fueron estimados para determinar el papel de nitrato de potasio y sulfato de amonio como osmoreguladores y su efecto en la composición de solutos. Vicia faba L. fue cultivada e irrigada con 5, 10, 15 y 20 % (v:v de agua de mar permitiendo crecimiento hasta el estado de floración. Las plantas fueron divididas en tres grupos. El primero fue irrigado con agua de mar solamente. El segundo fue tratado con 5 mM KNO3, mientras que el tercer grupo fue expuesto a 5mM (NH42SO4. Los resultados indican que las plantas del primer grupo (no tratado incrementan carbohidratos solubles en sus raíces para evitar influjo de sodio. El tratamiento con KNO3 disminuye riqueza de sodio (SAR mientras que la exposición a (NH42SO4 diminuye la de SK

  20. Determining the storage, availability and reactivity of NH3 within Cu-Chabazite-based Ammonia Selective Catalytic Reduction systems.

    Science.gov (United States)

    Lezcano-Gonzalez, I; Deka, U; Arstad, B; Van Yperen-De Deyne, A; Hemelsoet, K; Waroquier, M; Van Speybroeck, V; Weckhuysen, B M; Beale, A M

    2014-01-28

    Three different types of NH3 species can be simultaneously present on Cu(2+)-exchanged CHA-type zeolites, commonly used in Ammonia Selective Catalytic Reduction (NH3-SCR) systems. These include ammonium ions (NH4(+)), formed on the Brønsted acid sites, [Cu(NH3)4](2+) complexes, resulting from NH3 coordination with the Cu(2+) Lewis sites, and NH3 adsorbed on extra-framework Al (EFAl) species, in contrast to the only two reacting NH3 species recently reported on Cu-SSZ-13 zeolite. The NH4(+) ions react very slowly in comparison to NH3 coordinated to Cu(2+) ions and are likely to contribute little to the standard NH3-SCR process, with the Brønsted groups acting primarily as NH3 storage sites. The availability/reactivity of NH4(+) ions can be however, notably improved by submitting the zeolite to repeated exchanges with Cu(2+), accompanied by a remarkable enhancement in the low temperature activity. Moreover, the presence of EFAl species could also have a positive influence on the reaction rate of the available NH4(+) ions. These results have important implications for NH3 storage and availability in Cu-Chabazite-based NH3-SCR systems.

  1. Influences of the (NH2)2CO concentration on magnetic photocatalytic composites

    Science.gov (United States)

    Liŭ, Dan; Li, Ziheng; Wang, Wenquan; Liú, Dan; Wang, Guoqiang; Lin, Junhong; He, Yingqiao; Li, Xiangru

    2016-11-01

    Magnetic photocatalytic Fe3O4@TiO2 composites have been fabricated by changing the concentration of (NH2)2CO. Samples were named as low (NH2)2CO concentration group which the (NH2)2CO concentration in the synthesis process was below 2.25 mol/L and high (NH2)2CO concentration group which the (NH2)2CO concentration was above 2.5 mol/L. Photocatalytic degradation experiments of methyl orange showed that the final degradation rates of low (NH2)2CO concentration group samples were higher than that of high (NH2)2CO concentration group, even better than P25 at the same test conditions. And it was interesting that samples of low (NH2)2CO concentration group had smaller values of BET surface areas than that of high (NH2)2CO concentration group. It indicated that the improvement of photocatalytic activity which was effected by BET surface areas was not obvious. There were two main factors enhancing the photocatalytic property of low (NH2)2CO concentration group: First, diffusing reflection spectra showed that the low (NH2)2CO concentration group samples had lower reflectivity, this suggested that the structure improved the efficiency of light absorption; Second, NH4+ would take up the active sites on the surface of the TiO2 particles, the FT-IR test results showed that the samples of the low (NH2)2CO concentration group samples bonded less NH4+, thus leading to the higher photocatalytic activity. It had enlightenment role for optimizing the performance of photocatalytic materials.

  2. Conversion efficiency improvement of inverted CH{sub 3}NH{sub 3}PbI{sub 3} perovskite solar cells with room temperature sputtered ZnO by adding the C{sub 60} interlayer

    Energy Technology Data Exchange (ETDEWEB)

    Lai, Wei-Chih, E-mail: weilai@mail.ncku.edu.tw; Chen, Peter [Department of Photonics, National Cheng Kung University, Tainan 70101, Taiwan (China); Advanced Optoelectronic Technology Center, National Cheng Kung University, Tainan 70101, Taiwan (China); Lin, Kun-Wei; Wang, Yuan-Ting [Department of Photonics, National Cheng Kung University, Tainan 70101, Taiwan (China); Guo, Tzung-Fang, E-mail: guotf@mail.ncku.edu.tw [Department of Photonics, National Cheng Kung University, Tainan 70101, Taiwan (China); Advanced Optoelectronic Technology Center, National Cheng Kung University, Tainan 70101, Taiwan (China); Research Center for Energy Technology and Strategy, National Cheng Kung University, Tainan 70101, Taiwan (China)

    2015-12-21

    We have demonstrated the performance of inverted CH{sub 3}NH{sub 3}PbI{sub 3} perovskite-based solar cells (SCs) with a room temperature (RT) sputtered ZnO electron transport layer by adding fullerene (C{sub 60}) interlayer. ZnO exhibits a better matched conduction band level with perovskite and Al work function and around energy offset of 2.2 eV between highest occupied molecular orbital level of CH{sub 3}NH{sub 3}PbI{sub 3} perovskite and valance band level of ZnO. However, the CH{sub 3}NH{sub 3}PbI{sub 3} perovskite layer will be damaged during direct RT sputtering deposition of ZnO. Therefore, the C{sub 60} interlayer having matched conduction band level with ZnO and CH{sub 3}NH{sub 3}PbI{sub 3} perovskite added between the CH{sub 3}NH{sub 3}PbI{sub 3} perovskite and RT sputtered ZnO layers for protection prevents sputtering damages on the CH{sub 3}NH{sub 3}PbI{sub 3} perovskite layer. The short-circuit current density (J{sub SC}, 19.41 mA/cm{sup 2}) and open circuit voltage (V{sub OC}, 0.91 V) of the SCs with glass/ITO/poly(3,4-ethylenedioxythiophene):poly(styrene-sulfonate) (PEDOT:PSS)/perovskite/C{sub 60}/RT sputtered ZnO/Al structure is higher than the J{sub SC} (16.23 mA/cm{sup 2}) and V{sub OC} (0.90 V) of the reference SC with glass/ITO/PEDOT:PSS/perovskite/C{sub 60}/bathocuproine (BCP)/Al structure. Although the SCs with the former structure has a lower fill factor (FF%) than the SCs with the latter structure, its conversion efficiency η% (10.93%) is higher than that (10.6%) of the latter.

  3. A liquid-based eutectic system: LiBH4·NH 3-nNH3BH3 with high dehydrogenation capacity at moderate temperature

    KAUST Repository

    Tan, Yingbin

    2011-01-01

    A novel eutectic hydrogen storage system, LiBH4·NH 3-nNH3BH3, which exists in a liquid state at room temperature, was synthesized through a simple mixing of LiBH 4·NH3 and NH3BH3 (AB). In the temperature range of 90-110 °C, the eutectic system showed significantly improved dehydrogenation properties compared to the neat AB and LiBH 4·NH3 alone. For example, in the case of the LiBH4·NH3/AB with a mole ratio of 1:3, over 8 wt.% hydrogen could be released at 90 °C within 4 h, while only 5 wt.% hydrogen released from the neat AB at the same conditions. Through a series of experiments it has been demonstrated that the hydrogen release of the new system is resulted from an interaction of AB and the NH3 group in the LiBH4·NH3, in which LiBH4 works as a carrier of ammonia and plays a crucial role in promoting the interaction between the NH3 group and AB. The enhanced dehydrogenation of LiBH 4·NH3/AB may result from the polar liquid state reaction environments and the initially promoted formation of the diammoniate of diborane, which will facilitate the B-H⋯H-N interaction between LiBH4·NH3 and AB. Kinetics analysis revealed that the rate-controlling steps of the dehydrogenation process are three-dimensional diffusion of hydrogen at temperatures ranging from 90 to 110 °C. This journal is © The Royal Society of Chemistry.

  4. Li-5(BH4)(3)NH

    DEFF Research Database (Denmark)

    Wolczyk, Anna; Paik, Biswajit; Sato, Toyoto

    2017-01-01

    = 7.0474(2) angstrom at 77 degrees C. The crystal structure of Lis(BH4)(3)NH has been solved in space group Pnma, and refined coupling density functional theory (DFT) and synchrotron radiation X-ray powder diffraction data have been obtained for a 3LiBH(4):2Li(2)NH ball-milled and annealed sample...

  5. Effective participation of Li4(NH2)3BH4 in the dehydrogenation pathway of the Mg(NH2)2-2LiH composite.

    Science.gov (United States)

    Amica, G; Cova, F; Arneodo Larochette, P; Gennari, F C

    2016-07-21

    Lithium fast-ion conductors have shown positive effects on the hydrogen storage properties of the Li-Mg-N-H system. In the present work, Li4(NH2)3BH4 doped Mg(NH2)2-2LiH was formed by milling the 2LiNH2-MgH2-0.2LiBH4 composite and posterior annealing under hydrogen pressure to reduce the kinetic barrier of the Li-Mg-N-H system. The effect of repetitive dehydrogenation/rehydrogenation cycles on the kinetic and thermodynamic performance was evaluated. The dehydrogenation rate in the doped composite was twice that in the un-doped sample at 200 °C, while hydrogenation was 20 times faster. The activation energy decreases by 9% due to the presence of Li4(NH2)3BH4 compared to the un-doped composite, evidencing its catalytic role. The presence of Li4(NH2)3BH4 in the composite stabilized the hydrogen storage capacity after successive sorption cycles. Thermodynamic studies revealed a variation in the pressure composition isotherm curves between the first dehydrogenation cycle and the subsequent. The Li4(NH2)3BH4 doped composite showed a sloped plateau region at higher equilibrium pressure in regard to the flat plateau of the un-doped composite. Detailed structural investigations revealed the effective influence of Li4(NH2)3BH4 in different reactions: the irreversible dehydrogenation in the presence of MgH2 and the reversible hydrogen release when it reacts with Li2Mg2(NH)3. The role of Li4(NH2)3BH4 in improving the dehydrogenation kinetics is associated with the weakening of the N-H bond and the mobile small ion mass transfer enhancement.

  6. Nanoscale structural characterization of Mg(NH3)6Cl2 during NH3 desorption

    DEFF Research Database (Denmark)

    Jacobsen, Hjalte Sylvest; Hansen, Heine Anton; Andreasen, Jens Wenzel

    2007-01-01

    Complex metal hydrides progressively display improved hydrogen storage capacity, but they are still far from fulfilling the requirements of the transport sector. Recently, indirect storage of hydrogen as ammonia in Mg(NH3)(6)Cl-2 has shown impressive capacity and reversibility. Here, we present...... an in situ nanoscale structural characterization of the thermal decomposition of Mg(NH3)(6)Cl-2 using small angle X-ray scattering (SAXS). We observe the growth of polydisperse spherical Mg(NH3)(2)Cl-2 crystallites forming a skeletal structure, the subsequent agglomeration of MgCl2 and formation...

  7. Design of multi-shell Fe2O3@MnOx@CNTs for the selective catalytic reduction of NO with NH3: improvement of catalytic activity and SO2 tolerance

    Science.gov (United States)

    Cai, Sixiang; Hu, Hang; Li, Hongrui; Shi, Liyi; Zhang, Dengsong

    2016-02-01

    Manganese based catalysts are highly active in the NH3-SCR reaction for NOx removal. Unfortunately, manganese oxides can be easily deactivated by sulfur dioxide in the flow gas, which has become the main obstacle for their practical applications. To address this problem, we presented a green and facile method for the synthesis of multi-shell Fe2O3@MnOx@CNTs. The morphology and structural properties of the catalysts were systematically investigated. The results revealed that the MnOx@CNT core-shell structure was formed during the chemical bath deposition, while the outermost MnOx species were transformed to Fe2O3 after the galvanic replacement reaction. The formation of the multi-shell structure induced the enhancement of the active oxygen species, reducible species as well as adsorption of the reactants, which brought about excellent de-NOx performance. Moreover, the Fe2O3 shell could effectively suppress the formation of the surface sulfate species, leading to the desirable SO2 resistance to the multi-shell catalyst. Hence, the synthesis protocol could provide guidance for the preparation and elevation of manganese based catalysts.Manganese based catalysts are highly active in the NH3-SCR reaction for NOx removal. Unfortunately, manganese oxides can be easily deactivated by sulfur dioxide in the flow gas, which has become the main obstacle for their practical applications. To address this problem, we presented a green and facile method for the synthesis of multi-shell Fe2O3@MnOx@CNTs. The morphology and structural properties of the catalysts were systematically investigated. The results revealed that the MnOx@CNT core-shell structure was formed during the chemical bath deposition, while the outermost MnOx species were transformed to Fe2O3 after the galvanic replacement reaction. The formation of the multi-shell structure induced the enhancement of the active oxygen species, reducible species as well as adsorption of the reactants, which brought about excellent de

  8. Time Resolved Measurement of Ecosystem-Atmosphere NH3 Exchange Using the Eddy Covariance Technique

    Science.gov (United States)

    Fischer, M. L.; Littlejohn, D.

    2005-12-01

    Quantifying ammonia fluxes between the land surface and atmosphere is required for effective control of air quality, improving agricultural practices, and understanding natural ecosystem function. Ammonia (NH3) is emitted in large but uncertain amounts from animal agriculture, in lesser amounts from imperfect use of nitrogen fertilizers in crop agriculture, from catalytic converters used on automobiles and other energy related industrial processes, and exchanged between the ecosystem and atmosphere by natural ecosystem processes on vast spatial scales. To address the need for accurate, time-resolved NH3 flux measurements, we have developed an eddy covariance (EC) instrument for direct measurements of NH3 flux. EC flux measurements of NH3 were not previously possible because instruments were not sufficiently sensitive at high frequencies required to capture rapid variations in surface layer NH3 concentrations. To overcome this hurdle we combined a tunable-diode-laser (TDL) spectrometer with a fast-response NH3 sampling inlet and automated pulse-response calibration system. Laboratory tests of the inlet system demonstrate that the response to 10 ppb step in NH3 concentration is well described by a double exponential model with (1/e) times of 0.3 (85% response) and 1.5 (15% response) seconds. This response combined with a routinely measured instrument stability of ~ 0.1 ppb (on 30 minute timescales) indicates that the instrumental contribution to noise in NH3 flux measurements is ~ 0.2 umol NH3 m-2 hr-1, sufficient to stringently test models for NH3 exchange under most conditions. Recent results of field work to verify the instrument performance and observe examples of NH3 exchange will be presented.

  9. Arbuscular mycorrhiza maintains nodule function during external NH4+ supply in Phaseolus vulgaris (L.).

    Science.gov (United States)

    Mortimer, Peter E; Pérez-Fernández, Maria A; Valentine, Alex J

    2012-04-01

    The synergistic benefits of the dual inoculation of legumes with nodule bacteria and arbuscular mycorrhizae (AM) are well established, but the effect of an external NH(4)(+) supply on this tripartite relationship is less clear. This effect of NH(4)(+) supply was investigated with regards to the growth and function of the legume host and both symbionts. Nodulated Phaseolus vulgaris seedlings with and without AM, were grown in a sand medium with either 0 N, 1 mM or 3 mM NH(4)(+). Plants were harvested at 30 days after emergence and measurements were taken for biomass, N(2) fixation, photosynthesis, asparagine concentration, construction costs and N nutrition. The addition of NH(4)(+) led to a decline in the percentage AM colonization and nodule dry weights, although AM colonization was affected to a lesser extent. NH(4)(+) supply also resulted in a decrease in the reliance on biological nitrogen fixation (BNF); however, the AM roots maintained higher levels of NH(4)(+) uptake than their non-AM counterparts. Furthermore, the non-AM plants had a higher production of asparagine than the AM plants. The inhibitory effects of NH(4)(+) on nodule function can be reduced by the presence of AM at moderate levels of NH(4)(+) (1 mM), via improving nodule growth or relieving the asparagine-induced inhibition of BNF. © Springer-Verlag 2011

  10. Effect of activated NH3 on SO2 removal by pulse coronadischarge plasma in flue gas

    Institute of Scientific and Technical Information of China (English)

    2000-01-01

    NH3-activated electrode is placed in front of the electrode system of pulse corona discharge plasma. There are nozzles on the electrode. Positive DC high-voltage is applied on the nozzle-plate gap. NH3 is injected into the reactor through nozzles, at the same time, activated and treated. Tbese nozzles were proposed in order to make the additional gas pass through corona discharge regions near the tip of nozzles and increase the mount of radicals. The aim is to improve the De-SO2 efficiency by pulse discharge plasma in flue gas. The following topics are investigated and discussed in the paper: De-SO2 effect of single NH3-activated electrode, De-SO2 effect of activated NH3, the relationship between stoichiometric ratio of NH3 to SO2 and De-SO2 effect of activated NH3, mechanism of activated NH3 De-SO2 effect. The experimental result indicates that the De-SO2 efficiency can be increased 5 %-10 96 by activated NH3 on the original base of De-SO2 efficiency.

  11. CH3NH3I在制备CH3NH3PbI(3-x)Clx钙钛矿太阳能电池中的作用∗%Effects of CH3NH3I on fabricating CH3NH3PbI(3-x)Clx p erovskite solar cells

    Institute of Scientific and Technical Information of China (English)

    夏祥; 刘喜哲

    2015-01-01

    Perovskite solar cell, which is prepared by using the organic-inorganic hybrid halide CH3NH3PbX3 (X = I, Cl and Br), receives widespread attention because of its solution processability and high photon-to-electron conversion effi-ciency. The highest reported photon-to-electron conversion efficiency is that using CH3NH3PbI(3−x)Clx as an absorber. It is reported that the diffusion length is greater than 1 micrometer in this mixed halide perovskite. The method most commonly used in preparing CH3NH3PbI(3−x)Clx film is the one-step pyrolysis method, which has a complex reaction mechanism. In this paper, we review the work about CH3NH3PbI(3−x)Clx perovskite, in which emphasis is put on the importance of the preparation process, and analyze the role of CH3NH3I in the one-step pyrolysis method for fabricating the CH3NH3PbI(3−x)Clxperovskite layer. Scanning electron microscope images show that CH3NH3I can improve the cov-erage and crystallinity of the perovskite layer for precursors in low CH3NH3I concentrations (CH3NH3I/PbCl2=2.0 and 2.5). For precursors in high CH3NH3I concentrations (CH3NH3I/PbCl2=2.75 and 3), this change is not obvious. X-ray photoelectron spectroscopy confirms the change of coverage, and indicates that the content of Cl in CH3NH3PbI(3−x)Clx will be less than 5% for precursors with high CH3NH3I concentrations (CH3NH3I/PbCl2 >2.5). Perovskite solar cells based on CH3NH3PbI(3−x)Clx with different Cl dopant concentrations are studied by photoelectric measurements. Pho-tocurrent density-photovoltage curves show that the performance of the devices increases with the increase of CH3NH3I concentration in precursors. And the incident-photon-to-current conversion efficiency (IPCE) measurements indicate that the devices fabricated by using precursors with high CH3NH3I concentration have a relatively high external quan-tum efficiency. These results imply that only CH3NH3PbI(3−x)Clx with very low Cl dopant concentration will be effective material for

  12. Volatility of NH3 from internally mixed sodium succinate-NH4SO4 particles

    Science.gov (United States)

    Wang, Na; Zhang, Yunhong

    2016-04-01

    Contributing the complicacy of atmospheric constituents, aerosol particles may undergo complicated heterogeneous reactions that have profound consequences on their hygroscopic properties and volatility. Ammonia (NH3) is a ubiquitous trace atmospheric gas in the troposphere and has negative effects on human health and climate forcing of ambient aerosols. In addition, atmospheric cycle of NH3 is complex in atmosphere, therefore it necessary to get insights to the complexity of gas-to-aerosol NH3 partitioning, which results in large uncertainties in the sources and distributions of NH3. By using in-situ Fourier transform infrared spectroscopy and attenuated total reflection (FTIR-ATR), we report here the volatility of NH3 from the laboratory generated sodium succinate with ammonium sulfate ((NH4)2SO4) at a 1:1 molar ratio as well as its effect on the hygroscopicity of the mixtures. The loss of the NH4+ peak at 1451cm-1 and the formation of peaks at 1718 and 1134 cm-1 due to C = O stretching asymmetric vibration of -COOH and ν3 (SO42-) stretching of sodium sulfate indicate that sodium succinate reacts with (NH4)2SO4, releasing NH3 and forming succinic acid and sodium sulfate on dehydration process. The formation of less hygroscopic succinic acid and volatility of NH3 in mixtures leads to a significant decrease in the total water content. To the best of our knowledge, this is the first report of the reaction between (NH4)2SO4 and dicarboxylate salts, which may represent an important particle-gas partitioning for ammonia and thus elucidate another underlying ammonia cycle in atmosphere. These results could be helpful to understand the mutual transformation process of dicarboxylic acids and dicarboxylate salts.

  13. Structural determinants of NH3 and NH4+ transport by mouse Rhbg, a renal Rh glycoprotein.

    Science.gov (United States)

    Abdulnour-Nakhoul, Solange; Le, Trang; Rabon, Edd; Hamm, L Lee; Nakhoul, Nazih L

    2016-12-01

    Renal Rhbg is localized to the basolateral membrane of intercalated cells and is involved in NH3/NH4(+) transport. The structure of Rhbg is not yet resolved; however, a high-resolution crystal structure of AmtB, a bacterial homolog of Rh, has been determined. We aligned the sequence of Rhbg to that of AmtB and identified important sites of Rhbg that may affect transport. Our analysis positioned three conserved amino acids, histidine 183 (H183), histidine 342 (H342), and tryptophan 230 (W230), within the hydrophobic pore where they presumably serve to control NH3 transport. A fourth residue, phenylalanine 128 (F128) was positioned at the upper vestibule, presumably contributing to recruitment of NH4(+) We generated three mutations each of H183, H342, W230, and F128 and expressed them in frog oocytes. Immunolabeling showed that W230 and F128 mutants were localized to the cell membrane, whereas H183 and H342 staining was diffuse and mostly intracellular. To determine function, we compared measurements of NH3/NH4(+) and methyl amine (MA)/methyl ammonium (MA(+))-induced currents, intracellular pH, and surface pH (pHs) among oocytes expressing the mutants, Rhbg, or injected with H2O. In H183 and W230 mutants, NH4(+)-induced current and intracellular acidification were inhibited compared with that of Rhbg, and MA-induced intracellular alkalinization was completely absent. Expression of H183A or W230A mutants inhibited NH3/NH4(+)- and MA/MA(+)-induced decrease in pHs to the level observed in H2O-injected oocytes. Mutations of F128 did not significantly affect transport of NH3 or NH4(+) These data demonstrated that mutating H183 or W230 caused loss of function but not F128. H183 and H342 may affect membrane expression of the transporter.

  14. Evaluation of antioxidant properties of a phosphorated cardanol compound on mineral oils (NH10 and NH20)

    Energy Technology Data Exchange (ETDEWEB)

    Maria Alexsandra Rios Facanha; Selma Elaine Mazzetto; Jose Osvaldo Beserra Carioca; Glaucione Gomes de Barros [Universidade Federal do Ceara (Brazil). Departamento de Quimica Organica e Inorganica

    2007-10-15

    Studies on thermal-oxidative stability of a phosphorated antioxidant, synthesized from a natural and renewable resource cashew nut shell liquid (CNSL) was investigated, using a classical thermoanalytical method-thermogravimetric (TG/DTG) in air atmosphere. Its use as an antioxidant agent on the mineral oils NH10 and NH{sub 2}0 was evaluated in comparative studied with a commercial product (diphenyl phosphate - Aldrich). The addition of 1.2-2.0 wt% of phosphorated cardanol compound to the mineral oils has improved their thermal-oxidative stability on 14-18{sup o}C, respectively. The occurrence of major thermal degradation events at higher temperatures (T{sub max}) on additivated oils is an excellent indication of the phosphorated cardanol compound antioxidant properties. 21 refs., 9 figs., 6 tabs.

  15. Imaging a multidimensional multichannel potential energy surface: Photodetachment of H-(NH3) and NH4-

    Science.gov (United States)

    Hu, Qichi; Song, Hongwei; Johnson, Christopher J.; Li, Jun; Guo, Hua; Continetti, Robert E.

    2016-06-01

    Probes of the Born-Oppenheimer potential energy surfaces governing polyatomic molecules often rely on spectroscopy for the bound regions or collision experiments in the continuum. A combined spectroscopic and half-collision approach to image nuclear dynamics in a multidimensional and multichannel system is reported here. The Rydberg radical NH4 and the double Rydberg anion NH4- represent a polyatomic system for benchmarking electronic structure and nine-dimensional quantum dynamics calculations. Photodetachment of the H-(NH3) ion-dipole complex and the NH4- DRA probes different regions on the neutral NH4 PES. Photoelectron energy and angular distributions at photon energies of 1.17, 1.60, and 2.33 eV compare well with quantum dynamics. Photoelectron-photofragment coincidence experiments indicate dissociation of the nascent NH4 Rydberg radical occurs to H + NH3 with a peak kinetic energy of 0.13 eV, showing the ground state of NH4 to be unstable, decaying by tunneling-induced dissociation on a time scale beyond the present scope of multidimensional quantum dynamics.

  16. Thermodynamics of Cu(Ⅱ)-NH3-NH4Cl-H2O system

    Institute of Scientific and Technical Information of China (English)

    JU Shao-hua; TANG Mo-tang; YANG Sheng-hai; TANG Chao-bo

    2005-01-01

    The thermodynamics of a complex solution system, Cu(Ⅱ)-NH3-NH4Cl-H2O, was presented both theoretically and experimentally. Firstly, according to the principles of simultaneous equilibrium and aqueous electronic charge neutrality of the system, a nonlinear mathematical thermodynamic model with multi-members was set up. In this model, there were six unknowns: pH value, concentration values of free Cl-, free NH3, total concentration values of Cu2+, Cl- and NH3, four equilibrium equations and three equilibrium equations of total quantum of Cu2+, Cl- and NH3, as well as an equilibrium equation of electric charge, were involved in the model. Then after specifying the values of total concentrate of NH3 and Cl-, the model was solved precisely using MATLAB language, and the other four unknowns were obtained. According to the values obtained above, various valuable figures regarding thermodynamic relation of the system were protracted also with MATLAB, including two and three dimensions figures. These figures and data can supply the theoretic conference for optimizing the ratio of leaching reagents in copper extraction through ammonia hydrometallurgy. Finally, the solubility of CuO were measured in the system of NH3-NH4Cl-H2O. The results show that the model and the thermodynamic data obtained are reliable.

  17. Photovoltaic properties of Cu-doped CH3NH3PbI3 with perovskite structure

    Science.gov (United States)

    Shirahata, Yasuhiro; Oku, Takeo

    2017-01-01

    Photovoltaic properties of copper (Cu)-doped perovskite (CH3NH3PbCuxI3+x) photovoltaic devices with different Cu content were investigated. The CH3NH3PbCuxI3+x films were polycrystalline with a tetragonal system, and their lattice constants and crystallite size varied with Cu doping. Compared to conversion efficiencies of non-doped CH3NH3PbI3 photovoltaic device, those of CH3NH3PbCuxI3+x photovoltaic devises increased. The improvement of photovoltaic properties was attributed to partial substitution of Cu at the Pb sites.

  18. Simultaneous removal of H2S and NH3 in biofilter inoculated with Acidithiobacillus thiooxidans TAS.

    Science.gov (United States)

    Lee, Eun Young; Cho, Kyung-Suk; Ryu, Hee Wook

    2005-06-01

    H2S and NH3 gases are toxic, corrosive and malodorous air pollutants. Although there are numerous well-established physicochemical techniques presently available for the treatment of these gases, the growing demand for a more economical and improved process has prompted investigations into biological alternatives. In biological treatment methods, H2S is oxidized to SO4(2-) by sulfur-oxidizing bacteria, and then NH3 is removed by chemical neutralization with SO4(2-) to (NH4)2SO4. Since the accumulated (NH4)2SO4 can inhibit microbial activity, it is important to utilize an effective sulfur-oxidizing bacterium that has tolerance to high concentrations of (NH4)2SO4 for the simultaneous removal of H2S and NH3. In this study, a sulfur-oxidizing bacterium with tolerance to high concentrations of (NH4)2SO4 was isolated from activated sludge and identified as Acidithiobacillus thiooxidans TAS. A. thiooxidans TAS could display its sulfur-oxidizing activity in a medium supplemented with 60 g.l(-1) (NH4)2SO4, even though its growth and sulfur-oxidizing activity were completely inhibited in 80 g.l(-1) (NH4)2SO4. When H2S alone was supplied to a ceramic biofilter inoculated with A. thiooxidans TAS, an almost 100% H2S removal efficiency was maintained until the inlet H2S concentration was increased up to 900 microl.l(-1) and the space velocity up to 500 h(-1), at which the amount of H2S eliminated was 810 g-S.m(-3).h(-1). However, when NH3 (50-500 microl.l(-1)) was simultaneously supplied to the biofilter with H2S, the maximum amount of H2S eliminated decreased to 650 g-S.m(-3).h(-1). The inhibition of H2S removal by low NH3 concentrations (50-200 microl.l(-1)) was similar to that by high NH3 concentrations (300-500 microl.l(-1)). The critical inlet H2S load that resulted in over 99% removal was determined as 400 g-S.m(-3).h(-1) in the presence of NH3.

  19. Hot NH3 Spectra for Astrophysical Applications

    CERN Document Server

    Hargreaves, R J; Bernath, P F

    2011-01-01

    We present line lists for ammonia (NH$_{3}$) at high temperatures obtained by recording Fourier transform infrared emission spectra. Calibrated line lists are presented for twelve temperatures (300 -- 1300$^{\\circ}$C in 100$^{\\circ}$C intervals and 1370$^{\\circ}$C) and each line list covers the 740 -- 2100 cm$^{-1}$ range, which includes the majority of the $\

  20. NH3 Measurements for Advanced SCR Applications

    NARCIS (Netherlands)

    Seykens, X.; Tillaart, E. van den; Lilova, V.; Nakatani, S.

    2016-01-01

    Since the introduction of Euro IV legislation [1, 2], Selective Catalytic Reduction (SCR) technology using liquid urea injection is (one of) the primary methods for NOx reduction in many applications. Ammonia (NH3) is the reagent and key element for the SCR system and its control calibration to meet

  1. An evaluation of IASI-NH3 with ground-based Fourier transform infrared spectroscopy measurements

    Science.gov (United States)

    Dammers, Enrico; Palm, Mathias; Van Damme, Martin; Vigouroux, Corinne; Smale, Dan; Conway, Stephanie; Toon, Geoffrey C.; Jones, Nicholas; Nussbaumer, Eric; Warneke, Thorsten; Petri, Christof; Clarisse, Lieven; Clerbaux, Cathy; Hermans, Christian; Lutsch, Erik; Strong, Kim; Hannigan, James W.; Nakajima, Hideaki; Morino, Isamu; Herrera, Beatriz; Stremme, Wolfgang; Grutter, Michel; Schaap, Martijn; Wichink Kruit, Roy J.; Notholt, Justus; Coheur, Pierre-F.; Erisman, Jan Willem

    2016-08-01

    Global distributions of atmospheric ammonia (NH3) measured with satellite instruments such as the Infrared Atmospheric Sounding Interferometer (IASI) contain valuable information on NH3 concentrations and variability in regions not yet covered by ground-based instruments. Due to their large spatial coverage and (bi-)daily overpasses, the satellite observations have the potential to increase our knowledge of the distribution of NH3 emissions and associated seasonal cycles. However the observations remain poorly validated, with only a handful of available studies often using only surface measurements without any vertical information. In this study, we present the first validation of the IASI-NH3 product using ground-based Fourier transform infrared spectroscopy (FTIR) observations. Using a recently developed consistent retrieval strategy, NH3 concentration profiles have been retrieved using observations from nine Network for the Detection of Atmospheric Composition Change (NDACC) stations around the world between 2008 and 2015. We demonstrate the importance of strict spatio-temporal collocation criteria for the comparison. Large differences in the regression results are observed for changing intervals of spatial criteria, mostly due to terrain characteristics and the short lifetime of NH3 in the atmosphere. The seasonal variations of both datasets are consistent for most sites. Correlations are found to be high at sites in areas with considerable NH3 levels, whereas correlations are lower at sites with low atmospheric NH3 levels close to the detection limit of the IASI instrument. A combination of the observations from all sites (Nobs = 547) give a mean relative difference of -32.4 ± (56.3) %, a correlation r of 0.8 with a slope of 0.73. These results give an improved estimate of the IASI-NH3 product performance compared to the previous upper-bound estimates (-50 to +100 %).

  2. 浅谈银川地区配网线路的最优分段数%Analysis on the power line optimization subsection of the distribution network in Yinchuan area

    Institute of Scientific and Technical Information of China (English)

    侯春生

    2011-01-01

    配网线路最优分段要兼顾可靠性和经济性,根据银川地区配网运行历史数据,从影响线路供电成本和停电损失两方面对不同接线模式下的线路最优分段情况和经济效益进行分析,计算出当前银川配网线路最优分段数。%Based on historical operation data of the distribution network in Yinchuan area,from the cost of the power supply and power cut loss analyzes the power line optimization subsection and the economic benefits in different connection mode,calculates current the power line optimization subsection of the distribution network in Yinchuan area.

  3. The Subsection Control Strategy Used for the Auxiliary Power Unit Electrical Start%应用于APU电起动的分段式控制策略

    Institute of Scientific and Technical Information of China (English)

    袁海宵

    2013-01-01

    The auxiliary power unit ( APU) is an important system of the civil aircraft for the aircraft safety and comfort. Large current output for long time will cause disadvantage effect on battery usage life. Also the too long start time will damage APU. So when start the APU by using the battery as the input power, for the purpose of re-ducing the damage to battery and APU, it is needed to start the APU in a shorter time by a lower battery output cur-rent. The subsection of power-current control strategy can start the APU in shorter time with the lowest damage to the battery and APU. This is important for extending the use life of APU and battery.%民用飞机辅助动力装置( APU)是保证飞机安全和舒适性的重要系统。大电流长时放电对蓄电池的使用寿命有不利影响,同时起动时间过长对APU也有不利影响。在使用蓄电池作为起动APU的功率来源时,为了减小对蓄电池和APU的损害,需要使用较小的蓄电池输出电流在较短的时间内将APU起动。采用功率-电流分段式控制的起动方式可以在较短的时间内,以对蓄电池和APU损伤最小的方式实现APU的起动。对延长蓄电池和APU使用寿命具有重要意义。

  4. Cold and ultracold NH--NH collisions: The field-free case

    CERN Document Server

    Janssen, Liesbeth M C; van der Avoird, Ad; Hutson, Jeremy M; Groenenboom, Gerrit C

    2010-01-01

    We present elastic and inelastic spin-changing cross sections for cold and ultracold NH($X\\,^3\\Sigma^-$) + NH($X\\,^3\\Sigma^-$) collisions, obtained from full quantum scattering calculations on an accurate \\textit{ab initio} quintet potential-energy surface. Although we consider only collisions in zero field, we focus on the cross sections relevant for magnetic trapping experiments. It is shown that evaporative cooling of both fermionic $^{14}$NH and bosonic $^{15}$NH is likely to be successful for hyperfine states that allow for $s$-wave collisions. We also demonstrate that the calculated cross sections are sensitive to the details of the interaction potential, but that the qualitative results are fairly independent of the precise form of the surface. The results are also found to be reasonably independent of the size of the angular basis set. We therefore argue that, within the uncertainty limits of the potential, full basis-set convergence is not strictly necessary.

  5. [Effects of superphosphate addition on NH3 and greenhouse gas emissions during vegetable waste composting].

    Science.gov (United States)

    Yang, Yan; Sun, Qin-ping; Li, Ni; Liu, Chun-sheng; Li, Ji-jin; Liu, Ben-sheng; Zou, Guo-yuan

    2015-01-01

    To study the effects of superphosphate (SP) on the NH, and greenhouse gas emissions, vegetable waste composting was performed for 27 days using 6 different treatments. In addition to the controls, five vegetable waste mixtures (0.77 m3 each) were treated with different amounts of the SP additive, namely, 5%, 10%, 15%, 20% and 25%. The ammonia volatilization loss and greenhouse gas emissions were measured during composting. Results indicated that the SP additive significantly decreased the ammonia volatilization and greenhouse gas emissions during vegetable waste composting. The additive reduced the total NH3 emission by 4.0% to 16.7%. The total greenhouse gas emissions (CO2-eq) of all treatments with SP additives were decreased by 10.2% to 20.8%, as compared with the controls. The NH3 emission during vegetable waste composting had the highest contribution to the greenhouse effect caused by the four different gases. The amount of NH3 (CO2-eq) from each treatment ranged from 59.90 kg . t-1 to 81.58 kg . t-1; NH3(CO2-eq) accounted for 69% to 77% of the total emissions from the four gases. Therefore, SP is a cost-effective phosphorus-based fertilizer that can be used as an additive during vegetable waste composting to reduce the NH3 and greenhouse gas emissions as well as to improve the value of compost as a fertilizer.

  6. Fabrication and Electromagnetic Properties of Conjugated NH2-CuPc@Fe3O4

    Science.gov (United States)

    Yan, Liang; Pu, Zejun; Xu, Mingzhen; Wei, Renbo; Liu, Xiaobo

    2017-10-01

    Conjugated amino-phthalocyanine copper containing carboxyl groups/magnetite (NH2-CuPc@Fe3O4) has been fabricated from FeCl3·6H2O and NH2-CuPc via a simple solvothermal method and its electromagnetic properties investigated. Scanning electron microscopy and transmission electron microscopy revealed that the NH2-CuPc@Fe3O4 was a waxberry-like nanomaterial with NH2-CuPc molecules effectively embedded in the interior of Fe3O4 particles in the form of beads. Introduction of NH2-CuPc effectively improved the complementarity between the dielectric and magnetic losses of the system, resulting in excellent electromagnetic performance. The minimum reflection loss of the as-prepared composite reached -33.4 dB at 7.0 GHz for coating layer thickness of 4.0 mm and bandwidth below -10.0 dB (90% absorption) of up to 3.8 GHz. These results indicate that introduction of NH2-CuPc results in a composite with potential for use as an electromagnetic microwave absorption material.

  7. Euphorbia L. subsect. Esula (Boiss. in DC. Pax in the Iberian Peninsula. Leaf surface, chromosome numbers and taxonomic treatment

    Directory of Open Access Journals (Sweden)

    Molero, Julià

    1992-12-01

    Full Text Available We present a taxonomic study of the representatives or Euphorbia subsect. Esula in the Iberian Peninsula. Prior to this, a first section is included on the study of the leaf surface and a second section on chromosome numbers.
    The section on leaf surface is based on a study of the leaves or 45 populations of Iberian and European taxa of the subsections using a light microscope and SEM. The characters analyzed are cell shape, morphology of the cells and stomata (primary and secondary sculpture and epicuticular waxes (tertiary sculpture. Some microcharacters of the leaf surface proved particularly usefu1for taxonomical purposes. Thus the basic type of stoma and the distribution model of the stomata on the two sides of the leaf are characters which make it possible to separate taxa as closely related as E. esula L. subsp. esula and E. esula L. subsp orientalis (Boiss. in DC. Molero & Rovira. The morphological type of the epicuticular waxes also enables us to differentiate between E.graminifolia Vill. and E. esula aggr. And to distinguish subsp. bolosii Molero & Rovira from the remaining subespecies in E. nevadensis Boiss. & Reuter.
    Cytogenetic investigation reveals the presence of only the diploid cytotype (2n=10 in E. cyparissias L. and E. esula L. subsp. esula in the Iberian Peninsula. We describe for the first time in E. nevadensis s.1. a polyploidy complex with a base of x= 10 in which the diploid level (2n=20 is present in all subspecies; the tetraploid level (2n=40 is present in E. nevadensis subsp. nevadensis and the hexaploid level (2n=60 is found in E. nevadensis subsp. bolosii. Chromosome number is not a parameter that can be used for taxonomic purposes. In E. nevadensis, cytogenetic differentiation has followed its own course, with no apparent relationship to the process of morphological

  8. Improved dehydrogenation cycle performance of the 1.1MgH2-2LiNH2-0.1LiBH4 system by addition of LaNi4.5Mn0.5 alloy

    Institute of Scientific and Technical Information of China (English)

    赵汪; 蒋利军; 武媛方; 叶建华; 袁宝龙; 李志念; 刘晓鹏; 王树茂

    2015-01-01

    The isothermal desorption kinetics of the 1.1MgH2-2LiNH2-0.1LiBH4 system were improved by addition of LaNi4.5Mn0.5 alloy. The hydrogen desorption peak temperature of the sample containing LaNi4.5Mn0.5 reduced by approximately 5 K and the acti-vation energy reduced by 9%. The results of isothermal dehydrogenation kinetics analysis implied that the isothermal desorption process at initial stage was controlled by the phase boundary mechanism. Moreover, the cycle performance of the materials was ex-tended. The growth and agglomeration of the sample particles caused the deterioration of kinetics during de-/hydrogenation cycles, and then resulted in an incomplete desorption/absorption reaction which were responsible for the capacity fading. The cracking and pulverization of LaNi4.5Mn0.5 alloy had an obvious effect on preventing the composites aggregating, and the fine alloy particles could enhance the catalytic effect of the alloy, thus effectively offsetting part of the deterioration of kinetics caused by particles growth.

  9. Crystal structure of [UO2(NH35]NO3·NH3

    Directory of Open Access Journals (Sweden)

    Patrick Woidy

    2016-12-01

    Full Text Available Pentaammine dioxide uranium(V nitrate ammonia (1/1, [UO2(NH35]NO3·NH3, was obtained in the form of yellow crystals from the reaction of caesium uranyl nitrate, Cs[UO2(NO33], and uranium tetrafluoride, UF4, in dry liquid ammonia. The [UO2]+ cation is coordinated by five ammine ligands. The resulting [UO2(NH35] coordination polyhedron is best described as a pentagonal bipyramid with the O atoms forming the apices. In the crystal, numerous N—H...N and N—H...O hydrogen bonds are present between the cation, anion and solvent molecules, leading to a three-dimensional network.

  10. Hydrogen Abstraction from Hydrocarbons by NH2.

    Science.gov (United States)

    Siddique, Kamal; Altarawneh, Mohammednoor; Gore, Jeff; Westmoreland, Phillip R; Dlugogorski, Bogdan Z

    2017-03-23

    This contribution investigates thermokinetic parameters of bimolecular gas-phase reactions involving the amine (NH2) radical and a large number of saturated and unsaturated hydrocarbons. These reactions play an important role in combustion and pyrolysis of nitrogen-rich fuels, most notably biomass. Computations performed at the CBS-QB3 level and based on the conventional transition-state theory yield potential-energy surfaces and reaction rate constants, accounting for tunnelling effects and the presence of hindered rotors. In an analogy to other H abstraction systems, we demonstrate only a small influence of variational effects on the rate constants for selected reaction. The studied reactions cover the abstraction of hydrogen atoms by the NH2 radical from the C-H bonds in C1-C4 species, and four C5 hydrocarbons of 2-methylbutane, 2-methyl-1-butene, 3-methyl-1-butene, 3-methyl-2-butene, and 3-methyl-1-butyne. For the abstraction of H from methane, in the temperature windows 300-500 and 1600-2000 K, the calculated reaction rate constants concur with the available experimental measurements, i.e., kcalculated/kexperimetal = 0.3-2.5 and 1.1-1.4, and the previous theoretical estimates. Abstraction of H atom from ethane attains the ratio of kcalculated/kexperimetal equal to 0.10-1.2 and 1.3-1.5 over the temperature windows of available experimental measurements, i.e., 300-900 K and 1500-2000 K, respectively. For the remaining alkanes (propane and n-butane), the average kexperimental/kcalculated ratio remains 2.6 and 1.3 over the temperature range of experimental data. Also, comparing the calculated standard enthalpy of reaction (ΔrH°298) with the available experimental measurements for alkanes, we found the mean unsigned error of computations as 3.7 kJ mol(-1). This agreement provides an accuracy benchmark of our methodology, affording the estimation of the unreported kinetic parameters for H abstractions from alkenes and alkynes. On the basis of the Evans

  11. Stereodynamics and Rovibrational Effect for H+NH3 →H2+NH2 Reaction

    Institute of Scientific and Technical Information of China (English)

    LI Hao; LIU Xin-Guo; ZHANG Qing-Gang

    2005-01-01

    @@ We employ the semirigid vibrating rotor target (SVRT) model to study the influence of rotational and vibrational excitation of the reagent on reactivity for the reaction H+NH3. The excitation of the pseudo H-NH2 stretching vibration of the SVRT model gives significant enhancement of reaction probability. Detailed study of the influence of initial rotational states on reaction probability shows strong steric effect. The steric effect of polyatomic reactions, treated by the SVRT model, is more complex and richer than theoretical calculations involving linear molecular models.

  12. Spectroscopic parameters of the low-lying electronic states and laser cooling feasibility of NH+ cation and NH- anion

    Science.gov (United States)

    Zhang, Qing-Qing; Yang, Chuan-Lu; Wang, Mei-Shan; Ma, Xiao-Guang; Liu, Wen-Wang

    2017-10-01

    The potential energy curves and transition dipole moments of 12Σ+, 22Σ+, 12Π and 22Π states of NH+ cation and NH- anion are calculated by using multi-reference configuration interaction method and large all-electron basis sets. Based on the obtained potential energy curves, the rotational and vibrational energy levels of the states are obtained by solving the Schrödinger equation of nuclear movement. The calculated spectroscopic parameters for NH+ cation and NH- anion are in good agreement with available theoretical and experimental results. The spin orbit coupling effect of the 2Π states for both NH+ cation and NH- anion are calculated. The feasibility of laser cooling of the two molecules is examined by using the results of the molecular structure and spectroscopy. The highly diagonal Franck-Condon factors for the 12Π (v″ = 0) ↔ 12Σ+ (v‧ = 0) transition of NH+ and NH- are 0.821 and 0.999, while the radiative lifetimes of the 12Σ+ (v‧ = 0) state for the two molecules are 384 ns and 52.4 ns, respectively. The results indicate that NH+ cation and NH- anion are good candidate molecules for laser cooling. The cooling scheme via Sisyphus process for the NH+ cation and NH- anion are proposed in the paper. The laser wavelengths for the close cycles of the absorption and radiation are also determined. Unfortunately, the potential energy curve of the ground state of the neutral NH molecule shows that the auto-detachment of NH- anion is possible, implying the optical scheme of laser cooling for NH- anion is not easy to achieve in the experiment although it has larger Franck-Condon factor.

  13. Spectroscopic parameters of the low-lying electronic states and laser cooling feasibility of NH(+) cation and NH(-) anion.

    Science.gov (United States)

    Zhang, Qing-Qing; Yang, Chuan-Lu; Wang, Mei-Shan; Ma, Xiao-Guang; Liu, Wen-Wang

    2017-10-05

    The potential energy curves and transition dipole moments of 1(2)Σ(+), 2(2)Σ(+), 1(2)Π and 2(2)Π states of NH(+) cation and NH(-) anion are calculated by using multi-reference configuration interaction method and large all-electron basis sets. Based on the obtained potential energy curves, the rotational and vibrational energy levels of the states are obtained by solving the Schrödinger equation of nuclear movement. The calculated spectroscopic parameters for NH(+) cation and NH(-) anion are in good agreement with available theoretical and experimental results. The spin orbit coupling effect of the (2)Π states for both NH(+) cation and NH(-) anion are calculated. The feasibility of laser cooling of the two molecules is examined by using the results of the molecular structure and spectroscopy. The highly diagonal Franck-Condon factors for the 1(2)Π (v″=0)↔1(2)Σ(+) (v'=0) transition of NH(+) and NH(-) are 0.821 and 0.999, while the radiative lifetimes of the 1(2)Σ(+) (v'=0) state for the two molecules are 384ns and 52.4ns, respectively. The results indicate that NH(+) cation and NH(-) anion are good candidate molecules for laser cooling. The cooling scheme via Sisyphus process for the NH(+) cation and NH(-) anion are proposed in the paper. The laser wavelengths for the close cycles of the absorption and radiation are also determined. Unfortunately, the potential energy curve of the ground state of the neutral NH molecule shows that the auto-detachment of NH(-) anion is possible, implying the optical scheme of laser cooling for NH(-) anion is not easy to achieve in the experiment although it has larger Franck-Condon factor. Copyright © 2017 Elsevier B.V. All rights reserved.

  14. Projections of NH3 emissions from manure generated by livestock production in China to 2030 under six mitigation scenarios.

    Science.gov (United States)

    Xu, Peng; Koloutsou-Vakakis, Sotiria; Rood, Mark J; Luan, Shengji

    2017-07-05

    China's rapid urbanization, large population, and increasing consumption of calorie-and meat-intensive diets, have resulted in China becoming the world's largest source of ammonia (NH3) emissions from livestock production. This is the first study to use provincial, condition-specific emission factors based on most recently available studies on Chinese manure management and environmental conditions. The estimated NH3 emission temporal trends and spatial patterns are interpreted in relation to government policies affecting livestock production. Scenario analysis is used to project emissions and estimate mitigation potential of NH3 emissions, to year 2030. We produce a 1km×1km gridded NH3 emission inventory for 2008 based on county-level activity data, which can help identify locations of highest NH3 emissions. The total NH3 emissions from manure generated by livestock production in 2008 were 7.3TgNH3·yr(-1) (interquartile range from 6.1 to 8.6TgNH3·yr(-1)), and the major sources were poultry (29.9%), pigs (28.4%), other cattle (27.9%), and dairy cattle (7.0%), while sheep and goats (3.6%), donkeys (1.3%), horses (1.2%), and mules (0.7%) had smaller contributions. From 1978 to 2008, annual NH3 emissions fluctuated with two peaks (1996 and 2006), and total emissions increased from 2.2 to 7.3Tg·yr(-1) increasing on average 4.4%·yr(-1). Under a business-as-usual (BAU) scenario, NH3 emissions in 2030 are expected to be 13.9TgNH3·yr(-1) (11.5-16.3TgNH3·yr(-1)). Under mitigation scenarios, the projected emissions could be reduced by 18.9-37.3% compared to 2030 BAU emissions. This study improves our understanding of NH3 emissions from livestock production, which is needed to guide stakeholders and policymakers to make well informed mitigation decisions for NH3 emissions from livestock production at the country and regional levels. Copyright © 2016 Elsevier B.V. All rights reserved.

  15. NH3 and NH4+ permeability in aquaporin-expressing Xenopus oocytes

    DEFF Research Database (Denmark)

    Holm, Lars M.; Jahn, Thomas Paul; Møller, Anders Laurell Blom;

    2005-01-01

    We have shown recently, in a yeast expression system, that some aquaporins are permeable to ammonia. In the present study, we expressed the mammalian aquaporins AQP8, AQQP9, AQP3, AQP1 and a plant aquaporin TIP2;1 in Xenopus oocytes to study the transport of ammonia (NH3) and ammonium (NH4+) under...... opencircuit and voltage-clamped conditions. TIP2;1 was tested as the wild-type and in a mutated version (tip2;1) in which the water permeability is intact. When AQP8-, AQP9-, AQP3- and TIP2;1-expressing oocytes were placed in a well-stirred bathing medium of low buffer capacity, NH3 permeability was evident...... from the acidification of the bathing medium; the effects observed with AQP1 and tip2;1 did not exceed that of native oocytes. AQP8, AQP9, AQP3, and TIP2;1 were permeable to larger amides, while AQP1 was not. Under voltage-clamp conditions, given sufficient NH3, AQP8, AQP9, AQP3, and TIP2;1 supported...

  16. Physiological functions of glucagon-like peptide-1 (9-36) NH2%高血糖素样肽1(9-36) NH2的生理学功能

    Institute of Scientific and Technical Information of China (English)

    郭莉霞; 刘建辉; 殷菲

    2011-01-01

    Many findings demonstrate that glucagon-like peptide-l( 9-36 )NH2[ GLP-1 (9-36 )NH2] , mostly a cleavage product of GLP-1 (7-36) NH2, has a lot of physiological functions. GLP-1 (9-36)NH2 can reduce postprandial glycemia independently of gastric emptying and insulin secretion, rapidly reverse heart failure, improve end diastolic pressure, markedly stimulate myocardial glucose uptake, exert antioxidant cardioprotective actions, reduce oxidative stress in vasculature tissues independently of GLP-1 receptor, suppress hepatic glucose production , and promote glycogen stores. Thus, GLP-1 (9-36) NH2 is an active peptide with important physiological functions , and it will play an important role in treating obesity and accompanying manifestations of metabolic syndrome, including insulin resistance, cardiovascular disease, and hepatic steatosis.%许多研究表明,高血糖素样肽1 (9-36) NH2[ GLP-1 (9-36) NH2]是GLP-1 (7-36) NH2被二肽基肽酶快速降解后的主要体内存在形式,具有许多的生理学功能.GLP-1 (9-36) NH2中除了具有非依赖于胃排空和胰岛素分泌所致的降低餐后血糖的作用外,GLP-1 (9-36) NH2更多的是直接对外周器官的保护作用,包括快速逆转心力衰竭、改善舒张末期压、快速刺激心肌葡萄糖摄取及减少缺血再灌注对心脏的损伤;以及它具有不依赖于GLP-1受体的血管系统的抗氧化作用和抑制肝脏糖原异生、促进肝糖原的合成.因此,可以说明GLP-1( 9-36) NH2在体内是一个具有重要生理功能的活性肽,而不仅仅是GLP-1 (7-36) NH2的代谢产物.GLP-1 (9-36) NH2对糖尿病及其包括胰岛素抵抗、心血管疾病、肝脏脂肪变性等并发症的治疗将会起到非常重要的作用.

  17. 2(Cy2NH22SO4Sn(SO42Cy2NH2Cl AND 2(Cy2NH22SO4Sn(SO422Cy2NH2Cl: SYNTHESIS AND INFRARED STUDY

    Directory of Open Access Journals (Sweden)

    DAOUDA NDOYE

    2014-01-01

    Full Text Available 2(Cy2NH22SO4Sn(SO42Cy2NH2Cl and 2(Cy2NH22SO4. Sn(SO422Cy2NH2Cl complexes have been obtained on allowing Cy2NH2O2C-SO3H and Cy2NH2HSO4 to react respectively with SnBu2Cl2 and SnBu3Cl in specific ratios.The molecular structures of these compounds have been determined on the basis of the infrared data. The suggested structures are dimeric, the tin atom being octacoordinated by four chelating sulfate anions, the monomeric basic entities being connected by hydrogen bonded cation chloride cation strings.

  18. The research of subsection parabolic interpolation applied to the design of rectifying column%分段抛物插值算法在精馏塔设计中的应用研究

    Institute of Scientific and Technical Information of China (English)

    李俊妮; 栗秀萍; 刘有智; 涂传璞

    2012-01-01

    在精馏塔设计中,计算理论塔板数的方法有图解法、逐板计算法和简捷法等,其中图解法因快捷直观而常被使用.图解法用于精馏塔设计,通常与MATLAB、Aspen Plus、CAD、Excel等软件结合使用.在其设计过程中,先根据较有限的气液平衡数据和方程绘制相应的曲线,这样可能会造成一定的误差且曲线的光滑度也较差,从而导致精馏塔理论塔板数的计算精度不高.为提高其精度,本文采用数值分析方法——分段抛物插值法对二元理想体系的气液平衡曲线进行模拟,并结合MATLAB软件和图解法对精馏段操作线、q线和提馏段操作线进行数值计算和绘制曲线以计算精馏塔理论塔板数,从而完成精馏塔的设计.文中选用苯-甲苯物系作为应用实例,计算得出其q点坐标为(0.3626,0.5495),该物系的理论塔板数N为13.3739块(包括再沸器),其中第6.3589块板为加料板.%In the design of rectifying tower, there are three methods used in calculating theoretical plate: graphic method, calculating step by step and shortcut method, and graphic method is intuitive and simple. Graphic method is usually combined with MATLAB, Aspen Plus, CAD or Excel software in the design of rectifying tower. In the design process, vapor-liquid equilibrium curve is drawn according to vapor-liquid equilibrium data and equation. This will cause a certain error and the smoothness degree of curve is poor. At last, calculative accuracy of theoretical plate in rectifying tower is not precise. In order to improve the accuracy, the method of numerical analysis-subsection parabolic interpolation is used for curve-fitting of vapor-liquid equilibrium in the binary ideal mixtures. To calculate the theoretical plates in rectifying tower, the g line and the curves of rectifying section and stripping section are numerical calculated and drawn combined MATLAB with the graphic method. So the design of rectifying tower is tompletsd

  19. Tomato Growth and Organic Acid Changes in Response to Partial Replacement of NO-3-N by NH+4-N

    Institute of Scientific and Technical Information of China (English)

    DONG Cai-Xia; SHEN Qi-Rong; WANG Ge

    2004-01-01

    A hydroponic experiment was conducted to study the effect of partial replacement of NO-3-N by NH4+-N on the seedling growth and organic acid content of tomato (Lycopersicon esculentum Mill.). A completely randomized design was established with three replications and five treatments, i.e., NO-3-N/NH4+-N of 100/0, 75/25, 50/50, 25/75 and 0/100. Results showed that 25% replacement of NO3--N by NH4+-N significantly (P = 0.05) improved fresh and dry weight, revealing that a proper percentage of NH4+-N was important for tomato nitrogen nutrition. This could increase the plant growth even though tomato was a crop that preferred nitrate nutrition. Also an increase in the proportion of NH4+-N in the nutrient solution led to a significant decrease (P = 0.05) in malate, citrate and fumarate. However, the 25% NH4+-N plus 75% NO3--N treatment had no significant effect (P = 0.05) on the 2-ketoglutarate, succinate or oxalic acid content, showing that only some organic acids in tomato plants were affected. Only pyruvate increased significantly (P = 0.05), and it only increased for 25% and 50% replacement of NO3--N by NH4+-N. Metabolism of these organic acids, especially malate, citrate and fumarate, should be further studied at the molecular level in vegetables applied with different nitrogen forms.

  20. Effects of reactant rotational excitations on H2 + NH2 → H + NH3 reactivity

    Science.gov (United States)

    Song, Hongwei; Guo, Hua

    2014-12-01

    Rotational mode specificity of the title reaction is examined using an initial state selected time-dependent wave packet method on an accurate ab initio based global potential energy surface. This penta-atomic reaction presents an ideal system to test several dynamical approximations, which might be useful for future quantum dynamics studies of polyatomic reactions, particularly with rotationally excited reactants. The first approximation involves a seven-dimensional (7D) model in which the two non-reactive N-H bonds are fixed at their equilibrium geometry. The second is the centrifugal sudden (CS) approximation within the 7D model. Finally, the J-shifting (JS) model is tested, again with the fixed N-H bonds. The spectator-bond approximation works very well in the energy range studied, while the centrifugal sudden and J-shifting integral cross sections (ICSs) agree satisfactorily with the coupled-channel counterparts in the low collision energy range, but deviate at the high energies. The calculated integral cross sections indicate that the rotational excitation of H2 somewhat inhibits the reaction while the rotational excitations of NH2 have little effect. These findings are compared with the predictions of the sudden vector projection model. Finally, a simple model is proposed to predict rotational mode specificity using K-averaged reaction probabilities.

  1. A flexible and robust neural network IASI-NH3 retrieval algorithm

    Science.gov (United States)

    Whitburn, S.; Van Damme, M.; Clarisse, L.; Bauduin, S.; Heald, C. L.; Hadji-Lazaro, J.; Hurtmans, D.; Zondlo, M. A.; Clerbaux, C.; Coheur, P.-F.

    2016-06-01

    In this paper, we describe a new flexible and robust NH3 retrieval algorithm from measurements of the Infrared Atmospheric Sounding Interferometer (IASI). The method is based on the calculation of a spectral hyperspectral range index (HRI) and subsequent conversion to NH3 columns via a neural network. It is an extension of the method presented in Van Damme et al. (2014a) who used lookup tables (LUT) for the radiance-concentration conversion. The new method inherits the advantages of the LUT-based method while providing several significant improvements. These include the following: (1) Complete temperature and humidity vertical profiles can be accounted for. (2) Third-party NH3 vertical profile information can be used. (3) Reported positive biases of LUT retrieval are reduced, and finally (4) a full measurement uncertainty characterization is provided. A running theme in this study, related to item (2), is the importance of the assumed vertical NH3 profile. We demonstrate the advantages of allowing variable profile shapes in the retrieval. As an example, we analyze how the retrievals change when all NH3 is assumed to be confined to the boundary layer. We analyze different averaging procedures in use for NH3 in the literature, introduced to cope with the variable measurement sensitivity and derive global averaged distributions for the year 2013. A comparison with a GEOS-Chem modeled global distribution is also presented, showing a general good correspondence (within ±3 × 1015 molecules.cm-2) over most of the Northern Hemisphere. However, IASI finds mean columns about 1-1.5 × 1016 molecules.cm-2 (˜50-60%) lower than GEOS-Chem for India and the North China plain.

  2. Top-Down Constraints on Air Quality Model Emissions of NH3, NOx, and SO2 using Surface, Aircraft, and Satellite Data

    Science.gov (United States)

    Alvarado, M. J.; Lonsdale, C. R.; Winijkul, E.; Brodowski, C. M.; Cady-Pereira, K.; Henze, D. K.; Capps, S.

    2016-12-01

    Accurate modeling of the formation of ozone (O3) and fine particulate matter (PM2.5) requires accurate estimates of the emissions of precursor species such as ammonia (NH3), nitrogen oxides (NOx = NO+NO2) and sulfur dioxide (SO2). Here we present an evaluation of the 2011 EPA National Emission Inventory for NH3, NOx, and SO2 using CMAQv5.0.2 and data from the 2013 NOAA Southeast Nexus (SENEX) field campaign. Model results are compared to surface and aircraft measurements during each campaign, as well as satellite NH3 observations from the NOAA Cross-track Infrared Sounder (CrIS) and satellite observations of NO2 and SO2 from the NASA Ozone Monitoring Instrument (OMI). We also present an evaluation of the California Air Resources Board (CARB) NH3 emissions for 2012 using CMAQ and the CrIS NH3 observations. We discuss the lessons learned in using CrIS NH3 observations in the southeast US, where CMAQ predicts most of the gas-phase NH3 is very close to the surface, and contrast this with the use of CrIS NH3 observations over California. We discuss the use of two methods - a mass balance approach and an approach using the CMAQ adjoint - to optimize these emissions and evaluate the improvement in model performance for gas-phase NH3, NOx, and SO2, as well as for the formation of O3 and PM2.5.

  3. UF6 and UF4 in liquid ammonia: [UF7(NH3)]3- and [UF4(NH3)4].

    Science.gov (United States)

    Kraus, Florian; Baer, Sebastian A

    2009-08-17

    From the reaction of uranium hexafluoride UF6 with dry liquid ammonia, the [UF7(NH3)]3- anion and the [UF4(NH3)4] molecule were isolated and identified for the first time. They are found in signal-green crystals of trisammonium monoammine heptafluorouranate(IV) ammonia (1:1; [NH4]3[UF7(NH3)].NH3) and emerald-green crystals of tetraammine tetrafluorouranium(IV) ammonia (1:1; [UF4(NH3)4].NH3). [NH4]3[UF7(NH3)].NH3 features discrete [UF7(NH3)]3- anions with a coordination geometry similar to a bicapped trigonal prism, hitherto unknown for U(IV) compounds. The emerald-green [UF4(NH3)4].NH3 contains discrete tetraammine tetrafluorouranium(IV) [UF4(NH3)4] molecules. [UF4(NH3)4].NH3 is not stable at room temperature and forms pastel-green [UF4(NH3)4] as a powder that is surprisingly stable up to 147 degrees C. The compounds are the first structurally characterized ammonia complexes of uranium fluorides.

  4. Upper limits to interstellar NH+ and para-NH2- abundances. Herschel-HIFI observations towards Sgr B2 (M) and G10.6-0.4 (W31C)

    CERN Document Server

    Persson, C M; Hassel, G E; Olofsson, A O H; Black, J H; Herbst, E; Müller, H S P; Cernicharo, J; Wirström, E S; Olberg, M; Hjalmarson, Å; Lis, D C; Cuppen, H M; Gerin, M; Menten, K M

    2014-01-01

    The understanding of interstellar nitrogen chemistry has improved significantly with recent results from the Herschel Space Observatory. To set even better constraints, we report here on deep searches for the NH+ ground state rotational transition J=1.5-0.5 of the ^2Pi_1/2 lower spin ladder, with fine-structure transitions at 1013 and 1019 GHz, and the para-NH2- 1_1,1-0_0,0 rotational transition at 934 GHz towards Sgr B2(M) and G10.6-0.4 using Herschel-HIFI. No clear detections of NH+ are made and the derived upper limits are <2*10^-12 and <7*10^-13 in Sgr B2(M) and G10.6-0.4, respectively. The searches are complicated by the fact that the 1013 GHz transition lies only -2.5 km/s from a CH2NH line, seen in absorption in Sgr B2(M), and that the hyperfine structure components in the 1019 GHz transition are spread over 134 km/s. Searches for the so far undetected NH2- anion turned out to be unfruitful towards G10.6-0.4, while the para-NH2- 1_1,1-0_0,0 transition was tentatively detected towards Sgr B2(M) at...

  5. Enhanced performance of CH3NH3PbI3-x Cl x perovskite solar cells by CH3NH3I modification of TiO2-perovskite layer interface.

    Science.gov (United States)

    Wang, Wen; Zhang, Zongbao; Cai, Yangyang; Chen, Jinshan; Wang, Jianming; Huang, Riyan; Lu, Xubing; Gao, Xingsen; Shui, Lingling; Wu, Sujuan; Liu, Jun-Ming

    2016-12-01

    In this work, perovskite solar cells (PSCs) with CH3NH3PbI3-x Cl x as active layer and spiro-OMeTAD as hole-transport media have been fabricated by one-step method. The methylammonium iodide (CH3NH3I) solution with different concentrations is used to modify the interface between mesoporous TiO2 (meso-TiO2) film and CH3NH3PbI3-x Cl x perovskite layer. Several techniques including X-ray diffraction, scanning electron microscopy, optical absorption, electrochemical impedance spectroscopy (EIS) and photoluminescence are used to investigate the effect of the interfacial modification. It is found that the interfacial modification by CH3NH3I enhance the crystallinity and increase the grain size of CH3NH3PbI3-x Cl x layer, and improve the surface wetting properties of perovskite precursor on meso-TiO2 film. The sunlight absorption and external quantum efficiency of PSCs in the visible region with wavelength less than 600 nm have been improved. The Nyquist plots obtained from the EIS suggest that the CH3NH3I modification can reduce the charge recombination rates. The photoluminescence measurement shows that the exciton dissociation in the modified devices is more effective than that in the control samples. The photovoltaic performance of the modified devices can be significantly improved with respect to the reference (control) devices. The CH3NH3I modified devices at the optimized concentration demonstrate the average power conversion efficiency of 12.27 % in comparison with the average efficiency of 9.68 % for the reference devices.

  6. Enhanced performance of CH3NH3PbI3- x Cl x perovskite solar cells by CH3NH3I modification of TiO2-perovskite layer interface

    Science.gov (United States)

    Wang, Wen; Zhang, Zongbao; Cai, Yangyang; Chen, Jinshan; Wang, Jianming; Huang, Riyan; Lu, Xubing; Gao, Xingsen; Shui, Lingling; Wu, Sujuan; Liu, Jun-Ming

    2016-06-01

    In this work, perovskite solar cells (PSCs) with CH3NH3PbI3- x Cl x as active layer and spiro-OMeTAD as hole-transport media have been fabricated by one-step method. The methylammonium iodide (CH3NH3I) solution with different concentrations is used to modify the interface between mesoporous TiO2 (meso-TiO2) film and CH3NH3PbI3- x Cl x perovskite layer. Several techniques including X-ray diffraction, scanning electron microscopy, optical absorption, electrochemical impedance spectroscopy (EIS) and photoluminescence are used to investigate the effect of the interfacial modification. It is found that the interfacial modification by CH3NH3I enhance the crystallinity and increase the grain size of CH3NH3PbI3- x Cl x layer, and improve the surface wetting properties of perovskite precursor on meso-TiO2 film. The sunlight absorption and external quantum efficiency of PSCs in the visible region with wavelength less than 600 nm have been improved. The Nyquist plots obtained from the EIS suggest that the CH3NH3I modification can reduce the charge recombination rates. The photoluminescence measurement shows that the exciton dissociation in the modified devices is more effective than that in the control samples. The photovoltaic performance of the modified devices can be significantly improved with respect to the reference (control) devices. The CH3NH3I modified devices at the optimized concentration demonstrate the average power conversion efficiency of 12.27 % in comparison with the average efficiency of 9.68 % for the reference devices.

  7. Reinforcing graphene oxide/cement composite with NH$_2$ functionalizing group

    Indian Academy of Sciences (India)

    M EBRAHIMIZADEH ABRISHAMI; V ZAHABI

    2016-08-01

    In this study, pure and NH$_2$-functionalized graphene oxide (GO) nanosheets have been added to the cement mortar with different weight percents (0.05, 0.10, 0.15, 0.20 and 0.25 wt%). In addition, the effects of functionalizing GO on the microstructure and mechanical properties (flexural/compressive strengths) of cement composite have been investigated for the first time. Scanning electron microscopy (SEM) images showed that GO filledthe pores and well dispersed in concrete matrix, whereas exceeding GO additive from 0.10 wt% caused the formation of agglomerates and microcracks. In addition, mercury intrusion porosimetry confirmed the significant effects of GO and functionalizing groups on filling the pores. NH2-functionalizing helped to improve the cohesion between GO nanosheets and cement composite. Compressive strengths increased from 39 MPa for the sample without GO to54.23 MPa for the cement composites containing 0.10 wt% of NH$_2$-functionalized GO. Moreover, the flexural strength increased to 23.4 and 38.4% by compositing the cement paste with 0.10 wt% of pure and NH$_2$-functionalized GO, compared to the sample without GO, respectively. It was shown that functionalizing considerably enhanced the mechanical properties of GO/cement composite due to the interfacial strength between calcium silicatehydrates (C-S-H) gel and functionalized GO nanosheets as observed in SEM images. The morphological results were in good agreement with the trend obtained in mechanical properties of GO/cement composites.

  8. Direct observation of intrinsic twin domains in tetragonal CH3NH3PbI3

    Science.gov (United States)

    Rothmann, Mathias Uller; Li, Wei; Zhu, Ye; Bach, Udo; Spiccia, Leone; Etheridge, Joanne; Cheng, Yi-Bing

    2017-01-01

    Organic–inorganic hybrid perovskites are exciting candidates for next-generation solar cells, with CH3NH3PbI3 being one of the most widely studied. While there have been intense efforts to fabricate and optimize photovoltaic devices using CH3NH3PbI3, critical questions remain regarding the crystal structure that governs its unique properties of the hybrid perovskite material. Here we report unambiguous evidence for crystallographic twin domains in tetragonal CH3NH3PbI3, observed using low-dose transmission electron microscopy and selected area electron diffraction. The domains are around 100–300 nm wide, which disappear/reappear above/below the tetragonal-to-cubic phase transition temperature (approximate 57 °C) in a reversible process that often ‘memorizes' the scale and orientation of the domains. Since these domains exist within the operational temperature range of solar cells, and have dimensions comparable to the thickness of typical CH3NH3PbI3 films in the solar cells, understanding the twin geometry and orientation is essential for further improving perovskite solar cells. PMID:28230064

  9. Effect of NH4+-N/NO-3-N Ratios on Growth and Some Physiological Parameters of Chinese Cabbage Cultivars

    Institute of Scientific and Technical Information of China (English)

    CHEN Wei; LUO Jin-Kui; SHEN Qi-Rong

    2005-01-01

    The responses of three cultivars of Chinese cabbage (Brassica chinensis L.), one of the main vegetable crops in China,to different ratios of NH4+-N/NO-3-N was investigated to find the optimal ratio of ammonium to nitrate for maximal growth and to explore ways of decreasing the nitrate content, increasing nitrogen use efficiency of Chinese cabbage, and determining distributions of nitrogen and carbon. Three cultivars of Chinese cabbage were hydroponically grown with three different NH4+-N/NO-3-N ratios (0:100, 25:75 and 50:50). The optimal ratio of NH4+-N/NO-3-N for maximal growth of Chinese cabbage was 25:75. The increase in the ratio of NH4+-N/NO-3-N significantly decreased nitrate content in various tissues of Chinese cabbage in the order of petiole > leaf blade > root. The highest total nitrogen (N) content was found when the ratio of NH4+-N/NO-3-N was 25:75, and N contents in plant tissues were significantly different, mostly being in the order of leaf blade > petiole > root. At the NH4+-N/NO-3-N ratio of 25:75, the biomasses of Chinese cabbage nitrate and total nitrogen contents were lower. Thus, partial replacement of nitrate by ammonium could improve vegetable production by both increasing yields and decreasing nitrate content of the plants.

  10. Fabrication and characterization of perovskite-based CH3NH3Pb1-xAsxI3+xCly photovoltaic devices

    Science.gov (United States)

    Hamatani, Tsuyoshi; Shirahata, Yasuhiro; Ohishi, Yuya; Fukaya, Misaki; Oku, Takeo

    2017-01-01

    Effects of AsI3 and NH4Cl addition to perovskite CH3NH3PbI3 precursor solutions on photovoltaic properties were investigated. TiO2/CH3NH3Pb(As)I3(Cl)-based photovoltaic devices were fabricated by a spin-coating technique, and the microstructures of the devices were investigated by X-ray diffraction and scanning electron microscopy. Current density-voltage characteristics and incident photon-to-current conversion efficiencies were improved by a small amount of As- and Cl-doping, which resulted in improvement of the efficiencies of the devices.

  11. Development and uncertainty analysis of a high-resolution NH3 emissions inventory and its implications with precipitation over the Pearl River Delta region, China

    Directory of Open Access Journals (Sweden)

    W. W. Che

    2011-12-01

    Full Text Available Detailed NH3 emission inventories are important to understand various atmospheric processes, air quality modeling study, air pollution management, and related environmental and ecological issues. A high-resolution NH3 emission inventory is developed based on the state-of-the-science techniques, the up-to-date information, and the advanced expert knowledge for the Pearl River Delta region, China. To provide model-ready emissions input, this NH3 emissions inventory is spatially allocated to 3 km × 3 km grid cells using source-based spatial surrogates with Geographical Information System (GIS technology. For NH3 emissions, 9 source categories and 45 sub-categories are identified in this region, and detailed spatial and temporal characteristics are investigated. Results show that livestock is by far the most important NH3 emission source that contributes about 61.7% of the total NH3 emissions in this region, followed by nitrogen fertilizer applications (~23.7% and non-agricultural sources (~14.6%. Uncertainty analysis reveals that the uncertainties associated with different sources vary from source to source and the magnitude of the uncertainty associated with a specific source mainly depends on the degree of accuracy of the emission factors and activity data as well as the technique used to perform the estimate. The validity of the NH3 emissions inventory is justified by the trend analysis of local rainwater compositions, especially pH values, the Ca2+ + NH4+/SO42− + NO3− ratios, and NH4+ concentrations which are directly or indirectly related to NH3 emissions. Based on the analysis, recommendations for additional work to further improve the accuracy of the NH3 emissions inventory are also discussed and proposed.

  12. Generation of nanopores during desorption of NH3 from Mg(NH3)6Cl2

    DEFF Research Database (Denmark)

    Hummelshøj, Jens Strabo; Sørensen, Rasmus Zink; Kostova, M.Y.;

    2006-01-01

    It is shown that nanopores are formed during desorption of NH3 from Mg(NH3)6Cl2, which has been proposed as a hydrogen storage material. The system of nanopores facilitates the transport of desorbed ammonia away from the interior of large volumes of compacted storage material. DFT calculations show...... that there exists a continuous path from the initial Mg(NH3)6Cl2 material to MgCl2 that does not involve large-scale material transport. Accordingly, ammonia desorption from this system is facile....

  13. GLOBEC NEP Northern California Current Bird Data NH0005, 0007

    Data.gov (United States)

    National Oceanic and Atmospheric Administration, Department of Commerce — GLOBEC (GLOBal Ocean ECosystems Dynamics) NEP (Northeast Pacific) Northern California Current Bird Data from R/V New Horizon cruises NH0005 and 0007. As a part of...

  14. The weak fundamental NH-stretching transition in amines

    Science.gov (United States)

    Schrøder, Sidsel D.; Hansen, Anne S.; Wallberg, Jens H.; Nielsen, Anne R.; Du, Lin; Kjaergaard, Henrik G.

    2017-02-01

    Absolute intensities of NH-stretching fundamental and overtone transitions of gas phase aniline, methylamine, ethylamine, cyclopropylamine, methylethylamine, diethylamine and pyrrolidine have been measured with long path length conventional absorption spectroscopy. To support the assignments of NH-stretching transitions, transition frequencies and intensities were calculated with the local mode model using ab initio calculated local mode parameters and dipole moment functions obtained at the CCSD(T)-F12a/VDZ-F12 level of theory. For aniline, the absolute intensities of the NH-stretching transitions show the typical decrease of approximately an order of magnitude for each successive vibrational excitation. For methylamine, ethylamine, cyclopropylamine, methylethylamine, diethylamine and pyrrolidine, the observed absolute intensities of the fundamental NH-stretching transition is weak and of similar strength or even weaker than the corresponding first overtone transition. Characteristic for the amines with a normal fundamental intensity is a conjugated double bond next to the amine group.

  15. Multisensor Analyzed Sea Ice Extent - Northern Hemisphere (MASIE-NH)

    Data.gov (United States)

    National Oceanic and Atmospheric Administration, Department of Commerce — The Multisensor Analyzed Sea Ice Extent Northern Hemisphere (MASIE-NH) products provide measurements of daily sea ice extent and sea ice edge boundary for the...

  16. Estimating NH3 emissions from agricultural fertilizer application in China using the bi-directional CMAQ model coupled to an agro-ecosystem model

    Science.gov (United States)

    Fu, X.; Wang, S. X.; Ran, L. M.; Pleim, J. E.; Cooter, E.; Bash, J. O.; Benson, V.; Hao, J. M.

    2015-06-01

    Atmospheric ammonia (NH3) plays an important role in atmospheric aerosol chemistry. China is one of the largest NH3 emitting countries with the majority of NH3 emissions coming from agricultural practices, such as fertilizer application and livestock production. The current NH3 emission estimates in China are mainly based on pre-defined emission factors that lack temporal or spatial details, which are needed to accurately predict NH3 emissions. This study provides the first online estimate of NH3 emissions from agricultural fertilizer application in China, using an agricultural fertilizer modeling system which couples a regional air quality model (the Community Multi-scale Air Quality model, or CMAQ) and an agro-ecosystem model (the Environmental Policy Integrated Climate model, or EPIC). This method improves the spatial and temporal resolution of NH3 emissions from this sector. We combined the cropland area data of 14 crops from 2710 counties with the Moderate Resolution Imaging Spectroradiometer (MODIS) land use data to determine the crop distribution. The fertilizer application rates and methods for different crops were collected at provincial or agricultural region levels. The EPIC outputs of daily fertilizer application and soil characteristics were input into the CMAQ model and the hourly NH3 emissions were calculated online with CMAQ running. The estimated agricultural fertilizer NH3 emissions in this study were approximately 3 Tg in 2011. The regions with the highest modeled emission rates are located in the North China Plain. Seasonally, peak ammonia emissions occur from April to July. Compared with previous researches, this study considers an increased number of influencing factors, such as meteorological fields, soil and fertilizer application, and provides improved NH3 emissions with higher spatial and temporal resolution.

  17. NH and Mg Index Trends in Elliptical Galaxies

    CERN Document Server

    Serven, Jedidiah; Toloba, Elisa; Sánchez-Blázquez, Patricia

    2010-01-01

    We examine the spectrum in the vicinity of the NH3360 index of Davidge & Clark (1994), which was defined to measure the NH absorption around 3360 ̊A and which shows almost no trend with velocity dispersion (Toloba et al. 2009), unlike other N- sensitive indices, which show a strong trend (Graves et al. 2007). Computing the effect of individual elements on the integrated spectrum with synthetic stellar population integrated spectra, we find that, while being well correlated with nitrogen abundance, NH3360 is almost equally well anti-correlated with Mg abundance. This prompts the definition of two new indices, Mg3334, which is mostly sensitive to magnesium, and NH3375, which is mostly sensitive to nitrogen. Rather surprisingly, we find that the new NH3375 index shows a trend versus optical absorption feature indices that is as shallow as the NH3360 index. We hypothesize that the lack of a strong index trend in these near-UV indices is due to the presence of an old metal-poor component of the galactic pop...

  18. An Improved AC-BM Algorithm for Monitoring Watch List

    Directory of Open Access Journals (Sweden)

    Mo Yiwen

    2013-07-01

    Full Text Available With the expanding of database of the watch list of anti-money laundering, improving the speed in matching between the watch list and the database of account holders and clients’ transaction is especially important. This paper proposes an improved AC-BM Algorithm, a matching algorithm of subsection, to improve the speed of matching. Experiment results show the time performance of the improved algorithm is better than traditional BM algorithm, AC algorithm and the AC-BM algorithm. It can improve the efficiency of on-line monitoring of anti-money laundering.  

  19. High efficiency CH3NH3PbI3:CdS perovskite solar cells with CuInS2 as the hole transporting layer

    Science.gov (United States)

    Chen, Chong; Zhai, Yong; Li, Fumin; Tan, Furui; Yue, Gentian; Zhang, Weifeng; Wang, Mingtai

    2017-02-01

    The CH3NH3PbI3:CdS composite films are prepared by a newly developed precursor blending solution method, which are further used to fabricate CH3NH3PbI3:CdS perovskite solar cells. Our experimental results demonstrate that the introduced CdS effectively improves the light absorption property of the ITO/CuInS2/Al2O3/CH3NH3PbI3:CdS film stack and decreases the charge recombination in the prepared solar cells due to the formation of CH3NH3PbI3/CdS bulk heterojunction. Furthermore, the formed CdS/CuInS2 heterojunction also contributes to the enhanced efficiency. As a consequence, the CH3NH3PbI3/CdS bulk heterojunction perovskite solar cells exhibit a maximum power conversion efficiency of (16.5 ± 0.2)%, which is 1.35 times the best efficiency of 12.2% of previously reported CdS/CH3NH3PbI3 bilayer solar cell. In addition, this efficiency is a 59% improvement compared with the efficiency of (10.4 ± 0.2)% for the ITO/CuInS2/Al2O3/CH3NH3PbI3/PC60BM/Ag cell without CdS.

  20. Response to nitrate/ammonium nutrition of tomato (Solanum lycopersicum L.) plants overexpressing a prokaryotic NH4(+)-dependent asparagine synthetase.

    Science.gov (United States)

    Martínez-Andújar, Cristina; Ghanem, Michel Edmond; Albacete, Alfonso; Pérez-Alfocea, Francisco

    2013-05-01

    Nitrogen availability is an important limiting factor for plant growth. Although NH4(+) assimilation is energetically more favorable than NO3(-), it is usually toxic for plants. In order to study if an improved ammonium assimilatory metabolism could increase the plant tolerance to ammonium nutrition, tomato (Solanum lycopersicum L. cv P-73) plants were transformed with an NH4(+)-dependent asparagine synthetase (AS-A) gene from Escherichia coli (asnA) under the control of a PCpea promoter (pea isolated constitutive promotor). Homozygous (Hom), azygous (Az) asnA and wild type (WT) plants were grown hydroponically for 6 weeks with normal Hoagland nutrition (NO3(-)/NH4(+)=6/0.5) and high ammonium nutrition (NO3(-)/NH4(+)=3.5/3). Under Hoagland's conditions, Hom plants produced 40-50% less biomass than WT and Az plants. However, under NO3(-)/NH4(+)=3.5/3 the biomass of Hom was not affected while it was reduced by 40-70% in WT and Az plants compared to Hoagland, respectively. The Hom plants accumulated 1.5-4 times more asparagine, glycine, serine and soluble proteins and registered higher glutamine synthetase (GS) and glutamate synthase (GOGAT) activities in the light-adapted leaves than the other genotypes, but had similar NH4(+) and NO3(-) levels in all conditions. In the dark-adapted leaves, a protein catabolism occurred in the Hom plants with a concomitant 25-40% increase in organic acid concentration, while asparagine accumulation registered the highest values. The aforementioned processes might be responsible for a positive energetic balance as regards the futile cycle of the transgenic protein synthesis and catabolism. This explains growth penalty under standard nutrition and growth stability under NO3(-)/NH4(+)=3.5/3, respectively. Copyright © 2013 Elsevier GmbH. All rights reserved.

  1. Metal-Borohydride-Modified Zr(BH4 )4 ⋅8 NH3 : Low-Temperature Dehydrogenation Yielding Highly Pure Hydrogen.

    Science.gov (United States)

    Huang, Jianmei; Ouyang, Liuzhang; Gu, Qinfen; Yu, Xuebin; Zhu, Min

    2015-10-12

    Due to its high hydrogen density (14.8 wt %) and low dehydrogenation peak temperature (130 °C), Zr(BH4 )4 ⋅8 NH3 is considered to be one of the most promising hydrogen-storage materials. To further decrease its dehydrogenation temperature and suppress its ammonia release, a strategy of introducing LiBH4 and Mg(BH4 )2 was applied to this system. Zr(BH4 )4 ⋅8 NH3 -4 LiBH4 and Zr(BH4 )4 ⋅8 NH3 -2 Mg(BH4 )2 composites showed main dehydrogenation peaks centered at 81 and 106 °C as well as high hydrogen purities of 99.3 and 99.8 mol % H2 , respectively. Isothermal measurements showed that 6.6 wt % (within 60 min) and 5.5 wt % (within 360 min) of hydrogen were released at 100 °C from Zr(BH4 )4 ⋅8 NH3 -4 LiBH4 and Zr(BH4 )4 ⋅8 NH3 -2 Mg(BH4 )2 , respectively. The lower dehydrogenation temperatures and improved hydrogen purities could be attributed to the formation of the diammoniate of diborane for Zr(BH4 )4 ⋅8 NH3 -4 LiBH4 , and the partial transfer of NH3 groups from Zr(BH4 )4 ⋅8 NH3 to Mg(BH4 )2 for Zr(BH4 )4 ⋅8 NH3 -2 Mg(BH4 )2 , which result in balanced numbers of BH4 and NH3 groups and a more active H(δ+) ⋅⋅⋅(-δ) H interaction. These advanced dehydrogenation properties make these two composites promising candidates as hydrogen-storage materials. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  2. Effects of SbBr3 addition to CH3NH3PbI3 solar cells

    Science.gov (United States)

    Oku, Takeo; Ohishi, Yuya; Suzuki, Atsushi

    2017-01-01

    TiO2/CH3NH3Pb1-xSbxI3-2xBr3x-based photovoltaic devices were fabricated, and effects of SbBr3 addition to CH3NH3PbI3 precursor solutions on the photovoltaic properties were investigated. The short-circuit current densities and photoconversion efficiencies were improved by adding a small amount of SbBr3 to the perovskite phase, which would be due to a doping effect of Sb or Br atoms at the Pb or I sites.

  3. The NH$_2$D hyperfine structure revealed by astrophysical observations

    CERN Document Server

    Daniel, F; Punanova, A; Harju, J; Faure, A; Roueff, E; Sipilä, O; Caselli, P; Güsten, R; Pon, A; Pineda, J E

    2016-01-01

    The 1$_{11}$-1$_{01}$ lines of ortho and para--NH$_2$D (o/p-NH$_2$D), respectively at 86 and 110 GHz, are commonly observed to provide constraints on the deuterium fractionation in the interstellar medium. In cold regions, the hyperfine structure due to the nitrogen ($^{14}$N) nucleus is resolved. To date, this splitting is the only one which is taken into account in the NH$_2$D column density estimates. We investigate how the inclusion of the hyperfine splitting caused by the deuterium (D) nucleus affects the analysis of the rotational lines of NH$_2$D. We present 30m IRAM observations of the above mentioned lines, as well as APEX o/p-NH$_2$D observations of the 1$_{01}$-0$_{00}$ lines at 333 GHz. The hyperfine spectra are first analyzed with a line list that only includes the hyperfine splitting due to the $^{14}$N nucleus. We find inconsistencies between the line widths of the 1$_{01}$-0$_{00}$ and 1$_{11}$-1$_{01}$ lines, the latter being larger by a factor of $\\sim$1.6$\\pm0.3$. Such a large difference is...

  4. Rotational Spectroscopy of the NH3-H2 Molecular Complex

    Science.gov (United States)

    Surin, L. A.; Tarabukin, I. V.; Schlemmer, S.; Breier, A. A.; Giesen, T. F.; McCarthy, M. C.; van der Avoird, A.

    2017-03-01

    We report the first high resolution spectroscopic study of the NH3–H2 van der Waals molecular complex. Three different experimental techniques, a molecular beam Fourier transform microwave spectrometer, a millimeter-wave intracavity jet OROTRON spectrometer, and a submillimeter-wave jet spectrometer with multipass cell, were used to detect pure rotational transitions of NH3–H2 in the wide frequency range from 39 to 230 GHz. Two nuclear spin species, (o)-NH3–(o)-H2 and (p)-NH3–(o)-H2, have been assigned as carriers of the observed lines on the basis of accompanying rovibrational calculations performed using the ab initio intermolecular potential energy surface (PES) of Maret et al. The experimental spectra were compared with the theoretical bound state results, thus providing a critical test of the quality of the NH3–H2 PES, which is a key issue for reliable computations of the collisional excitation and de-excitation of ammonia in the dense interstellar medium.

  5. Effects of Cl Addition to Sb-Doped Perovskite-Type CH3NH3PbI3 Photovoltaic Devices

    Directory of Open Access Journals (Sweden)

    Takeo Oku

    2016-06-01

    Full Text Available The effects of SbI3, PbCl2, and NH4Cl addition to perovskite CH3NH3PbI3 precursor solutions on photovoltaic properties were investigated. TiO2/CH3NH3Pb(SbI3(Cl-based photovoltaic devices were fabricated by a spin-coating technique, and the microstructures of the devices were investigated by X-ray diffraction and scanning electron microscopy. Current density-voltage characteristics and incident photon-to-current conversion efficiencies were improved by a small amount of Sb- and Cl-doping, which resulted in improvement of the efficiencies of the devices. The structure analysis indicated formation of a homogeneous microstructure by NH4Cl addition with SbI3.

  6. The Application of Subsection Hierarchical QFD in Large Engineering Project Management%分部递阶QFD分析法在大型工程项目管理中的应用

    Institute of Scientific and Technical Information of China (English)

    唐辉; 王冬梅; 汪勇

    2011-01-01

    Aiming at the parallel restrictions in large engineering projects,introduces the concept and theory model of Quality Function Deploymen(tQFD),discusses its deficiency on optimization of realizing ultimate goal and request of project parties,based on the mechanism of QFD,puts forward a new management method named Subsection Hi-erarchical QFD,introduces its concrete path by taking grandstand project in the Guangzhou Asian games as case,and points out the further research area.%针对大型工程项目中多种问题的并行约束,在对现有QFD概念及其理论模型进行分析的基础上,讨论QFD在大型工程项目管理中实现项目各方最终目标和要求最佳化方面存在的不足。在保持现有QFD方法机理不变的前提下,提出分部递阶QFD的管理新方法,以广州亚运看台工程为例介绍该方法的具体路径,并指出需进一步研究的方向。

  7. Wet Mechanochemical Processing of Celestine using (NH42CO3

    Directory of Open Access Journals (Sweden)

    Deniz Bingöl

    2017-06-01

    Full Text Available In this study, traditional (univariate method of processing to the wet mechanochemical treatment were applied to obtain both SrCO3 and (NH42SO4 from celestite (SrSO4-(NH42CO3-H2O mixtures in a planetary ball mill. X-ray diffraction, Fourier transform infrared spectroscopy, scanning electron microscopy, and chemical analysis were used to analyze products formed during wet milling. A hydrometallurgical process was carried out to examine milling time, ball to grinding material mass ratio, (NH42CO3 to SrSO4 mole ratio and rotational speed of the mill in a planetary mill. Under optimum conditions, a conversion approaching 100% of SrCO3 was obtained.

  8. Investigation of Catalytic Effects and Compositional Variations in Desorption Characteristics of LiNH2-nanoMgH2

    Directory of Open Access Journals (Sweden)

    Sesha S. Srinivasan

    2017-07-01

    Full Text Available LiNH2 and a pre-processed nanoMgH2 with 1:1 and 2:1 molar ratios were mechano-chemically milled in a high-energy planetary ball mill under inert atmosphere, and at room temperature and atmospheric pressure. Based on the thermogravimetric analysis (TGA experiments, 2LiNH2-nanoMgH2 demonstrated superior desorption characteristics when compared to the LiNH2-nanoMgH2. The TGA studies also revealed that doping 2LiNH2-nanoMgH2 base material with 2 wt. % nanoNi catalyst enhances the sorption kinetics at lower temperatures. Additional investigation of different catalysts showed improved reaction kinetics (weight percentage of H2 released per minute of the order TiF3 > nanoNi > nanoTi > nanoCo > nanoFe > multiwall carbon nanotube (MWCNT, and reduction in the on-set decomposition temperatures of the order nanoCo > TiF3 > nanoTi > nanoFe > nanoNi > MWCNT for the base material 2LiNH2-nanoMgH2. Pristine and catalyst-doped 2LiNH2-nanoMgH2 samples were further probed by X-ray diffraction, Fourier transform infrared spectroscopy, transmission and scanning electron microscopies, thermal programmed desorption and pressure-composition-temperature measurements to better understand the improved performance of the catalyst-doped samples, and the results are discussed.

  9. Formulation of an inhibitor radiopharmaceutical of prostatic antigen of {sup 177}Lu-Glu-Nh-CO-Nh-Lys membrane; Formulacion de un radiofarmaco inhibidor del antigeno prostatico de membrana {sup 177}Lu-Glu-NH-CO-NH-Lys

    Energy Technology Data Exchange (ETDEWEB)

    Ortega S, D.

    2015-07-01

    The prostate specific membrane antigen (PSMA) is a zinc metalloenzyme that is expressed on the cell membrane and highly expressed in prostate cancer. Recently, it has been demonstrated that the peptide sequence Glu-Nh-CO-Nh-Lys inhibit PSMA activity through an electrostatic interaction with the Zn. Several theragnostic radiopharmaceuticals with base in {sup 177}Lu have been developed for radiotherapy of specific molecular targets because gamma and beta emissions of the radionuclide (β = 0.498 MeV and γ= 0.133 MeV). However, there is currently no label a formulation for preparing a radiopharmaceutical of {sup 177}Lu-Glu-Nh-CO-Nh-Lys useful treatment of prostate cancer. The aim of this research was to optimize and document the process of production of the radiopharmaceutical {sup 177}Lu-Glu-Nh-CO-Nh-Lys for sanitary registration application before the Comision Federal para la Proteccion contra Riesgos Sanitarios (COFEPRIS). The optimization of the production process was assessed a factorial design of three variables with mixed levels (3 x 3 x 2) where the dependent variable is the radiochemical purity, the analytical method was validated by UV-Vis spectrophotometry. Next, process validation was carried out by labeling 3 lots of the optimized formulation of the radiopharmaceutical (5.55 GBq (2.16 μg) of {sup 177}LuCl{sub 3}, 90 mg peptide PSMA, 50 mg ascorbic acid and 150 μL of acetate buffer 1 M ph 5), long-term stability was performed by high resolution liquid chromatography) to determine its useful shelf life. 3 validation batches were prepared under protocols of Good Manufacturing Practice (GMP) in the Production Plant of Radiopharmaceuticals of the Instituto Nacional de Investigaciones Nucleares (ININ), meet specifications preset by obtaining a sterile and free development of bacterial endotoxin yields of labeled 100% and which retains its quality characteristics radiochemical purity greater than 90% for at least 15 days. (Author)

  10. First detection of ammonia (NH3) in the upper troposphere

    Science.gov (United States)

    Höpfner, Michael; Volkamer, Rainer; Grabowski, Udo; Grutter de la Mora, Michel; Orphal, Johannes; Stiller, Gabriele; von Clarmann, Thomas

    2016-04-01

    Ammonia (NH3) is the major alkaline trace gas in the troposphere. Neutralization of atmospheric acids, like HNO3 and H2SO4, leads to formation of ammonium nitrate and ammonium sulfate aerosols. Further, there are indications that NH3 may enhance nucleation of sulfuric acid aerosols by stabilization of sulfuric acid clusters. By far the largest source of ammonia is agricultural food production. Major global emissions are located in S-E Asia as e.g. shown by satellite nadir observations. Besides its importance with respect to air quality issues, an increase of ammonia emissions in the 21st century might lead to a significant climate radiative impact through aerosol formation. In spite of its significance, there is a lack of observational information on the global distribution of NH3 in the mid- and upper troposphere. Observational evidence, however, would be important for testing e.g. model results on the fate of ammonia from its source regions on ground to altitudes up to the tropopause. In this contribution we will show, to our knowledge, the first unequivocal detection of ammonia in the upper troposphere. This result has been achieved through analysis of infrared limb-emission observations performed with the MIPAS (Michelson Interferometer for Passive Atmospheric Sounding) instrument on board the Envisat satellite from 2002-2012. On a global scale, enhanced values of ammonia have been measured in the upper tropospheric region influenced by the Asian monsoon. We will present a quantitative analysis of the retrieved concentrations of NH3 including an error assessment and further retrieval diagnostics. The results will be discussed with respect to the variability of NH3 locally within the Asian monsoon region's upper troposphere and at different years. Further, we will show comparisons between global distributions of NH3 from published model simulations and our observational dataset from MIPAS.

  11. Urban NH3 levels and sources in a Mediterranean environment

    Science.gov (United States)

    Reche, Cristina; Viana, Mar; Pandolfi, Marco; Alastuey, Andrés; Moreno, Teresa; Amato, Fulvio; Ripoll, Anna; Querol, Xavier

    2012-09-01

    Urban NH3 concentrations were mapped in Barcelona (Spain) by means of passive samplers (dosimeters). Average NH3 levels were 9.5 μg m-3 in summer and 4.4 μg m-3 in winter, higher than those reported in other urban background sites in Europe, this being especially notable in summer. During this season, values were significantly higher at urban background than at traffic sites, probably indicating the impact of emissions from biological sources, such as humans, sewage systems and garbage containers. Thus, the volatilization of NH3 from the aerosol phase seems to be significant enough during summer to dominate over traffic emissions. Conversely, in winter levels were higher at traffic sites, suggesting a contribution from vehicle emissions. Indeed, NH3 levels decreased by 55% with increasing distance (50 m) to the direct emissions from traffic. A significant correlation between NH3 concentrations averaged for the different districts of the city and the number of waste containers per hm2 was also obtained, highlighting the necessity for controlling and reducing the emissions from garbage collection systems. The urban topography of the Barcelona historical city centre, characterised by narrow streets with a high population density, seemed to exert a strong influence on NH3 levels, with levels reaching up to 30 μg m-3 as a consequence of limited dispersion and ventilation conditions. The impact of the sewage system emissions was also detected with an increase of levels when measuring immediately above the source, even though further studies are required to evaluate the relevance of these emissions.

  12. General working principles of CH3NH3PbX3 perovskite solar cells.

    Science.gov (United States)

    Gonzalez-Pedro, Victoria; Juarez-Perez, Emilio J; Arsyad, Waode-Sukmawati; Barea, Eva M; Fabregat-Santiago, Francisco; Mora-Sero, Ivan; Bisquert, Juan

    2014-02-12

    Organometal halide perovskite-based solar cells have recently realized large conversion efficiency over 15% showing great promise for a new large scale cost-competitive photovoltaic technology. Using impedance spectroscopy measurements we are able to separate the physical parameters of carrier transport and recombination in working devices of the two principal morphologies and compositions of perovskite solar cells, viz. compact thin films of CH3NH3PbI(3-x)Clx and CH3NH3PbI3 infiltrated on nanostructured TiO2. The results show nearly identical spectral characteristics indicating a unique photovoltaic operating mechanism that provides long diffusion lengths (1 μm). Carrier conductivity in both devices is closely matched, so that the most significant differences in performance are attributed to recombination rates. These results highlight the central role of the CH3NH3PbX3 semiconductor absorber in carrier collection and provide a new tool for improved optimization of perovskite solar cells. We report for the first time a measurement of the diffusion length in a nanostructured perovskite solar cell.

  13. Crystal Structure Formation of CH3NH3PbI3-xClx Perovskite

    Directory of Open Access Journals (Sweden)

    Shiqiang Luo

    2016-02-01

    Full Text Available Inorganic-organic hydride perovskites bring the hope for fabricating low-cost and large-scale solar cells. At the beginning of the research, two open questions were raised: the hysteresis effect and the role of chloride. The presence of chloride significantly improves the crystallization and charge transfer property of the perovskite. However, though the long held debate over of the existence of chloride in the perovskite seems to have now come to a conclusion, no prior work has been carried out focusing on the role of chloride on the electronic performance and the crystallization of the perovskite. Furthermore, current reports on the crystal structure of the perovskite are rather confusing. This article analyzes the role of chloride in CH3NH3PbI3-xClx on the crystal orientation and provides a new explanation about the (110-oriented growth of CH3NH3PbI3 and CH3NH3PbI3-xClx.

  14. Latest nH analysis in the Double Chooz experiment

    CERN Document Server

    Yang, Guang

    2015-01-01

    Precise measurement of the neutrino mixing angle $\\theta_{13}$ is the primary goal of the Double Chooz Experiment (DC), which is located in Chooz, France. The inverse beta decay process provides a unique signature of reactor anti-neutrino interactions, giving prompt signals from positron annihilation and delayed signals from neutron capture by either Gadolinium (Gd) or Hydrogen (H). This paper is dedicated to the latest nH analysis in Double Chooz. Typically, The Gd analysis is primary since fewer background events are involved. However, with accurate estimates of backgrounds and a precise reconstruction of energy, the nH analysis gives a powerful independent measurement of $\\theta_{13}$.

  15. In situ IR studies of Co and Ce doped Mn/TiO2 catalyst for low-temperature selective catalytic reduction of NO with NH3

    Science.gov (United States)

    Qiu, Lu; Pang, Dandan; Zhang, Changliang; Meng, Jiaojiao; Zhu, Rongshu; Ouyang, Feng

    2015-12-01

    The Mn-Co-Ce/TiO2 catalyst was prepared by wet co-impregnation method for selective catalytic reduction of NO by NH3 in the presence of oxygen. The adsorption and co-adsorption of NH3, NO and O2 on catalysts were investigated by in situ FTIR spectroscopy. The results suggested that addition of cobalt and cerium oxides increased the numbers of acid and redox sites. Especially, the cobalt oxide produced lots of Brønsted acid sites, which favor to the adsorption of coordinated NH3 through NH3 migration. Ce addition improved amide ions formation to reach best NO reduction selectivity. A mechanistic pathway over Mn-Co-Ce/TiO2 was proposed. At low-temperature SCR reaction, coordinated NH3 reacted with NO2-, and amide reacted with NO (ad) or NO (g) to form N2. NO2 was related to the formation of nitrite on Co-contained catalysts and the generation of sbnd NH2- on Ce-contained catalysts. At high temperature, the other branch reaction also occurred between the coordinated NH3 and nitrate species, resulting in N2O yield increase.

  16. New syntheses and structural characterization of NH3BH2Cl and (BH2NH2)3 and thermal decomposition behavior of NH3BH2Cl.

    Science.gov (United States)

    Lingam, Hima K; Wang, Cong; Gallucci, Judith C; Chen, Xuenian; Shore, Sheldon G

    2012-12-17

    New convenient procedures for the preparation of ammonia monochloroborane (NH(3)BH(2)Cl) and cyclotriborazane [(BH(2)NH(2))(3)] are described. Crystal structures have been determined by single-crystal X-ray diffraction. Strong H···Cl···H bifurcated hydrogen bonding and weak N-H···H dihydrogen bonding are observed in the crystal structure of ammonia monochloroborane. When heated at 50 °C or under vacuum, ammonia monochloroborane decomposes to (NH(2)BHCl)(x), which was characterized by NMR, elemental analysis, and powder X-ray diffraction. Redetermination of the crystal structure of cyclotriborazane at low temperature by single-crystal X-ray diffraction analysis provides accurate hydrogen positions. Similar to ammonia borane, cyclotriborazane shows extensive dihydrogen bonding of N-H···H and B-H···H bonds with H(δ+)···H(δ-) interactions in the range of 2.00-2.34 Å.

  17. NH[sub 3] semi-hermetic compressor from ILKA Mafa. NH[sub 3]-Halbhermetikverdichter von ILKA Mafa

    Energy Technology Data Exchange (ETDEWEB)

    Anon.

    1999-03-01

    Towards the end of the lecture programme at the 1998 DKV Congress there was a well-visited and interesting lecture by Dipl.-Ing. Siegfried Laute on the revolutionary development by ILKA Mafa Kltemaschinenbau GmbH from Halle of the NH[sub 3] semi-hermetic compressor and on the results obtained with it in the course of its five years' use in practice (see DKV Report KK 2/99, p. 19). This development is of the greatest importance for the further spread of NH[sub 3] as a substitute for R22 as well as for applications which have always worked with NH[sub 3].

  18. New series of potent delta-opioid antagonists containing the H-Dmt-Tic-NH-hexyl-NH-R motif.

    Science.gov (United States)

    Li, Tingyou; Shiotani, Kimitaka; Miyazaki, Anna; Fujita, Yoshio; Tsuda, Yuko; Ambo, Akihiro; Sasaki, Yusuke; Jinsmaa, Yunden; Marczak, Ewa; Bryant, Sharon D; Lazarus, Lawrence H; Okada, Yoshio

    2005-12-15

    Heterodimeric compounds H-Dmt-Tic-NH-hexyl-NH-R (R=Dmt, Tic, and Phe) exhibited high affinity to delta- (K(i)delta=0.13-0.89nM) and mu-opioid receptors (K(i)mu=0.38-2.81nM) with extraordinary potent delta antagonism (pA(2)=10.2-10.4). These compounds represent the prototype for a new class of structural homologues lacking mu-opioid receptor-associated agonism (IC(50)=1.6-5.8muM) based on the framework of bis-[H-Dmt-NH]-alkyl (Okada, Y.; Tsuda, Y.; Fujita, Y.; Yokoi, T.; Sasaki, Y.; Ambo, A.; Konishi, R.; Nagata, M.; Salvadori, S.; Jinsmaa, Y.; Bryant, S. D.; Lazarus, L. H. J. Med. Chem.2003, 46, 3201), which exhibited both high mu affinity and bioactivity.

  19. THE KINETICS OF NH(4)+ AND NO3(-) UPTAKE BY DOUGLAS-FIR FROM SINGLE N-SOLUTIONS AND FROM SOLUTIONS CONTAINING BOTH NH(4)+ AND NO3(-)

    NARCIS (Netherlands)

    KAMMINGAVANWIJK, C; PRINS, HBA

    The kinetics of NH4+ and NO3- uptake in young Douglas fir trees (Pseudotsuga menziesii [Mirb.] Franco) were studied in solutions, containing either one or both N species. Using solutions containing a single N species, the V(max) of NH4+ uptake was higher than that of NO3- uptake. The K(m) of NH4+

  20. Field scale measurements of NH3 emissions

    Science.gov (United States)

    Neftel, Albrecht; Ammann, Christof; Kuhn, Uwe; Sintermann, Jörg; Lehuger, Simon; Gärtner, Andrea; Hirschberger, Rainer

    2010-05-01

    The uncertainty in the ammonia emissions after application of organic manure contributes to a large extent to the overall uncertainties of the nitrogen budget of managed grassland systems (Ammann et al., 2009). Due to the sticky nature of the ammonia molecule and the variability of the emission fluxes the experimental determination is still a major challenge and a wide spread range of emission factors can be found in the literature. We report on two field experiments performed in August 2009 at the NitroEurope site in Oensingen, Switzerland. The ammonia emission flux after liquid manure application was investigated simultaneously by various micrometeorological methods: (1) a mass balance approach measuring the horizontal advection flux with open-path FTIR sensors (Gärtner et al., 2008), (2) aerodynamic gradient methods, and (3) eddy covariance measurements based on a novel fast ammonia analyser. Due to the sequential application of the manure and the fast decrease of the ammonia volatilisation, detailed footprint calculations (Neftel et al., 2008) and corrections with a high temporal resolution were crucial for obtaining representative emission fluxes. The plausibility of flux measurements has been evaluated with back trajectories simulations (WindTrax, Flesch et al., 2009). The results of all applied flux measurement methods confirmed the low emission levels found earlier by Spirig et al. (2009). A comparison of the field observations with results of process oriented models showed considerable differences in the temporal course of the ammonia emission indicating the need for improvements of the models. References: Ammann, C., Spirig, C., Leifeld, J. and Neftel, A.: Assessment of the nitrogen and carbon budget of two managed temperate grassland fields, Agric. Ecosyst. Environ., 133, 150-162, 2009. Flesch, T.K., Harper, L.A., Desjardins, R.L., Gao, Z., and Crenna, B.: Multi-Source Emission Determination Using an Inverse-Dispersion Technique. Boundary-Layer Meteorol

  1. α-NH4Fe(HAsO42

    Directory of Open Access Journals (Sweden)

    Najoua Ouerfelli

    2014-06-01

    Full Text Available The title compound α-ammonium iron(III bis[hydrogen arsenate(V], α-NH4Fe(HAsO42 (or poly[ammonium bis(μ-hydrogen arsenatoferrate(III], {NH4[Fe(HAsO42]}n, synthesized hydrothermally, is isostructural with NH4Fe(HPO42. Condensation of the hydrogen arsenate groups with FeO6 coordination octahedra via common corners results in an overall three-dimensional framework containing interconnected channels parallel to the a-, b- and c-axis directions. The NH4+ cations are located in three intersecting tunnels, which is promising as an ion exchange. Hydrogen bonding of the types O—H...O and N—H...O consolidates the packing of the structure. The distortion of the coordination polyhedra is analyzed by means of the effective coordination number and distortion indices. Structural relationships with other compounds of general formula MIMIII[HXO4]2 (X = P, As are discussed.

  2. 77 FR 74725 - New Hampshire Disaster #NH-00024

    Science.gov (United States)

    2012-12-17

    ... ADMINISTRATION New Hampshire Disaster NH-00024 AGENCY: U.S. Small Business Administration. ACTION: Notice... completed loan applications to: U.S. Small Business Administration, Processing and Disbursement Center... Disaster Assistance, U.S. Small Business Administration, 409 3rd Street SW., Suite 6050, Washington,...

  3. 78 FR 48764 - New Hampshire Disaster # NH-00026

    Science.gov (United States)

    2013-08-09

    ... ADMINISTRATION New Hampshire Disaster NH-00026 AGENCY: U.S. Small Business Administration. ACTION: Notice.../02/2014. ADDRESSES: Submit completed loan applications to: U.S. Small Business Administration... CONTACT: A. Escobar, Office of Disaster Assistance, U.S. Small Business Administration, 409 3rd Street...

  4. 76 FR 77578 - New Hampshire Disaster #NH-00022

    Science.gov (United States)

    2011-12-13

    ... ADMINISTRATION New Hampshire Disaster NH-00022 AGENCY: U.S. Small Business Administration. ACTION: Notice...: Submit completed loan applications to: U.S. Small Business Administration, Processing and Disbursement... of Disaster Assistance, U.S. Small Business Administration, 409 3rd Street SW., Suite...

  5. Observation of lower defect density in CH{sub 3}NH{sub 3}Pb(I,Cl){sub 3} solar cells by admittance spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Jiang, Minlin; Lan, Fei; Tao, Quan; Li, Guangyong, E-mail: gaod@pitt.edu, E-mail: gul6@pitt.edu [Department of Electrical and Computer Engineering, University of Pittsburgh, Pittsburgh, Pennsylvania 15260 (United States); Zhao, Bingxin [Department of Chemical and Petroleum Engineering, University of Pittsburgh, Pittsburgh, Pennsylvania 15260 (United States); Key Laboratory of Advanced Functional Materials, College of Materials Science and Engineering, Beijing University of Technology, Beijing 100124 (China); Wu, Jiamin; Gao, Di, E-mail: gaod@pitt.edu, E-mail: gul6@pitt.edu [Department of Chemical and Petroleum Engineering, University of Pittsburgh, Pittsburgh, Pennsylvania 15260 (United States)

    2016-06-13

    The introduction of Cl into CH{sub 3}NH{sub 3}PbI{sub 3} precursors is reported to enhance the performance of CH{sub 3}NH{sub 3}PbI{sub 3} solar cell, which is attributed to the significantly increased diffusion lengths of carriers in CH{sub 3}NH{sub 3}Pb(I,Cl){sub 3} solar cell. It has been assumed but never experimentally approved that the defect density in CH{sub 3}NH{sub 3}Pb(I,Cl){sub 3} solar cell should be reduced according to the higher carrier lifetime observed from photoluminescence (PL) measurement. We have fabricated CH{sub 3}NH{sub 3}Pb(I,Cl){sub 3} solar cell by adding a small amount of Cl source into CH{sub 3}NH{sub 3}PbI{sub 3} precursor. The performance of CH{sub 3}NH{sub 3}Pb(I,Cl){sub 3} solar cell is significantly improved from 15.39% to 18.60%. Results from scanning electron microscopy and X-ray diffraction indicate that the morphologies and crystal structures of CH{sub 3}NH{sub 3}PbI{sub 3} and CH{sub 3}NH{sub 3}Pb(I,Cl){sub 3} thin films remain unchanged. Open circuit voltage decay and admittance spectroscopy characterization jointly approve that Cl plays an extremely important role in suppressing the formation of defects in perovskite solar cells.

  6. Two-stage biofilter for effective NH3 removal from waste gases containing high concentrations of H2S.

    Science.gov (United States)

    Chung, Ying-Chien; Ho, Kuo-Ling; Tseng, Ching-Ping

    2007-03-01

    A high H2S concentration inhibits nitrification when H2S and NH3 are simultaneously treated in a single biofilter. To improve NH3 removal from waste gases containing concentrated H2S, a two-stage biofilter was designed to solve the problem. In this study, the first biofilter, inoculated with Thiobacillus thioparus, was intended mainly to remove H2S and to reduce the effect of H2S concentration on nitrification in the second biofilter, and the second biofilter, inoculated with Nitrosomonas europaea, was to remove NH3. Extensive studies, which took into account the characteristics of gas removal, the engineering properties of the two biofilters, and biological parameters, were conducted in a 210-day operation. The results showed that an average 98% removal efficiency for H2S and a 100% removal efficiency for NH3 (empty bed retention time = 23-180 sec) were achieved after 70 days. The maximum degradation rate for NH3 was measured as 2.35 g N day(-1) kg of dry granular activated carbon(-1). Inhibition of nitrification was not found in the biofilter. This two-stage biofilter also exhibited good adaptability to shock loading and shutdown periods. Analysis of metabolic product and observation of the bacterial community revealed no obvious acidification or alkalinity phenomena. In addition, a lower moisture content (approximately 40%) for microbial survival and low pressure drop (average 24.39 mm H2O m(-1)) for system operation demonstrated that the two-stage biofilter was energy saving and economic. Thus, the two-stage biofilter is a feasible system to enhance NH3 removal in the concentrated coexistence of H2S.

  7. [Mechanism of NH(4+)-N removal in drinking water biofilter].

    Science.gov (United States)

    Liu, Bing; Fan, Hui; Yu, Guo-Zhong; Yu, Xin; Zhao, Cheng-Mei; Li, Qing-Fei; Zhang, Shu-Ting; Wei, Bo

    2012-07-01

    In order to explore the mechanism of NH(4+)-N removal in drinking water biofilter, water quality parameters, such as NH(4+)-N, NO(2-)-N, NO(3-)-N, total phosphorus, permanganate index, nitrogen gas, temperature and dissolved oxygen etc, were determined in the inflow and outflow of biofilter. Samples of granular activated carbon (GAC) at different height (0, 10, 20, 40, 60 cm) of the biofiter media were collected and analyzed for the bacterial community with molecular biology techniques. The bacterial diversity in the activated carbon biofilm sample was studied based on the phylogenetic analysis of sequences. The results showed that there were three stages according to the NH(4+)-N concentration in the influent. The "nitrogen loss" phenomenon (total inorganic nitrogen in the effluent was less than that in the influent) occurred at the first, second and third stages and the amount of nitrogen loss were 0.94, 0.32 and 0.15 mg x L(-1), respectively. The amount of nitrogen loss had a good positive correlation with the NH(4+)-N concentration in the influent, but not a linear relationship with the concentration of the permanganate index in the influent. The average concentrations of N2 increased gradually with the height of media in the biofilter, with values of 14.04 and 14.67 mg x L(-1) in the influent and the effluent, respectively. Based on the sequencing results, the ammonia-oxidizing bacteria (AOB) in the activated carbon biofilm were classified into three common genera: Nitrosococcus, Nitrosomonas and Nitrosospira. When the NH(4+)-N concentration in the influent was relatively high, the "nitrogen loss" phenomenon in biofilter was caused by the AOB.

  8. Enhanced low-temperature NH3-SCR performance of MnOx/CeO2 catalysts by optimal solvent effect

    Science.gov (United States)

    Yao, Xiaojiang; Kong, Tingting; Chen, Li; Ding, Shimin; Yang, Fumo; Dong, Lin

    2017-10-01

    A series of MnOx/CeO2 catalysts were prepared by modulating the solvents (deionized water (DW), anhydrous ethanol (AE), acetic acid (AA), and oxalic acid (OA) solution) with the purpose of improving the low-temperature NH3-SCR performance, broadening the operating temperature window, and enhancing the H2O + SO2 resistance. The synthesized catalysts were characterized by means of N2-physisorption, XRD, EDS mapping, Raman, XPS, H2-TPR, NH3-TPD, and in situ DRIFTS technologies. Furthermore, the catalytic performance and H2O + SO2 resistance were evaluated by NH3-SCR model reaction. The obtained results indicate that MnOx/CeO2 catalyst prepared with oxalic acid solution as a solvent exhibits the best catalytic performance among these catalysts, which shows above 80% NO conversion during a wide operating temperature range of 100-250 °C and good H2O + SO2 resistance for low-temperature NH3-SCR reaction. This is related to that oxalic acid solution can promote the dispersion of MnOx and enhance the electron interaction between MnOx and CeO2, which are beneficial to improving the physicochemical property of MnOx/CeO2 catalyst, and further lead to the enhancement of catalytic performance and good H2O + SO2 resistance.

  9. A Simple Synthetic Methodology for NH4PF6%制备 NH4PF6简易方法研究

    Institute of Scientific and Technical Information of China (English)

    李洪亮; 郭国霖

    1999-01-01

      In this paper, a new simple methodology for preparing NH4PF6 was studied. It has been found that a trace of water can catalyze the reaction between NH4F and PCl5, and the reaction can react without extra heater. The products were separated applying the different solubility of NH4Cl and NH4PF6 in acetone and water. The X-ray diffraction spectra and the FT-IR spectra demonstrated that the NH4PF6 was prepared in this condition, and the separation method is effective. Two mechanism of the water-catalyzed reaction were proposed and explained in detail.

  10. The role of vacancy, impurity, impurity-vacancy complex in the kinetics of LiNH2 complex hydrides:a first-principles study

    Institute of Scientific and Technical Information of China (English)

    Liu Gui-Li; Zhang Guo-Ying; Zhang Hui; Zhu Sheng-Long

    2011-01-01

    This paper studies first-principles plane-wave pseudopotential based on density functional theory of hydrogen vacancy, metal impurity, impurity-vacancy complex in LiNH2, a promising material for hydrogen storage. It finds easy formation of H vacancy in the form of impurity-vacancy complex, and the rate-limiting step to the H diffusion. Based on the analysis of the density of states, it finds that the improvement of the dehydrogenating kinetics of LiNH2 by Ti catalysts and Mg substitution is due to the weak bonding of N-H and the new system metal-like, which makes H atom diffuse easily. The mulliken overlap population analysis shows that H vacancy leads to the H local diffusion, whereas impurity-vacancy complexes result from H nonlocal diffusion, which plays a dominant role in the process of dehydrogenation reaction of LiNH2.

  11. Optimizing the crystallinity and acidity of H-SAPO-34 by fluoride for synthesizing Cu/SAPO-34 NH3-SCR catalyst.

    Science.gov (United States)

    Ma, Jing; Si, Zhichun; Wu, Xiaodong; Weng, Duan; Ma, Yue

    2016-03-01

    A series of H-SAPO-34 zeolites were synthesized by a hydrothermal method in fluoride media. The as-synthesized H-SAPO-34 zeolites were characterized by X-ray diffraction (XRD), scanning electron microscopy (SEM), N2 physisorption, temperature-programmed desorption of NH3 (NH3-TPD) and nuclear magnetic resonance (NMR) measurements. The results showed that a certain concentration of F(-) anions promoted the nucleation and crystallization of H-SAPO-34. The H-SAPO-34 synthesized in the fluoride media showed high crystallinity, uniform particle size distribution, large specific surface area and pore volume, and enhanced acidity. Therefore, Cu/SAPO-34 based on the fluoride-assisted zeolite showed a broadened temperature window for the selective catalytic reduction of NO by NH3 (NH3-SCR) reaction due to the enhanced acidity of the zeolite and the improved dispersion of copper species.

  12. Fe-BEA Zeolite Catalysts for NH3-SCR of NOx

    DEFF Research Database (Denmark)

    Frey, Anne Mette; Mert, Selcuk; Due-Hansen, Johannes

    2009-01-01

    Iron-containing zeolites are known to be promising catalysts for the NH3-SCR reaction. Here, we will investigate the catalytic activity of iron-based BEA catalysts, which was found to exhibit improved activities compared to previously described iron-containing zeolite catalysts, such as ZSM-5...... and ZSM-12. Series of Fe-BEA zeolite catalysts were prepared using a range of different preparation methods. Furthermore, we found that an iron concentration around 3 wt% on BEA showed a small optimum in SCR activity compared to the other iron loadings studied....

  13. Effect of lanthanum hydride on microstructures and hydrogen storage performances of 2LiNH2-MgH2 system

    Institute of Scientific and Technical Information of China (English)

    朱惜林; 韩树民; 赵鑫; 李媛; 刘宝忠

    2014-01-01

    Hydrogen storage properties of 2LiNH2-MgH2 system were improved by adding lanthanum hydride (LaH3), and the role of LaH3 in hydrogen sorption process of Li-Mg-N-H system was investigated. Temperature programmed sorption results showed that the addition of lanthanum hydride reduced the dehydriding/hydriding onset temperature of 2LiNH2-MgH2 system by at least 15 K. Moreover, A 0.053 wt.%/min average rate was determined for the hydrogen desorption of 2LiNH2-MgH2-0.05LaH3 composite, while it was only 0.035 wt.%/min for 2LiNH2-MgH2 system. Hydrogen absorption capacity increased from 1.62 wt.% to 2.12 wt.% within 200 min by adding LaH3 into 2LiNH2-MgH2 system at 383 K. In the dehydrogenation of 2LiNH2-MgH2-0.05LaH3 composite, LaH2 transferred to LaN phase, which reversed to LaH2 in the following hydrogen adsorption process. The reversible reaction of LaH2 ef-fectively promoted the hydrogen sorption of Li-Mg-N-H system. Moreover, the homogenous distribution of fine La hydride was fa-vorable to improving effect of lanthanum hydride.

  14. Efficient hybrid mesoscopic solar cells with morphology-controlled CH3NH3PbI3-xClx derived from two-step spin coating method.

    Science.gov (United States)

    Xu, Yuzhuan; Zhu, Lifeng; Shi, Jiangjian; Lv, Songtao; Xu, Xin; Xiao, Junyan; Dong, Juan; Wu, Huijue; Luo, Yanhong; Li, Dongmei; Meng, Qingbo

    2015-02-04

    A morphology-controlled CH3NH3PbI3-xClx film is synthesized via two-step solution deposition by spin-coating a mixture solution of CH3NH3Cl and CH3NH3I onto the TiO2/PbI2 film for the first time. It is revealed that the existence of CH3NH3Cl is supposed to result in a preferential growth along the [110] direction of perovskite, which can improve both the crystallinity and surface coverage of perovskite and reduce the pinholes. Furthermore, the formation process of CH3NH3PbI3-xClx perovskite is explored, in which intermediates containing chlorine are suggested to exist. 13.12% of power conversion efficiency has been achieved for the mesoscopic cell, higher than 12.08% of power conversion efficiency of the devices fabricated without CH3NH3Cl via the same process. The improvement mainly lies in the increasing open-circuit photovoltage which is ascribed to the reduction of reverse saturation current density.

  15. (NH4)2SO4 heterogeneous nucleation and glycerol evaporation of (NH4)2SO4-glycerol system in its dynamic efflorescence process

    Science.gov (United States)

    Cai, Chen; Luan, Ye-mei; Shi, Xiao-min; Zhang, Yun-hong

    2017-02-01

    Using the FTIR-ATR technique, we investigated the heterogeneous nucleation process of aqueous (NH4)2SO4 binary droplets and (NH4)2SO4/glycerol ternary droplets. From the red shift of δ-NH4+ with a linearly declining relative humidity (RH), the ERHs of pure (NH4)2SO4 droplets and mixed (NH4)2SO4/glycerol droplets with different organic-inorganic ratio (OIR) of 1:4, 1:2 and 1:1 ranges from ∼51.9 to ∼34.9%, ∼49.8 to ∼33.0%, ∼48.0 to ∼30.6% and ∼43.7 to ∼25.2%, respectively. From the changing absorbance of δ-NH4+ band, we determined the heterogeneous nucleation rates of crystalline (NH4)2SO4 in the pure and mixed droplets. The interfacial tension between an (NH4)2SO4 critical nucleus and surrounding (NH4)2SO4 solution was determined using classical nucleation theory and experimental data to be 0.031 ± 0.002 J m-2. Evaporation of glycerol in (NH4)2SO4/glycerol ternary droplets are also studied to be restrained by participation of (NH4)2SO4. Determined vapour pressure of glycerol is on the same magnitude with results from previous studies.

  16. Leaching kinetics of low grade zinc oxide ore in NH3-NH4Cl-H2O system

    Institute of Scientific and Technical Information of China (English)

    WANG Rui-xiang; TANG Mo-tang; YANG Sheng-hai; ZHAGN Wen-hai; TANG Chao-bo; HE Jing; YANG Jian-guang

    2008-01-01

    The leaching kinetics of low grade zinc oxide ore in NH3-NH4Cl-H2O system was studied. The effects of ore particle size,reaction temperature and the sum concentration of ammonium ion and ammonia on the leaching efficiency of zinc were examined.The leaching kinetics of low-grade zinc oxide ore in NH3-NH4Cl-H2O system follows the kinetic law of shrinking-core model. The results show that diffusion through the inert particle pores is the leaching kinetics rate controlling step. The calculated apparent activation energy of the process is about 7.057kJ/mol. The leaching efficiency of zinc is 92.1% under the conditions of ore particle size of 69μm, holding at 80℃ for 60min, sum ammonia concentration of 7.5mol/L, the molar ratio of ammonium to ammonia being 2:1, and the ratio (g/mL) of solid to liquid being 1:10.

  17. Thermodynamic Analysis and Comparison on Low Temperature CO2-NH3 Cascade Refrigeration Cycle

    Institute of Scientific and Technical Information of China (English)

    查世彤; 马一太; 申江; 李敏霞

    2003-01-01

    This paper is focused on the cascade refrigeration cycle using natural refrigerant CO2-NH3. The properties of refrigerants CO2 and NH3 are introduced and analyzed.CO2 has the advantage in low stage of cascade refrigeration cycle due to its good characteristics and properties. The thermodynamic analysis results of the CO2-NH3 cascade refrigeration cycle demonstrates that the cycle has an optimum condensation temperature of low stage and also has an optimum flow rate ratio.By comparing with the R13-R22 and NH3-NH3 cascade refrigeration cycles, the mass flow rate ratio of CO2-NH3 is larger than those of R13-R22 and NH3-NH3, the theoretical COP of CO2-NH3 cascade refrigeration cycle is larger than that of the R13-R22 cascade cycle and smaller than that of the NH3-NH3 cascade cycle. But the real COP of CO2-NH3 cascade cycle will be higher than those of R13-R22 and NH3-NH3 because the specific volume of CO2 at low temperature does not change much and its dynamic viscosity is also small.

  18. Separation of H2S and NH3 gases from tofu waste water-based biogas using activated carbon adsorption

    Science.gov (United States)

    Harihastuti, Nani; Purwanto, P.; Istadi, I.

    2015-12-01

    Research on the separation of H2S and NH3 gases from tofu waste water-based biogas has been conducted to improve the content of CH4 of biogas in order to increase calorific value. Biogas from tofu waste water contained many kinds of gases such as: CH4 of 53-64%, CO2 of 36-45%, H2S of 3,724-5,880 mg/Nm3, NH3 of 0.19-70.36 mg/Nm3, and H2O of 33,800-19,770,000 mg/Nm3. In fact, CO2, H2S, NH3, and moisture are impurities that have disturbance to human and environment, so that they are necessary to be separated from biogas. Particularly, H2S and NH3 have high toxicity to people, particularly the workers in the tofu industry. Therefore, separation of H2S and NH3 from biogas to increase calorific value is the focus of this research. The method used in this research is by adsorption of H2S and NH3 gases using activated carbon as adsorbent. It also used condensation as pretreatment to remove moisture content in biogas. Biogas was flowed to adsorption column (70 cm height and 9 cm diameter containing activated carbon as much as 500 g) so that the H2S and NH3 gases were adsorbed. This research was conducted by varying flow rate and flow time of biogas. From this experiment, it was found that the optimum adsorption conditions were flow rate of 3.5 l/min and 4 hours flow time. This condition could reach 99.95% adsorption efficiency of H2S from 5,879.50 mg/Nm3 to 0.67 mg/Nm3, and 74.96% adsorption efficiency of NH3 from 2.93 mg/Nm3 to 0.73 mg/Nm3. The concentration of CH4 increased from 63.88% to 76.24% in the biogas.

  19. Importance of including ammonium sulfate ((NH42SO4 aerosols for ice cloud parameterization in GCMs

    Directory of Open Access Journals (Sweden)

    R. Yang

    2010-02-01

    Full Text Available A common deficiency of many cloud-physics parameterizations including the NASA's microphysics of clouds with aerosol-cloud interactions (hereafter called McRAS-AC is that they simulate lesser (larger than the observed ice cloud particle number (size. A single column model (SCM of McRAS-AC physics of the GEOS4 Global Circulation Model (GCM together with an adiabatic parcel model (APM for ice-cloud nucleation (IN of aerosols were used to systematically examine the influence of introducing ammonium sulfate (NH42SO4 aerosols in McRAS-AC and its influence on the optical properties of both liquid and ice clouds. First an (NH42SO4 parameterization was included in the APM to assess its effect on clouds vis-à-vis that of the other aerosols. Subsequently, several evaluation tests were conducted over the ARM Southern Great Plain (SGP and thirteen other locations (sorted into pristine and polluted conditions distributed over marine and continental sites with the SCM. The statistics of the simulated cloud climatology were evaluated against the available ground and satellite data. The results showed that inclusion of (NH42SO4 into McRAS-AC of the SCM made a remarkable improvement in the simulated effective radius of ice cloud particulates. However, the corresponding ice-cloud optical thickness increased even more than the observed. This can be caused by lack of horizontal cloud advection not performed in the SCM. Adjusting the other tunable parameters such as precipitation efficiency can mitigate this deficiency. Inclusion of ice cloud particle splintering invoked empirically further reduced simulation biases. Overall, these changes make a substantial improvement in simulated cloud optical properties and cloud distribution particularly over the Intertropical Convergence Zone (ITCZ in the GCM.

  20. The C(3P) + NH3 reaction in interstellar chemistry: II. Low temperature rate constants and modeling of NH, NH2 and NH3 abundances in dense interstellar clouds

    CERN Document Server

    Hickson, Kevin M; Bourgalais, Jérémy; Capron, Michael; Picard, Sebastien D Le; Goulay, Fabien; Wakelam, Valentine

    2016-01-01

    A continuous supersonic flow reactor has been used to measure rate constants for the C + NH3 reaction over the temperature range 50 to 296 K. C atoms were created by the pulsed laser photolysis of CBr4. The kinetics of the title reaction were followed directly by vacuum ultra-violet laser induced fluorescence (VUV LIF) of C loss and through H formation. The experiments show unambiguously that the reaction is rapid at 296 K, becoming faster at lower temperatures, reaching a value of 1.8 10-10 cm3 molecule-1 s-1 at 50 K. As this reaction is not currently included in astrochemical networks, its influence on interstellar nitrogen hydride abundances is tested through a dense cloud model including gas-grain interactions. In particular, the effect of the ortho-to-para ratio of H2 which plays a crucial role in interstellar NH3 synthesis is examined.

  1. NH4+ rather than NO3- production and retention processes are susceptible to enhanced NH4+ deposition in a subtropical plantation

    Science.gov (United States)

    Gao, Wenlong; Kou, Liang; Yang, Hao; Zhang, Jinbo; Muller, Christoph; Li, Shenggong

    2016-04-01

    It remains largely unknown how increasing N depositions may alter soil N cycling and N retention capacity of subtropical/tropical forest ecosystem functions. Here we report results from a 15N tracing study on soil from a subtropical forest plantation in China. Nitrogen fertilizer was applied monthly for more than 2.5 years at a rate of 40 (low) and 120 (high) kg NH4Cl-N hm-2 yr-1, respectively. High NH4+ input significantly retarded gross N mineralization, with a greater inhibition on mineralization of recalcitrant organic N than labile organic N which can possibly be related to a decreased fungal biomass. With increasing NH4+ inputs, rates of NH4+ immobilization into recalcitrant organic-N showed a trend of rise first and then fall. Interestingly, microbial NH4+ cycling moved toward to be a more open N cycling under low NH4+ input conditions, but was driven to be a tightly coupled N cycling under high NH4+ input conditions. On the contrary, microbial NO3- production (heterotrophic nitrification and autotrophic nitrification) and retention (NO3- immobilization and DNRA) processes showed insensitivity to elevated NH4+ input. Our results highlight that in acid subtropical/tropical forest soil, NH4+ rather than NO3- production and retention processes are susceptible to enhanced NH4+ deposition.

  2. NH{sub 4}-doped anodic WO{sub 3} prepared through anodization and subsequent NH{sub 4}OH treatment for water splitting

    Energy Technology Data Exchange (ETDEWEB)

    Choi, Yong-Wook; Kim, Sunkyu; Seong, Mijeong; Yoo, Hyeonseok; Choi, Jinsub, E-mail: jinsub@inha.ac.kr

    2015-01-01

    Highlights: • NN{sub 4}-doped WO{sub 3} was successfully fabricated by a wet-based method using ammonium hydroxide (NH{sub 4}OH). • (NH{sub 4}){sub 10}W{sub 12}O{sub 41} phase was formed during the NH{sub 4}OH treatment. • Over-doped NH{sub 4} in WO{sub 3} led to reduced photo-electrochemical performance for OER. • The optimized surface was achieved by thermal treatment of anodic WO{sub 3} with 2 g of NH{sub 4}OH solution. - Abstract: Tungsten trioxide (WO{sub 3}) prepared by anodization of a W foil was doped with NH{sub 4} through NH{sub 4}OH treatment at 450 °C. Since aqueous NH{sub 4}OH was used during doping instead of NH{sub 3} gas, the treatment step does not require complicated annealing facilities. Moreover, the state of doped N is a form of NH{sub 3}-W instead of W{sub 2}N, which lowers the bandgap but increases photocorrosion. We found that incorporation of NH{sub 4} into WO{sub 3} leads to reduction of the bandgap from 2.9 eV to 2.2 eV, regardless of the amount of NH{sub 4}OH treatment, lowering the onset potential and increasing the current density at fixed potential for oxygen evolution reaction under illumination. Scanning electron microscopy, X-ray diffraction and X-ray photoelectron spectroscopy were employed to investigate the surface morphologies, crystallinities of tungsten oxides and existence of NH{sub 4} doping, respectively. The bandgap energy was determined by UV–Vis spectroscopy to measure the transmittance and refraction. The water splitting performance of each sample was measured by electrochemical linear sweep voltammetry in a 3-electrode configuration under illumination.

  3. Light stability tests of CH3NH3PbI3 perovskite solar cells using porous carbon counter electrodes.

    Science.gov (United States)

    Ito, Seigo; Mizuta, Gai; Kanaya, Shusaku; Kanda, Hiroyuki; Nishina, Tomoya; Nakashima, Seiji; Fujisawa, Hironori; Shimizu, Masaru; Haruyama, Yuichi; Nishino, Hitoshi

    2016-10-21

    The CH3NH3PbI3 perovskite solar cells have been fabricated using three-porous-layered electrodes as, 〈glass/F-doped tin oxide (FTO)/dense TiO2/porous TiO2-perovskite/porous ZrO2-perovskite/porous carbon-perovskite〉 for light stability tests. Without encapsulation in air, the CH3NH3PbI3 perovskite solar cells maintained 80% of photoenergy conversion efficiency from the initial value up to 100 h under light irradiation (AM 1.5, 100 mW cm(-2)). Considering the color variation of the CH3NH3PbI3 perovskite layer, the significant improvement of light stability is due to the moisture-blocking effect of the porous carbon back electrodes. The strong interaction between carbon and CH3NH3PbI3 perovskite was proposed by the measurements of X-ray photoelectron spectroscopy and X-ray diffraction of the porous carbon-perovskite layers.

  4. Post-Cleaning Effect on a HfO2 Gate Stack Using a NF3/NH3 Plasma.

    Science.gov (United States)

    Lee, Min-Seon; Oh, Hoon-Jung; Lee, Joo-Hee; Lee, In-Geun; Shin, Woo-Gon; Kim, Kyu-Dong; Park, Jin-Gu; Ko, Dae-Hong

    2016-05-01

    The effects of dry cleaning of a HfO2 gate stack using NF3 only and a NF3/NH3 gas mixture plasma were investigated. The plasma dry cleaning process was carried out after HfO2 deposition using an indirect down-flow capacitively coupled plasma (CCP) system. An analysis of the chemical composition of the HfO2 gate stacks by XPS indicated that fluorine was incorporated into the HfO2 films during the plasma dry cleaning. Significant changes in the HfO2 chemical composition were observed as a result of the NF3 dry cleaning, while they were not observed in this case of NF3/NH3 dry cleaning. TEM results showed that the interfacial layer (IL) between the HfO2 and Si thickness was increased by the plasma dry cleaning. However, in the case of NF3/NH3 dry cleaning using 150 W, the IL thickness was suppressed significantly compared to the sample that had not been dry cleaned. Its electrical properties were also improved, including the low gate leakage currents, and reduced EOT. Finally, the finding show that the IL thickness of the HfO2 gate stack can be controlled by using the novel NF3/NH3 dry cleaning process technique without any the significant changes in chemical composition and metal-oxide-semiconductor (MOS) capacitor characteristics.

  5. Evaluating ammonia (NH3) predictions in the NOAA National Air Quality Forecast Capability (NAQFC) using in situ aircraft, ground-level, and satellite measurements from the DISCOVER-AQ Colorado campaign

    Science.gov (United States)

    Battye, William H.; Bray, Casey D.; Aneja, Viney P.; Tong, Daniel; Lee, Pius; Tang, Youhua

    2016-09-01

    NAQFC modeling framework did not include a recently developed bidirectional flux algorithm for NH3, which has shown to considerably improve NH3 modeling in agricultural regions. The bidirectional flux algorithm, however, is not expected to obtain the magnitude of this increase sufficient to overcome the underestimation of NH3 found in this study. Our results suggest that further improvement of the emission inventories and modeling approaches are required to reduce the bias in NAQFC NH3 modeling predictions.

  6. H2 assisted NH3-SCR over Ag/Al2O3 for automotive applications

    DEFF Research Database (Denmark)

    Fogel, Sebastian

    The up-coming strict emission legislation demands new and improved catalysts for diesel vehicle deNOx. The demand for low-temperature activity is especially challenging. H2-assisted NH3-SCR over Ag/Al2O3 has shown a very promising low-temperature activity and a combination of Ag/Al2O3 and Fe...... has been the preparation of monolithic catalyst bricks for the catalyst testing. A high SBET and higher Ag loading gave a high sulphur tolerance and activity. It was believed that the high SBET is needed to give a higher NH3 adsorption capacity, necessary for the SCR reaction. A higher Ag loading...... both in a sequential dual-bed layout and a dual-layer layout where the catalysts were coated on top of each other. The Ag/Al2O3 catalyst was also investigated with the aim of improving the sulphur tolerance and low-temperature activity by testing different alumina-supports. A large focus of this study...

  7. A facile, solvent vapor-fumigation-induced, self-repair recrystallization of CH3NH3PbI3 films for high-performance perovskite solar cells.

    Science.gov (United States)

    Zhu, Weidong; Yu, Tao; Li, Faming; Bao, Chunxiong; Gao, Hao; Yi, Yong; Yang, Jie; Fu, Gao; Zhou, Xiaoxin; Zou, Zhigang

    2015-03-12

    A high-quality CH3NH3PbI3 film is crucial in the manufacture of a high-performance perovskite solar cell. Here, a recrystallization process via facile fumigation with DMF vapor has been successfully introduced to self-repair of CH3NH3PbI3 films with poor coverage and low crystallinity prepared by the commonly used one-step spin-coating method. We found that the CH3NH3PbI3 films with dendritic structures can spontaneously transform to the uniform ones with full coverage and high crystallinity by adjusting the cycles of the recrystallization process. The mesostructured perovskite solar cells based on these repaired CH3NH3PbI3 films showed reproducible optimal power conversion efficiency (PCE) of 11.15% and average PCE of 10.25±0.90%, which are much better than that of devices based on the non-repaired CH3NH3PbI3 films. In addition, the hysteresis phenomenon in the current-voltage test can also be effectively alleviated due to the quality of the films being improved in the optimized devices. Our work proved that the fumigation of solvent vapor can modify metal organic perovskite films such as CH3NH3PbI3. It offers a novel and attractive way to fabricate high-performance perovskite solar cells.

  8. Effects of mechanical milling on desorption kinetics and phase transformation of LiNH{sub 2}/MgH{sub 2} mixture

    Energy Technology Data Exchange (ETDEWEB)

    Shahi, Rohit R.; Yadav, T.P.; Shaz, M.A.; Srivastava, O.N. [Department of Physics, Banaras Hindu University, VNS 221005 (India)

    2008-11-15

    We have investigated the ball-milling (5-45 h) followed by dehydrogenation kinetics of LiNH{sub 2}-MgH{sub 2} mixture. A new result of ball-milling reveals the formation of Mg(NH{sub 2}){sub 2} for mixtures ball-milled for more than 15 h. The desorption kinetics has been found to improve appreciably by increasing the duration of milling from 5 to 45 h. This enhancement is attributed to formation of Mg(NH{sub 2}){sub 2} during this process. It was found that the Mg(NH{sub 2}){sub 2} form through the reaction 2LiNH{sub 2} + MgH{sub 2} {yields} Mg(NH{sub 2}){sub 2} + 2LiH. The phase and microstructural characterizations have been done through X-ray diffraction, IR-spectrometry, transmission and scanning electron microscopy. Correlation between particle size and hydrogenation behavior has also been investigated. (author)

  9. Study of vibrational spectra of NH sub 4 Cl and NH sub 4 Br at high pressure

    CERN Document Server

    Glazkov, V P; Syrykh, G F; Kozlenko, D P; Savenko, B N; Telepnev, A S

    2002-01-01

    The NH sub 4 Cl vibrational spectra at the pressures up to 2.6 GPa and the NH sub 4 Br spectra at the pressures up to 7 GPa are studied through the method of the neutrons inelastic incoherent scattering. It is established that the linear baric dependence of the libration mode changes its inclination in the area above the pressure of transition from the disordered cubic phase to the ordered cubic phase with the CsCl-type structure. The baric dependence inclination of the cross-sectional optical translation mode remains unchanged. The evaluations of the Grueneisen parameters are presented in the one-dimensional approximation and the form of the potential function for the libration oscillations in the disordered and ordered cubic phases with the CsCl-type structure is calculated. It is shown that the observed effects are related to the high anharmonism of the potential in the disordered phase

  10. Modulated CH3NH3PbI3−xBrx film for efficient perovskite solar cells exceeding 18%

    Science.gov (United States)

    Tu, Yongguang; Wu, Jihuai; Lan, Zhang; He, Xin; Dong, Jia; Jia, Jinbiao; Guo, Panfeng; Lin, Jianming; Huang, Miaoliang; Huang, Yunfang

    2017-01-01

    The organic-inorganic lead halide perovskite layer is a crucial factor for the high performance perovskite solar cell (PSC). We introduce CH3NH3Br in the precursor solution to prepare CH3NH3PbI3−xBrx hybrid perovskite, and an uniform perovskite layer with improved crystallinity and apparent grain contour is obtained, resulting in the significant improvement of photovoltaic performance of PSCs. The effects of CH3NH3Br on the perovskite morphology, crystallinity, absorption property, charge carrier dynamics and device characteristics are discussed, and the improvement of open circuit voltage of the device depended on Br doping is confirmed. Based on above, the device based on CH3NH3PbI2.86Br0.14 exhibits a champion power conversion efficiency (PCE) of 18.02%. This study represents an efficient method for high-performance perovskite solar cell by modulating CH3NH3PbI3−xBrx film. PMID:28303938

  11. Complete Series of Alkali-Metal M(BH3NH2BH2NH2BH3) Hydrogen-Storage Salts Accessed via Metathesis in Organic Solvents.

    Science.gov (United States)

    Owarzany, Rafał; Fijalkowski, Karol J; Jaroń, Tomasz; Leszczyński, Piotr J; Dobrzycki, Łukasz; Cyrański, Michał K; Grochala, Wojciech

    2016-01-04

    We report a new efficient way of synthesizing high-purity hydrogen-rich M(BH3NH2BH2NH2BH3) salts (M = Li, Na, K, Rb, Cs). The solvent-mediated metathetic synthesis applied here uses precursors containing bulky organic cations and weakly coordinating anions. The applicability of this method permits the entire series of alkali-metal M(BH3NH2BH2NH2BH3) salts (M = Li, Na, K, Rb, Cs) to be obtained, thus enabling their comparative analysis in terms of crystal structures and hydrogen-storage properties. A novel polymorphic form of Verkade's base (C18H39N4PH)(BH3NH2BH2NH2BH3) precursor was also characterized structurally. For all compounds, we present a comprehensive structural, spectroscopic, and thermogravimetric characterization (PXRD, NMR, FTIR, Raman, and TGA/DSC/MS).

  12. Nitrogen and carbon pools in an agricultural soil amended with natural and NH4-enriched K-Chabazite zeolitite

    Science.gov (United States)

    Ferretti, Giacomo; Faccini, Barbara; Vittori Antisari, Livia; Di Giuseppe, Dario; Massimo, Coltorti

    2015-04-01

    Nitrogen and Carbon pools in a reclaimed agricultural soil amended with 5 to 15 Kg m-2 of natural and NH4-enriched (K-Chabazite) zeolitites have been investigated. Zeolitites were enriched by means of static exchange with a swine slurry in a prototype (ZeoLIFE Project, www.zeolife.it). The experimental field is located in the Po Delta plain near Codigoro (Ferrara, Italy), it extends over an area of about 6 ha and it was divided in six parcels. The field has been heavily fertilized with chemical fertilizers and livestock sewage since 1960. Nowadays the area is part of the Nitrate Vulnerable Zones (Nitrate Directive 91/676/CEE) and a maximum annual input of 170 Kg-N ha-1 must be respected. With respect to the control parcels, at the end of the agronomic year, sorghum yield was 4% and 14% higher in the parcels treated with natural zeolitite and in that treated with NH4-enriched zeolitite, respectively. This notwithstanding the N fertilizers reduction from 30% in the former to 50% in the latter. Beside the yield improvement, N and C pools are affected by the use of zeolitite and relevant changes have been noticed. i) δ15N ratios in both soil (total and fixed N-NH4 inside the clay interlayer and zeolite exchange sites) and different organs of the sorghum crops show that the N-NH4 stocked in the enriched zeolitite has been transferred to the crops and preferentially stocked in the leaves with respect to the N-NH4 provided by chemical fertilizer. ii) The active role of fixed N-NH4 pool in mineral nutrition of the crops and its replacement can be due to inorganic N fertilizers (Urea and Diammonium Phosphate). This pool in fact decreased during the crops growth, suggesting that it represented an important contribution to the active N pool in the soil. iii) Due to the high N content in this agricultural field, no significant total N decrease was observed during the growing season, which is also responsible for the low C/N ratio in the soil. After the N input from NH4

  13. Revealing the role of organic cations in hybrid halide perovskite CH3NH3PbI3

    OpenAIRE

    Sanvito, Stefano; Motta, Carlo

    2015-01-01

    The hybrid halide perovskite CH$_{3}$NH$_{3}$PbI$_{3}$ has enabled solar cells to reach an efficiency of about 18\\%, demonstrating a pace for improvements with no precedents in the solar energy arena. Despite such explosive progress, the microscopic origin behind the success of such material is still debated, with the role played by the organic cations in the light-harvesting process remaining unclear. Here van-der-Waals-corrected density functional theory calculations reveal that the orienta...

  14. Thermodynamics and technology of extracting gold from low-grade gold ore in system of NH4Cl-NH3-H2O

    Institute of Scientific and Technical Information of China (English)

    2006-01-01

    According to the principles of simultaneous chemical equilibrium and electronic charge neutrality, the thermodynamics of Au-NH4Cl-NH3-H2O system was studied by using the exponential computation method and through MATLAB programming, and the solid figure of potential-c(NH4Cl)-c(NH4OH) was drawn. The results show that when the sum concentration of Au+ and Au3+ is equal to5 × 10-5 mol/L, ψ(Au+/Au) is about -0.2 V; when the sum comes up to 0.5 mol/L, the value of ψ(Au+/Au) increases to 0.2 V. In this case, ψ(O2/OH-) is as high as 0.7 V. This means that it is feasible to extract gold in this system. In addition, to predict the feasibility of reducing gold from the Au(Ⅰ)-NH4Cl-NH3-H2O system with copper or zinc powder, the solid figures of potential-c(NH4Cl)-c(NH4OH)for both systems of Cu-NH4Cl-NH3-H2O and Zn-NH4Cl-NH3-H2O were also drawn. The results indicate that both copper and zinc powders can reduce Au+ into metal gold, and zinc powder can also reduce H2O into H2, while copper powder can not. The leaching results of a cuprous gold ore show that the extraction of gold can reach 80% in this system. The preliminary results of reduction with copper and zinc powders show that with deoxygenizing, the reduction effects are relatively good.

  15. Parallel Changes in Intracellular Water Volume and pH Induced by NH3/NH4+ Exposure in Single Neuroblastoma Cells

    Directory of Open Access Journals (Sweden)

    Víctor M. Blanco

    2013-12-01

    Full Text Available Background: Increased blood levels of ammonia (NH3 and ammonium (NH4+, i.e. hyperammonemia, leads to cellular brain edema in humans with acute liver failure. The pathophysiology of this edema is poorly understood. This is partly due to incomplete understanding of the osmotic effects of the pair NH3/NH4+ at the cellular and molecular levels. Cell exposure to solutions containing NH3/NH4+ elicits changes in intracellular pH (pHi, which can in turn affect cell water volume (CWV by activating transport mechanisms that produce net gain or loss of solutes and water. The occurrence of CWV changes caused by NH3/NH4+ has long been suspected, but the mechanisms, magnitude and kinetics of these changes remain unknown. Methods: Using fluorescence imaging microscopy we measured, in real time, parallel changes in pHi and CWV caused by brief exposure to NH3/NH4+ of single cells (N1E-115 neuroblastoma or NG-108 neuroblastoma X glioma loaded with the fluorescent indicator BCECF. Changes in CWV were measured by exciting BCECF at its intracellular isosbestic wavelength (∼438 nm, and pHi was measured ratiometrically. Results: Brief exposure to isosmotic solutions (i.e. having the same osmolality as that of control solutions containing NH4Cl (0.5- 30 mM resulted in a rapid, dose-dependent swelling, followed by isosmotic regulatory volume decrease (iRVD. NH4Cl solutions in which either extracellular [NH3] or [NH4+] was kept constant while the other was changed by varying the pH of the solution, demonstrated that [NH3]o rather than [NH4+]o is the main determinant of the NH4Cl-induced swelling. The iRVD response was sensitive to the anion channel blocker NPPB, and partly dependent on external Ca2+. Upon removal of NH4Cl, cells shrank and displayed isosmotic regulatory volume increase (iRVI. Regulatory volume responses could not be activated by comparable CWV changes produced by anisosmotic solutions, suggesting that membrane stretch or contraction by themselves are

  16. Investigation of Structural and Electronic Properties of CH3NH3PbI3 Stabilized by Varying Concentrations of Poly(Methyl Methacrylate (PMMA

    Directory of Open Access Journals (Sweden)

    Celline Awino

    2017-08-01

    Full Text Available Studies have shown that perovskites have a high potential of outdoing silicon based solar cells in terms of solar energy conversion, but their rate of degradation is also high. This study reports on improvement on the stability of CH3NH3PbI3 by passivating it with polymethylmethacrylate (PMMA. Structural and electronic properties of CH3NH3PbI3 stabilized by polymethylmethacrylate (PMMA were investigated by varying concentrations of PMMA in the polymer solutions. Stability tests were performed over a period of time using modulated surface photovoltage (SPV spectroscopy, X-ray diffraction (XRD, and photoluminescence (PL measurements. The XRD patterns confirm the tetragonal structure of the deposited CH3NH3PbI3 for every concentration of PMMA. Furthermore, CH3NH3PbI3 coated with 40 mg/mL of PMMA did not show any impurity phase even after storage in air for 43 days. The Tauc gap (ETauc determined on the basis of the in-phase SPV spectra was found in the range from 1.585 to 1.62 eV for the samples stored during initial days, but shifted towards lower energies as the storage time increased. This can be proposed to be due to different chemical reactions between CH3NH3PbI3/PMMA interfaces and air. PL intensity increased with increasing concentration of PMMA except for the perovskite coated with 40 mg/mL of PMMA. PL quenching in the perovskite coated with 40 mg/mL of PMMA can be interpreted as fast electron transfer towards the substrate in the sample. This study shows that, with an optimum concentration of PMMA coating on CH3NH3PbI3, the lifetime and hence stability on electrical and structural behavior of CH3NH3PbI3 is improved.

  17. KF掺杂量对MgH2-2LiNH2体系储氢性能影响的研究%Effects of Doping Content of Potassium Fluoride on Hydrogen Storage Properties of MgH2-2LiNH2

    Institute of Scientific and Technical Information of China (English)

    付卫国; 刘晓鹏; 叶建华; 闫敏艳; 王树茂; 蒋利军

    2013-01-01

    MgH2-2LiNH2-xKF (x =0,0.015,0.025,0.050,0.100) samples were prepared by high energy ball milling.The phases and hydrogen desorption characteristics of the samples were analyzed by using X-ray diffraction(XRD),differential scanning calorimetry-mass spectrometry (DSC-MS) and Sievert's type apparatus.The experimental results showed that the transformation from(MgH2-2LiNH2) to (Mg(NH2)2-2LiH) was improved efficiently by KF dopant after ball-milling,the diffraction peaks of KH were observed after dehydrogenation for the KF doped sample.The onset dehydrogenation temperature and activation energy of KF doped MgH2-2LiNH2 samples were greatly decreased,and the level of NH3 desorbed during the hydrogen desorption process was also effectively decreased.The optimal doping content of the KF dopant for the MgH2-2LiNH2 system was 0.05 mol.%采用高能球磨制备了不同摩尔量KF掺杂的MgH2-2LiNH2-xKF(x=0,0.015,0.025,0.050,0.100)储氢材料,采用XRD,DSC-MS和Sieverts方法研究了材料物相与储氢性能.结果表明,KF的掺杂促进了球磨过程中MgH2-2LiNH2向Mg(NH2)2-2LiH的转变,KF掺杂的样品放氢后出现KH的衍射峰.KF的掺杂显著提高了MgH2-2LiNH2材料放氢动力学性能,降低了放氢反应起始温度和激活能,且放氢过程有效抑制了NH3的释放,其中0.05 mol KF掺杂MgH2-2LiNH2体系放氢性能最优.

  18. C-NH2 bond formation mediated by iridium complexes

    OpenAIRE

    Mena, Inmaculada; Casado, Miguel A.; Polo, Víctor; García-Orduña, P.; Lahoz, Fernando J.; Oro, Luis A.

    2014-01-01

    In the presence of phosphanes (PR3), the amido-bridged trinuclear complex [{Ir(μ-NH2)(tfbb)}3] (tfbb=tetrafluorobenzobarrelene) transforms into mononuclear discrete compounds [Ir(1,2-η2-4-κ-C12H8F 4N)(PR3)3], which are the products of the C-N coupling between the amido moiety and a vinylic carbon of the diolefin. An alternative synthetic approach to these species involves the reaction of the 18-e- complex [Ir(Cl)(tfbb)(PMePh2)2] with gaseous ammonia and additional phosphane. DFT studies show ...

  19. Cs5Sn9(OH·4NH3

    Directory of Open Access Journals (Sweden)

    Ute Friedrich

    2014-06-01

    Full Text Available The title compound, pentacaesium nonastannide hydroxide tetraammonia, crystallized from a solution of CsSnBi in liquid ammonia. The Sn94− unit forms a monocapped quadratic antiprism. The hydroxide ion is surrounded by five caesium cations, which form a distorted quadratic pyramidal polyhedron. A three-dimensional network is formed by Cs—Sn [3.8881 (7 Å to 4.5284 (7 Å] and Cs—NH3 [3.276 (7–3.636 (7 Å] contacts.

  20. Charge-assisted bond N(+)H mediates the gelation of amorphous lurasidone hydrochloride during dissolution.

    Science.gov (United States)

    Qian, Shuai; Wang, Shanshan; Li, Zhen; Wang, Xiaojie; Ma, Di; Liang, Shujun; Gao, Yuan; Zhang, Jianjun; Wei, Yuanfeng

    2017-02-25

    Lurasidone hydrochloride (LH), the hydrochloride form of lurasidone with a charge-assisted bond N(+)H, is an atypical antipsychotropic agent for the treatment of schizophrenia. As a BCS class II drug, LH has a low oral bioavailability mainly due to its poor water solubility and low dissolution. In order to improve its solubility, amorphization of LH was performed and characterized. Unexpectedly, the dissolution rate of amorphous LH was much lower than that of crystalline LH. In addition, the amorphous LH powders quickly aggregated when contacting the dissolution media (water, 37°C), and formed a sticky gel adhering on the paddle. The follow-up polarized light microscope, XRPD, DSC, and FTIR analysis found that amorphous LH transformed to crystalline LH during dissolution. On the other hand, no such gelation phenomenon of amorphous lurasidone was observed under the same dissolution condition. However, the gel would reform when dropping concentrated hydrochloric acid slowly into the bottom of the medium during the dissolution of amorphous lurasidone, and XRPD/DSC/FTIR results indicated that the regenerated gel was consisted of crystalline LH, suggesting that the charge-assisted bond N(+)H in the structure of LH mediated the gel formation of amorphous LH during its dissolution process.

  1. 住友CLC模块在线优化合成13N-NH3· H2O的研究%Online optimized synthesis of 13N-NH3· H2O by Sumitomo CLC module

    Institute of Scientific and Technical Information of China (English)

    鄢敏; 秦志星; 程鹏亮; 郝新忠; 刘建中; 李思进; 武志芳

    2014-01-01

    Objective To achieve some better 13N-NH3· H2O imaging by confirming the relevant parameters of Sumitomo HM-10 cyclotron and optimizing Sumitomo CLC module· Methods Sumitomo HM-10 cyclotron beam size,bombed target time and ethanol content for removing of the radicals were optimized to improve the efficiency of chemical reactions.Using cation exchange column (CM column) to absorb the target water and optimizing the purification process to make high purity 13N-NH3· H2O.Multiple absorbed purification were finished by only one CM column (about 3 times).Results After 10 mmol/Lethanol was bombarded by 30 μA beam for 11 min,27 batches of 13N-NH3· H2O were synthesized,with a yield abou 925 MBq and the radiochemical purity and chemical purity both over 99%.The myocardial perfusion imaging showed a good result when the big dog was injected by 13N-NH3· H2O.Conclusions After optimizing cyclotron reaction conditions and micro-step improving Sumitomo CLC purification module,stable yield and better imaging of 13N-NH3· H2O was obtained,which can meet the experimental or clinical requirements.%目的 确定住友HM-10回旋加速器相关参数,小步优化住友CLC模块,合成显像良好的13N-NH3· H2O.方法 优化住友HM-10回旋加速器的束流大小、轰靶时间和靶水中乙醇去自由基含量,提高化学反应效率.用阳离子交换柱(CM柱)吸附靶水和小步优化纯化流程得到高化学纯度的13N-NH3·H2O,并实现一根CM柱上多次吸附纯化(3次左右).结果 用30 μA束流轰击10 mmol/L乙醇11 min,合成13N-NH3·H2O 27批次,产量为925 MBq左右,放化纯度和化学纯度均大于99%,注射大狗后心肌灌注显像良好.结论 经过回旋加速器锂靶反应条件的优化和住友CLC纯化模块的小步改进能得到产量稳定、显像良好的13N-NH3· H2O,能够满足实验及临床要求.

  2. Increasing Hydrogen Density with the Cation-Anion Pair BH4−-NH4+ in Perovskite-Type NH4Ca(BH43

    Directory of Open Access Journals (Sweden)

    Pascal Schouwink

    2015-08-01

    Full Text Available A novel metal borohydride ammonia-borane complex Ca(BH42·NH3BH3 is characterized as the decomposition product of the recently reported perovskite-type metal borohydride NH4Ca(BH43, suggesting that ammonium-based metal borohydrides release hydrogen gas via ammonia-borane-complexes. For the first time the concept of proton-hydride interactions to promote hydrogen release is applied to a cation-anion pair in a complex metal hydride. NH4Ca(BH43 is prepared mechanochemically from Ca(BH42 and NH4Cl as well as NH4BH4 following two different protocols, where the synthesis procedures are modified in the latter to solvent-based ball-milling using diethyl ether to maximize the phase yield in chlorine-free samples. During decomposition of NH4Ca(BH43 pure H2 is released, prior to the decomposition of the complex to its constituents. As opposed to a previously reported adduct between Ca(BH42 and NH3BH3, the present complex is described as NH3BH3-stuffed α-Ca(BH42.

  3. C-NH2 bond formation mediated by iridium complexes.

    Science.gov (United States)

    Mena, Inmaculada; Casado, Miguel A; Polo, Víctor; García-Orduña, Pilar; Lahoz, Fernando J; Oro, Luis A

    2014-09-01

    In the presence of phosphanes (PR3 ), the amido-bridged trinuclear complex [{Ir(μ-NH2 )(tfbb)}3 ] (tfbb=tetrafluorobenzobarrelene) transforms into mononuclear discrete compounds [Ir(1,2-η(2) -4-κ-C12 H8 F4 N)(PR3 )3 ], which are the products of the CN coupling between the amido moiety and a vinylic carbon of the diolefin. An alternative synthetic approach to these species involves the reaction of the 18 e(-) complex [Ir(Cl)(tfbb)(PMePh2 )2 ] with gaseous ammonia and additional phosphane. DFT studies show that both transformations occur through nucleophilic attack. In the first case the amido moiety attacks a diolefin coordinated to a neighboring molecule following a bimolecular mechanism induced by the highly basic NH2 moiety; the second pathway involves a direct nucleophilic attack of ammonia to a coordinated tfbb molecule. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  4. THE C({sup 3}P) + NH{sub 3} REACTION IN INTERSTELLAR CHEMISTRY. II. LOW TEMPERATURE RATE CONSTANTS AND MODELING OF NH, NH{sub 2}, AND NH{sub 3} ABUNDANCES IN DENSE INTERSTELLAR CLOUDS

    Energy Technology Data Exchange (ETDEWEB)

    Hickson, Kevin M.; Loison, Jean-Christophe [Université de Bordeaux, Institut des Sciences Moléculaires, UMR 5255, F-33400 Talence (France); Bourgalais, Jérémy; Capron, Michael; Picard, Sébastien D. Le [Institut de Physique de Rennes, Astrophysique de Laboratoire, UMR CNRS 6251, Université de Rennes 1, Campus de Beaulieu, F-35042 Rennes Cedex (France); Goulay, Fabien [Department of Chemistry, West Virginia University, Morgantown, WV 26506 (United States); Wakelam, Valentine, E-mail: kevin.hickson@u-bordeaux.fr [Université de Bordeaux, Laboratoire d’Astrophysique de Bordeaux, UMR 5804, F-33270 Floirac (France)

    2015-10-20

    A continuous supersonic flow reactor has been used to measure rate constants for the C({sup 3}P) + NH{sub 3} reaction over the temperature range 50–296 K. C({sup 3}P) atoms were created by the pulsed laser photolysis of CBr{sub 4}. The kinetics of the title reaction were followed directly by vacuum ultra-violet laser induced fluorescence of C({sup 3}P) loss and through H({sup 2}S) formation. The experiments show unambiguously that the reaction is rapid at 296 K, becoming faster at lower temperatures, reaching a value of (1.8 ± 0.2) × 10{sup −10} cm{sup 3} molecule{sup −1} s{sup −1} at 50 K. As this reaction is not currently included in astrochemical networks, its influence on interstellar nitrogen hydride abundances is tested through a dense cloud model including gas–grain interactions. In particular, the effect of the ortho-to-para ratio of H{sub 2}, which plays a crucial role in interstellar NH{sub 3} synthesis, is examined.

  5. The interaction of NH 3 with ordered Pt surfaces

    Science.gov (United States)

    Baetzold, R. C.; Apai, G.; Shustorovich, E.

    1984-11-01

    The interaction of ammonia with ordered Pt surface was studies by means of surface core-level photoemission and tight-binding-type calculations. Clean Pt surfaces have distinguishable surface and bulk components of the 4f 7/2 core level. The 4f 7/2 surface component is shifted to lower binding energy (-0.32 eV) than the bulk on the clean (111) surface, but in the presence of ammonia the surface peak is shifted to positive binding energy (0.7 eV). This result is unexpected, since it indicates a depletion of d-electron density on Pt atoms attached to NH 3, in contrast to common assumptions of NH 3 as a net donor. Thin-film calculations show this depletion in the form of rehybridization of sp with d electrons on the Pt atom. The mixing of p z orbitals with the d band leads to a dipole moment perpendicular to the surface, which in addition to the static dipole of ammonia is also a major factor in the decrease in work function upon chemisorption.

  6. Is CH3NH3PbI3 Polar?

    Science.gov (United States)

    G, Sharada; Mahale, Pratibha; Kore, Bhushan P; Mukherjee, Somdutta; Pavan, Mysore S; De, Chandan; Ghara, Somnath; Sundaresan, A; Pandey, Anshu; Guru Row, Tayur N; Sarma, D D

    2016-07-01

    In view of the continued controversy concerning the polar/nonpolar nature of the hybrid perovskite system, CH3NH3PbI3, we report the first investigation of a time-resolved pump-probe measurement of the second harmonic generation efficiency as well as using its more traditional form as a sensitive probe of the absence/presence of the center of inversion in the system both in its excited and ground states, respectively. Our results clearly show that SHG efficiency, if nonzero, is below the limit of detection, strongly indicative of a nonpolar or centrosymmetric structure. Our results on the same samples, based on temperature dependent single crystal X-ray diffraction and P-E loop measurements, are entirely consistent with the above conclusion of a centrosymmetric structure for this compound in all three phases, namely the high temperature cubic phase, the intermediate temperature tetragonal phase and the low temperature orthorhombic phase. It is important to note that all our experimental probes are volume averaging and performed on bulk materials, suggesting that basic material properties of CH3NH3PbI3 are consistent with a centrosymmetric, nonpolar structure.

  7. CH3NH3PbCl3 Single Crystals: Inverse Temperature Crystallization and Visible-Blind UV-Photodetector

    KAUST Repository

    Maculan, Giacomo

    2015-09-02

    Single crystals of hybrid perovskites have shown remarkably improved physical properties compared to their polycrystalline film counterparts, underscoring their importance in the further development of advanced semiconductor devices. Here we present a new method of sizeable CH3NH3PbCl3 single crystal growth based on retrograde solubility behavior of hybrid perovskites. We show, for the first time, the energy band structure, charge-carrier recombination and transport properties of single crystal CH3NH3PbCl3. The chloride-based perovskite crystals exhibit trap-state density, charge carriers concentration, mobility and diffusion length comparable with the best quality crystals of methylammonium lead iodide or bromide perovskites reported so far. The high quality of the crystal along with its suitable optical bandgap enabled us to design and build an efficient visible-blind UV-photodetector, demonstrating the potential of this material to be employed in optoelectronic applications.

  8. [Effects of compound fertilizer of (NH2)2CO and KH2PO4 on the chestnut photosynthesis characteristics, growth and fruiting].

    Science.gov (United States)

    Tian, Shou-le; Sun, Xiao-li; Shen, Guang-ning; Xu, Lin

    2015-03-01

    Compound fertilizer can improve the fertilizer use efficiency and tree nutrition status to ensure balanced fertilization. Taking 7 year-old chestnut trees as test material, with (NH2)2CO and KH2PO4 being mixed at the different ratios, the effects of different compound fertilizers on the photosynthesis characteristics as well as the growth and fruiting of chestnut were studied quantitatively by trunk injection method. Results showed that compound fertilizer of (NH2)2CO and KH2PO4 induced positive synergistic effects to enhance photosynthetic capacity, yield and quality of chestnut obviously. The content of chlorophyll was decreased by (NH2)2CO and increased by KH2PO4, but increased obviously by the compound fertilizer. The contents of N, P, K of leaf and branch rose under the four compounded fertilization treatments, among which 0.3%(NH2)2CO+0.3%KH2PO4 was the best. All fertilizer treatments could advance the photosynthetic parameters, while the compound fertilizer performed better. 0.3% (NH2)2CO + 0.3% KH2PO4 treatment significantly increased the photosynthetic rate, the maximum net photosynthesis, apparent quantum yield, carboxylation efficiency, instantaneous water use efficiency and nitrogen use efficiency. Compound fertilizer could promote the growth of branch in diameter and length synchronously, and increase the number of mixed buds, while (NH2)2CO only promoted the growth of branch in length, and did little in the number of mixed buds. The compound fertilizer did better in advancing nuts yield and quality than single fertilization of N or P. The nuts yield, mass and total sugar were increased by 68.2%, 25.5% and 14.9% respectively under 0.3% (NH2)2CO+0.3%KH2PO4 treatment compared with the control.

  9. Device simulation of lead-free CH3NH3SnI3 perovskite solar cells with high efficiency

    Science.gov (United States)

    Du, Hui-Jing; Wang, Wei-Chao; Zhu, Jian-Zhuo

    2016-10-01

    The lead-free perovskite solar cells (PSCs) have drawn a great deal of research interest due to the Pb toxicity of the lead halide perovskite. CH3NH3SnI3 is a viable alternative to CH3NH3PbX3, because it has a narrower band gap of 1.3 eV and a wider visible absorption spectrum than the lead halide perovskite. The progress of fabricating tin iodide PSCs with good stability has stimulated the studies of these CH3NH3SnI3 based cells greatly. In the paper, we study the influences of various parameters on the solar cell performance through theoretical analysis and device simulation. It is found in the simulation that the solar cell performance can be improved to some extent by adjusting the doping concentration of the perovskite absorption layer and the electron affinity of the buffer and HTM, while the reduction of the defect density of the perovskite absorption layer significantly improves the cell performance. By further optimizing the parameters of the doping concentration (1.3× 1016 cm-3) and the defect density (1× 1015 cm-3) of perovskite absorption layer, and the electron affinity of buffer (4.0 eV) and HTM (2.6 eV), we finally obtain some encouraging results of the J sc of 31.59 mA/cm2, V oc of 0.92 V, FF of 79.99%, and PCE of 23.36%. The results show that the lead-free CH3NH3SnI3 PSC is a potential environmentally friendly solar cell with high efficiency. Improving the Sn2 + stability and reducing the defect density of CH3NH3SnI3 are key issues for the future research, which can be solved by improving the fabrication and encapsulation process of the cell. Project supported by the Graduate Student Education Teaching Reform Project, China (Grant No. JG201512) and the Young Teachers Research Project of Yanshan University, China (Grant No. 13LGB028).

  10. Preparation of a Fiber Modifier HBP-NH2 and Its Application in Salt-free Dyeing of Silk Fabric with Reactive Dyes%纤维改性剂HBP-NH2的制备及在真丝织物活性染料无盐染色中的应用

    Institute of Scientific and Technical Information of China (English)

    蒋小云; 王成龙; 吴靖; 余志成

    2012-01-01

    In this study, hyperbranched poly amide-amine (HBP-NH2) polymers with different terminal groups were prepared to modify silk fiber for improving the dye uptake and color fastness of silk fabric dyed with salt-free reactive dye. Diethylenetriamine and methylacrylate were used as material to prepare HBP-NH2(0) ~HBP-NH2(6) which had different amino end groups by changing reaction time (0 ~6 h) of the monomer. The results of Fourier transform infrared spectro-scopic analysis and amino content determination showed that there are a lot of alkaline groups including amino and imino groups in HBP-NH2. Thermogravimetric analysis indicated that HBP-NH2 had good thermal stability. The prepared 7 kinds of HBP-NH2 were used for fiber modification of silk fabric respectively, and the modified silk fabric was then dyed with salt-free reactive dye. The results showed that the modified silk fabric had good dyeing property and the silk fabric modified by HBP-NH2(5) had higher K/S value and color fastness. Salt-free dyeing of silk fabric with reactive dye could be realized by using HBP-NH2 as fiber modifier.%制备不同端氨基超支化聚合物( HBP-NH2)用于真丝纤维改性,提高真丝织物用活性染料进行无盐染色的上染率和染色牢度.以二乙烯三胺与丙烯酸甲酯为原料,改变合成单体的反应时间(0~6 h),制备出不同的端氨基超支化聚合物HBP-NH2 (0)~HBP-NH2 (6).通过红外光谱和氨基含量测试证明HBP-NH2中含有大量的氨基和亚氨基等碱性基团,热重分析显示HBP-NH2具有较好的热稳定性.将制备的7种HBP-NH2分别用于真丝织物的改性,改性后的真丝织物在以活性染料进行的无盐染色试验中,表现出较好的染色性能,其中以HBP-NH2(5)改性后的真丝织物具有较高的染色K/S值和较好的色牢度.将HBP-NH2作为真丝纤维改性剂,可以实现用活性染料对真丝织物进行无盐染色的、目标.

  11. The mechanism of ammonium bisulfate formation and decomposition over V/WTi catalysts for NH3-selective catalytic reduction at various temperatures.

    Science.gov (United States)

    Li, Chenxu; Shen, Meiqing; Yu, Tie; Wang, Jianqiang; Wang, Jun; Zhai, Yanping

    2017-06-14

    In this study, the mechanism of ammonium bisulfate (ABS) formation and decomposition over V/WTi for the NH3-selective catalytic reduction (SCR) at various temperatures was deeply investigated. Bridged bidentate, chelating bidentate, and tridentate sulfates bound to TiO2 were formed as dominant intermediates at 200, 250, and 300 °C, respectively. These sulfates reacted with affinitive ammonium species to form ammonium (bi)sulfate species and also covered the active sites and embedded the VOSO4 intermediates, which resulted in an inferior intrinsic NH3-SCR conversion rate at 200 °C and 250 °C. At 300 °C, trace amounts of ABS on TiO2 presented no influence on the NH3-SCR performance. The electrons deviating towards sulfates through the bond between ABS and metal oxides (WO3 and TiO2) weakened the stability of ABS and lowered its decomposition temperature, whereas the vanadia species played the opposite role due to the sulfur species existing in an electron saturation state with the formation of the VOSO4 intermediate. The presence of NO + O2 could break the bonds inside ABS and it could react with the ammonium species originating from ABS, which pulls NH3 out of the ABS formation equilibrium and accelerates its decomposition and competitively inhibits its formation. Correspondingly, the faster NH3-SCR conversion rate and higher N2 selectivity improve the ABS poisoning resistance of the V/WTi catalyst at low temperatures.

  12. Optimization of bioselective membrane of amperometric enzyme sensor on basis of glucose oxidase using NH2-modified multi-wall carbone nanotubes

    Directory of Open Access Journals (Sweden)

    Korpan Ya. I.

    2010-02-01

    Full Text Available Aim. To investigate a possibility of application of multi-wall carbone nanotubes modified with NH2-groups (MWCNT-NH2 for creation of sensitive elements of the amperometric biosensor based on immobilized oxidoreductases, in particular, glucose oxidase (GOD. To study electrochemical properties of the membranes obtained. Methods. Experiments were carried out with amperometric methods using the ìStat 200 device («DropSens», Spain. The enzymes were immobilised in glutaraldehyde vapour. Results. The method of formation of bioselective matrix based on immobilised GOD with MNP-NH2 on the surface of gold amperometric electrodes was optimised. Optimal working conditions of the biosensor developed were determined. Conclusion. MWCNT integration into a bioselective matrix improves the biosensor analytical characteristics which means: higher signal value, wider linear range of glucose analysis, and possibility of substrate determination in wide range of working potential.

  13. An ambient experimental study of phase equilibrium in the atmospheric system: Aerosol H +, NH 4+, SO 2-4, NO 3--NH 3(g), HNO 3(g)

    Science.gov (United States)

    Tanner, Roger L.

    A major simplification in the quantitative modeling of the atmospheric impact of the major aerosol and gaseous sulfur and nitrogen compounds would result from demonstration of phase equilibrium between the gases NH 3, HNO 3 and the appropriate aerosol-phase ionic or molecular species in the ambient atmosphere. The phase diagram of the (NH 4) 2SO 4-H 2SO 4-H 2O and NH 4NO 3-H 2O systems have been recently refined by experimental measurements and preliminary calculations of the mixed nitrate-sulfate system have also been made. Experiments to test the applicability of existing phase equilibria considerations to the ambient atmosphere have been designed and conducted based on newly devised techniques for continuous determination of gaseous NH 3 with time resolution acid and aerosol nitrate with time resolution of ~ 15 min. Preliminary results suggest that during a daytime period with aerosol composition approximating a letovicite-NH 4NO 3 mixture, observed products of NH 3 (g) and HNO 3(g) concentrations agreed very well with the equilibrium constant calculated for the ammonium nitrate-NH 3(g), HNO 3(g) equilibrium. During a night-time period, the predicted ammonia concentrations, based on bulk aerosol composition data, were much lower and nitric acid concentrations much higher, respectively, than the observed values. The error sources in the measured and calculated values do not appear to account for the apparent deviations from gas-phase concentrations based on the droplet-pH controlling bisulfate-sulfate equilibrium.

  14. 氧化石墨烯的制备及其对NH3的敏感特性研究%Synthesis of graphene oxide and its gas sensing properties to NH3

    Institute of Scientific and Technical Information of China (English)

    孙宇峰; 刘少波; 李会华; 王萍; 孟凡利; 陈翌庆

    2012-01-01

    Graphene have attracted wide attention for its unique characteristics (e. g. electronic, thermal, mechanical etc. ). Graphene oxide not only possesses the intrinsic properties of graphene but also contains many oxygen-containing functional groups such as hydroxyl, epoxy, carboxyl and carbonyl groups. Those oxygencontaining functional groups may improve the adsorbability of graphene oxide to gases which is advantageous for its gas sensing properties. In this investigation, graphene oxide was synthesized by a modified Hummer's method. The gas sensing properties of the as-prepared graphene oxide to NH3was then investigated. The results indicate that graphene oxide exhibited excellent sensitivities to NH3 with a well linearly relationship ranging from 1.5×10^-4 to 3.5×10^-4.%石墨烯独特的原子结构赋予其电学、热学、力学等方面的优异性能,在诸多领域具有广泛的应用。氧化石墨烯不仅具有石墨烯结构特点,而且具有大量的含氧官能团,增强了对气体的吸附能力,更适合应用于气敏传感器。通过改进的Hummer方法制备了片状多层氧化石墨烯,并对不同浓度的NH3进行敏感特性测试。结果表明氧化石墨烯对NH3具有良好的响应,在(1.5-3.5)×10^-4范围内呈线性关系。

  15. Relativistic GW calculations on CH3NH3PbI3 and CH3NH3SnI3 perovskites for solar cell applications.

    Science.gov (United States)

    Umari, Paolo; Mosconi, Edoardo; De Angelis, Filippo

    2014-03-26

    Hybrid AMX3 perovskites (A = Cs, CH3NH3; M = Sn, Pb; X = halide) have revolutionized the scenario of emerging photovoltaic technologies, with very recent results demonstrating 15% efficient solar cells. The CH3NH3PbI3/MAPb(I(1-x)Cl(x))3 perovskites have dominated the field, while the similar CH3NH3SnI3 has not been exploited for photovoltaic applications. Replacement of Pb by Sn would facilitate the large uptake of perovskite-based photovoltaics. Despite the extremely fast progress, the materials electronic properties which are key to the photovoltaic performance are relatively little understood. Density Functional Theory electronic structure methods have so far delivered an unbalanced description of Pb- and Sn-based perovskites. Here we develop an effective GW method incorporating spin-orbit coupling which allows us to accurately model the electronic, optical and transport properties of CH3NH3SnI3 and CH3NH3PbI3, opening the way to new materials design. The different CH3NH3SnI3 and CH3NH3PbI3 electronic properties are discussed in light of their exploitation for solar cells, and found to be dominantly due to relativistic effects. These effects stabilize the CH3NH3PbI3 material towards oxidation, by inducing a deeper valence band edge. Relativistic effects, however, also increase the material band-gap compared to CH3NH3SnI3, due to the valence band energy downshift (~0.7 eV) being only partly compensated by the conduction band downshift (~0.2 eV).

  16. Relativistic GW calculations on CH3NH3PbI3 and CH3NH3SnI3 Perovskites for Solar Cell Applications

    Science.gov (United States)

    Umari, Paolo; Mosconi, Edoardo; de Angelis, Filippo

    2014-03-01

    Hybrid AMX3 perovskites (A = Cs, CH3NH3; M = Sn, Pb; X = halide) have revolutionized the scenario of emerging photovoltaic technologies, with very recent results demonstrating 15% efficient solar cells. The CH3NH3PbI3/MAPb(I1-xClx)3 perovskites have dominated the field, while the similar CH3NH3SnI3 has not been exploited for photovoltaic applications. Replacement of Pb by Sn would facilitate the large uptake of perovskite-based photovoltaics. Despite the extremely fast progress, the materials electronic properties which are key to the photovoltaic performance are relatively little understood. Density Functional Theory electronic structure methods have so far delivered an unbalanced description of Pb- and Sn-based perovskites. Here we develop an effective GW method incorporating spin-orbit coupling which allows us to accurately model the electronic, optical and transport properties of CH3NH3SnI3 and CH3NH3PbI3, opening the way to new materials design. The different CH3NH3SnI3 and CH3NH3PbI3 electronic properties are discussed in light of their exploitation for solar cells, and found to be dominantly due to relativistic effects. These effects stabilize the CH3NH3PbI3 material towards oxidation, by inducing a deeper valence band edge. Relativistic effects, however, also increase the material band-gap compared to CH3NH3SnI3, due to the valence band energy downshift (~0.7 eV) being only partly compensated by the conduction band downshift (~0.2 eV).

  17. Solvent-Mediated Crystallization of CH3NH3SnI3 Films for Heterojunction Depleted Perovskite Solar Cells.

    Science.gov (United States)

    Hao, Feng; Stoumpos, Constantinos C; Guo, Peijun; Zhou, Nanjia; Marks, Tobin J; Chang, Robert P H; Kanatzidis, Mercouri G

    2015-09-09

    Organo-lead halide perovskite solar cells have gained enormous significance and have now achieved power conversion efficiencies of ∼20%. However, the potential toxicity of lead in these systems raises environmental concerns for widespread deployment. Here we investigate solvent effects on the crystallization of the lead-free methylammonium tin triiodide (CH3NH3SnI3) perovskite films in a solution growth process. Highly uniform, pinhole-free perovskite films are obtained from a dimethyl sulfoxide (DMSO) solution via a transitional SnI2·3DMSO intermediate phase. This high-quality perovskite film enables the realization of heterojunction depleted solar cells based on mesoporous TiO2 layer but in the absence of any hole-transporting material with an unprecedented photocurrent up to 21 mA cm(-2). Charge extraction and transient photovoltage decay measurements reveal high carrier densities in the CH3NH3SnI3 perovskite device which are one order of magnitude larger than CH3NH3PbI3-based devices but with comparable recombination lifetimes in both devices. The relatively high background dark carrier density of the Sn-based perovskite is responsible for the lower photovoltaic efficiency in comparison to the Pb-based analogues. These results provide important progress toward achieving improved perovskite morphology control in realizing solution-processed highly efficient lead-free perovskite solar cells.

  18. Optical sites in Eu- and Mg-codoped GaN grown by NH3-source molecular beam epitaxy

    Science.gov (United States)

    Sekiguchi, Hiroto; Sakai, Masaru; Kamada, Takuho; Tateishi, Hiroki; Syouji, Atsushi; Wakahara, Akihiro

    2016-10-01

    Mg codoping can improve the luminescence properties of Eu-doped GaN. However, the enhanced optical sites differ depending on the fabrication method. In this study, the optical sites in Eu- and Mg-codoped GaN [GaN:(Eu, Mg)] grown by NH3-source molecular beam epitaxy (MBE) were evaluated. The optical properties of an Eu-Mg-related site grown by NH3-MBE were highly stable against thermal annealing. Although the luminescence at sites A (622.3 and 633.8 nm) and B (621.9 and 622.8 nm) was dominant under indirect excitation of Eu ions through GaN, four different optical site groups in addition to sites A and B were observed under resonant excitation. These optical sites are inconsistent with the Eu-Mg-related sites reportedly observed in GaN:(Eu, Mg) fabricated by organometallic vapor phase epitaxy, indicating that the optical site constitution strongly depends on the growth method. Furthermore, site A, with a high cross section, contributed to as much as 22% of the total photoluminescence (PL) integrated intensity for GaN:(Eu, Mg) grown by NH3-MBE, which resulted in a high PL intensity.

  19. Complete genome sequence of the cystic fibrosis pathogen Achromobacter xylosoxidans NH44784-1996 complies with important pathogenic phenotypes.

    Science.gov (United States)

    Jakobsen, Tim Holm; Hansen, Martin Asser; Jensen, Peter Østrup; Hansen, Lars; Riber, Leise; Cockburn, April; Kolpen, Mette; Rønne Hansen, Christine; Ridderberg, Winnie; Eickhardt, Steffen; Hansen, Marlene; Kerpedjiev, Peter; Alhede, Morten; Qvortrup, Klaus; Burmølle, Mette; Moser, Claus; Kühl, Michael; Ciofu, Oana; Givskov, Michael; Sørensen, Søren J; Høiby, Niels; Bjarnsholt, Thomas

    2013-01-01

    Achromobacter xylosoxidans is an environmental opportunistic pathogen, which infects an increasing number of immunocompromised patients. In this study we combined genomic analysis of a clinical isolated A. xylosoxidans strain with phenotypic investigations of its important pathogenic features. We present a complete assembly of the genome of A. xylosoxidans NH44784-1996, an isolate from a cystic fibrosis patient obtained in 1996. The genome of A. xylosoxidans NH44784-1996 contains approximately 7 million base pairs with 6390 potential protein-coding sequences. We identified several features that render it an opportunistic human pathogen, We found genes involved in anaerobic growth and the pgaABCD operon encoding the biofilm adhesin poly-β-1,6-N-acetyl-D-glucosamin. Furthermore, the genome contains a range of antibiotic resistance genes coding efflux pump systems and antibiotic modifying enzymes. In vitro studies of A. xylosoxidans NH44784-1996 confirmed the genomic evidence for its ability to form biofilms, anaerobic growth via denitrification, and resistance to a broad range of antibiotics. Our investigation enables further studies of the functionality of important identified genes contributing to the pathogenicity of A. xylosoxidans and thereby improves our understanding and ability to treat this emerging pathogen.

  20. Complete genome sequence of the cystic fibrosis pathogen Achromobacter xylosoxidans NH44784-1996 complies with important pathogenic phenotypes.

    Directory of Open Access Journals (Sweden)

    Tim Holm Jakobsen

    Full Text Available Achromobacter xylosoxidans is an environmental opportunistic pathogen, which infects an increasing number of immunocompromised patients. In this study we combined genomic analysis of a clinical isolated A. xylosoxidans strain with phenotypic investigations of its important pathogenic features. We present a complete assembly of the genome of A. xylosoxidans NH44784-1996, an isolate from a cystic fibrosis patient obtained in 1996. The genome of A. xylosoxidans NH44784-1996 contains approximately 7 million base pairs with 6390 potential protein-coding sequences. We identified several features that render it an opportunistic human pathogen, We found genes involved in anaerobic growth and the pgaABCD operon encoding the biofilm adhesin poly-β-1,6-N-acetyl-D-glucosamin. Furthermore, the genome contains a range of antibiotic resistance genes coding efflux pump systems and antibiotic modifying enzymes. In vitro studies of A. xylosoxidans NH44784-1996 confirmed the genomic evidence for its ability to form biofilms, anaerobic growth via denitrification, and resistance to a broad range of antibiotics. Our investigation enables further studies of the functionality of important identified genes contributing to the pathogenicity of A. xylosoxidans and thereby improves our understanding and ability to treat this emerging pathogen.

  1. Product energy distributions from the 193 nm photodissociation of NH 3

    Science.gov (United States)

    Koplitz, B.; Xu, Z.; Wittig, C.

    1987-07-01

    Product energy distributions are reported for 193 nm NH 3 photodissociation. Velocity-aligned Doppler spectroscopy on the H-atom fragment reveals a "cold" kinetic energy distribution, indicating a high degree of NH 2 internal excitation. Data are compared with the trajectory calculations of Rice, Raff and Thompson for NH 3(X˜ 1A 1) dissociation, and the reaction mechanism of Ashfold, Bennett and Dixon is discussed.

  2. Thermal Transformation of NH4-Clinoptilolite to Mullite and Silica Polymorphs

    OpenAIRE

    Antonio Brundu; Guido Cerri; Eleonora Sale

    2017-01-01

    Clinoptilolite is a natural zeolite used for the abatement of ammonium in the treatment of urban wastewater. By considering that mullite was obtained through thermal treatment of NH4-exchanged synthetic zeolites, this work aimed to evaluate if this phase can be obtained from NH4-clinoptilolite. A material containing about 90 wt % of clinoptilolite, prepared using a Sardinian zeolite-rich rock, was NH4-exchanged and subjected to treatments up to 1200 °C. After dehydration, de-ammoniation, and ...

  3. Hydrogen storage of a novel combined system of LiNH2-NaMgH3: synergistic effects of in situ formed alkali and alkaline-earth metal hydrides.

    Science.gov (United States)

    Li, Yongtao; Fang, Fang; Song, Yun; Li, Yuesheng; Sun, Dalin; Zheng, Shiyou; Bendersky, Leonid A; Zhang, Qingan; Ouyang, Liuzhang; Zhu, Min

    2013-02-07

    Bimetallic hydride NaMgH(3) is used for the first time as a vehicle to enhance hydrogen release and uptake from LiNH(2). The combination of NaMgH(3) with LiNH(2) at a molar ratio of 1 : 2 can release about 4.0 wt% of hydrogen without detectable NH(3) emission in the temperature range of 45 °C to 325 °C and exhibiting superior dehydrogenation as compared to individual NaH and/or MgH(2) combined with LiNH(2). A high capacity retention of about 75% resulting from the introduction of NaMgH(3) is also achieved in LiNH(2) as well as re-hydrogenation under milder conditions of 180 °C and 5 MPa H(2) pressure. These significant improvements are attributed to synergistic effects of in situ formed NaH and MgH(2)via the decomposition of NaMgH(3) where a succession of competing reactions from the cyclic consumption/recovery of NaH are involved and serve as a "carrier" for the ultra-rapid conveyance of the N-containing species between the [NH(2)](-) amide and the resulting [NH](2-) imide complexes.

  4. Ultra-sensitive and selective NH3 room temperature gas sensing induced by manganese-doped titanium dioxide nanoparticles.

    Science.gov (United States)

    Tshabalala, Zamaswazi P; Shingange, Katekani; Cummings, Franscious R; Ntwaeaborwa, Odireleng M; Mhlongo, Gugu H; Motaung, David E

    2017-10-15

    The study of the fabrication of ultra-high sensitive and selective room temperature ammonia (NH3) and nitrogen dioxide (NO2) gas sensors remains an important scientific challenge in the gas sensing field. This is motivated by their harmful impact on the human health and environment. Therefore, herein, we report for the first time on the gas sensing properties of TiO2 nanoparticles doped with various concentrations of manganese (Mn) (1.0, 1.5, 2.0, 2.5 and 3.0mol.% presented as S1, S2, S3, S4 and S5, respectively), synthesized using hydrothermal method. Structural analyses showed that both undoped and Mn-doped TiO2 crystallized in tetragonal phases. Optical studies revealed that the Mn doped TiO2 nanoparticles have enhanced UV→Vis emission with a broad shoulder at 540nm, signifying induced defects by substituting Ti(4+) ions with Mn(2+). The X-ray photoelectron spectroscopy and the electron paramagnetic resonance studies revealed the presence of Ti(3+) and singly ionized oxygen vacancies in both pure and Mn doped TiO2 nanoparticles. Additionally, a hyperfine split due to Mn(2+) ferromagnetic ordering was observed, confirming incorporation of Mn ions into the lattice sites. The sensitivity, selectivity, operating temperature, and response-recovery times were thoroughly evaluated according to the alteration in the materials electrical resistance in the presence of the target gases. Gas sensing studies showed that Mn(2+) doped on the TiO2 surface improved the NH3 sensing performance in terms of response, sensitivity and selectivity. The S1 sensing material revealed higher sensitivity of 127.39 at 20 ppm NH3 gas. The sensing mechanism towards NH3 gas is also proposed. Copyright © 2017 Elsevier Inc. All rights reserved.

  5. Investigation on thermal evaporated CH3NH3PbI3 thin films

    Directory of Open Access Journals (Sweden)

    Youzhen Li

    2015-09-01

    Full Text Available CH3NH3I, PbI2 and CH3NH3PbI3 films were fabricated by evaporation and characterized with X-ray Photoelectron Spectroscopy (XPS and X-ray diffraction (XRD. The XPS results indicate that the PbI2 and CH3NH3PbI3 films are more uniform and stable than the CH3NH3I film. The atomic ratio of the CH3NH3I, PbI2 and CH3NH3PbI3 films are C:N:I=1.00:1.01:0.70, Pb:I= 1.00:1.91 and C: N: Pb: I = 1.29:1.07:1.00:2.94, respectively. The atomic ratio of CH3NH3PbI3 is very close to that of the ideal perovskite. Small angle x-ray diffraction results demonstrate that the as evaporated CH3NH3PbI3 film is crystalline. The valence band maximum (VBM and work function (WF of the CH3NH3PbI3 film are about 0.85eV and 4.86eV, respectively.

  6. NH4SH and cloud cover in the atmospheres of the giant planets

    Science.gov (United States)

    Ibragimov, K. Iu.; Solodovnik, A. A.

    1991-02-01

    The probability of the formation of NH4SH and (NH4)2S is examined on the basis of the Le Chatelier principle. It is shown that it is very doubtful if NH4SH can be created in the atmospheres of the giant planets in quantities sufficient for cloud formation. Thus (NH4)2S is considered as a more likely candidate for cloud formation in the atmospheres of these planets, inasmuch as the conditions for its production there are more favorable.

  7. Formation of HCN and NH{sub 3} during Datong coal pyrolysis in arc plasma jet

    Energy Technology Data Exchange (ETDEWEB)

    Bao Wei-ren; Zhang Jin-cao; Shen Shu-guang; Cao Qing; Lu Yong-kang [Taiyuan University of Technology, Taiyuan (China). Key Laboratory of Coal Science and Technology

    2006-07-01

    The formation of HCN and NH{sub 3} from coal-N was investigated in a plasma coal pyrolysis reactor. Based on Gibbs free energy minimization principle, Thermodynamic equilibrium fraction of C-H-O-N was calculated. The results from experiments and calculation suggest that HCN is the main product of coal-N at high temperature. Only a little coal-N convertedto NH{sub 3}. As the temperature increases, the yields of HCN and NH{sub 3} increases from the experimental results, but the theoretic calculated results show that HCN gradually increases and NH{sub 3} decreases. The possible reason is the influence of practical operating condition. The yield of HCN increases firstly and then decreases with increasing coal feeding rate, but NH{sub 3} is reverse. Enhancement of input power lease to the increase of HCN and NH{sub 3} yields. H{sub 2} acting as the reactive atmosphere benefits to the formation of HCN and NH{sub 3}, and CO{sub 2} may reduce the yields of HCN and NH{sub 3}, O{sub 2} enhance the formation of NH{sub 3}, but promotes the furthermore conversion of HCN. 12 refs., 4 figs., 1 tab.

  8. CN and NH2 atmospheres of Comet C/1999 J3 (Linear)

    Science.gov (United States)

    Korsun, P. P.; Jockers, K.

    2000-09-01

    Observations of Comet C/1999 J3 were made at the 2-m telescope of the Pik Terskol Observatory on September 19, 1999. Narrow-band CCD images of the CN, NH2, and dust atmospheres have been recorded using the two-channel focal reducer of the Max-Plank-Institute for Aeronomy. To fit distributions of the CN and NH2 molecules in the comet atmosphere Monte Carlo model was adopted. Model calculations were successful with photodissociation lifetimes equal to τCN=1.5×105s and τ{CNparent}=3.2×104s for CN and its parent, τ{NH2}=1.0×105s and τ{NH2parent}=5.0×103s for NH2 and its parent, respectively. These results are in agreement with HCN as the main source of the CN radicals and NH3 as the main source of the NH2 radicals in the atmosphere of Comet C/1999 J3 (Linear). The gas-production rates of CN, Q(CN)=3.8×1025 mol-1, and NH2, Q(NH2)=2.6×1025 mol-1, have been determined as well. These values are about 0.24% and 0.16%, respectively, of the water production rate.

  9. Absolute intensities of NH-stretching transitions in dimethylamine and pyrrole.

    Science.gov (United States)

    Miller, Benjamin J; Du, Lin; Steel, Thomas J; Paul, Allanah J; Södergren, A Helena; Lane, Joseph R; Henry, Bryan R; Kjaergaard, Henrik G

    2012-01-12

    Vibrational spectra of vapor-phase dimethylamine (DMA) and pyrrole have been recorded in the 1000 to 13000 cm(-1) region using long path conventional spectroscopy techniques. We have focused on the absolute intensities of the NH-stretching fundamental and overtone transitions; Δν(NH) = 1-4 regions for DMA and the Δν(NH) = 1-3 regions for pyrrole. In the Δν(NH) = 1-3 regions for DMA, evidence of tunneling splitting associated with the NH-wagging mode is observed. For DMA, the fundamental NH-stretching transition intensity is weaker than the first NH-stretching overtone. Also, the fundamental NH-stretching transition in DMA is much weaker than the fundamental transition in pyrrole. We have used an anharmonic oscillator local mode model with ab initio calculated local mode parameters and dipole moment functions at the CCSD(T)/aug-cc-pVTZ level to calculate the NH-stretching intensities and explain this intensity anomaly in DMA.

  10. Toxic effects of NH4(+)-N on embryonic development of Bufo gargarizans and Rana chensinensis.

    Science.gov (United States)

    Deng, Hongzhang; Chai, Lihong; Luo, Pingping; Zhou, Meimei; Nover, Daniel; Zhao, Xiaohong

    2017-09-01

    Although nitrogen fertilizer is commonly used worldwide, little information is currently available about NH4(+)-N toxicity on amphibians. This study determined the acute and chronic toxic effects of NH4(+)-N on two native Chinese amphibian species (Bufo gargarizans and Rana chensinensis), and compared the negative sensitivity of different embryos to NH4(+)-N. Static renewal aqueous exposures were performed using B. gargarizans and R. chensinensis embryos at Gosner stage 2 over 96 h. In terms of 96 h-LC50, B. gargarizans and R. chensinensis embryos had significantly different responses to NH4(+)-N, and the latter was more sensitive to NH4(+)-N than the former. In the chronic toxicity test, exposure to 10 mg L(-1)NH4(+)-N or higher significantly decreased the hatching rate of embryos in both species. Significant increases in the abnormality rate of embryos at 50 mg L(-1)NH4(+)-N or higher were observed and morphological abnormalities were characterized by axial flexures, yolk sac edema, and hyperplasia in both species. Additionally, the total length of embryos decreased in a dose-dependent manner after exposure to NH4(+)-N. The results indicate that NH4(+)-N exposure can increase abnormality and inhibit the hatching and development of embryos in B. gargarizans and R. chensinensis. Copyright © 2017 Elsevier Ltd. All rights reserved.

  11. THE STRUGGLE OF GENDER EQUALITY IN FIVE NOVELS OF Nh. DINI

    Directory of Open Access Journals (Sweden)

    Siti Norma Nasution

    2015-02-01

    Full Text Available This study explores the problems of women , patriarchal culture and the fight for gender equality as exposed in Nh. Dini’s novels. There are still many women who are trapped in domestic sector and loose their rights to manage their own lives with their own way. There have been many women who are successful working in public sector, but the number are still very small compared to the number of men who are successful. This study tends to expose the problems of women to reach gender equality for women. This study is importantly conducted because Nh. Dini’s literary works reveal the problems of women related to patriarchal culture which hampers the progress of women. The present study is different with the previous one, because this study explores feminism ideology which is against patriarchal culture and tradition which is still adopted by people as portrayed in five novels of Nh. Dini. The theory of Dinamic Structuralism is used to explain the interconnection of all aspects and components of the novels to get the complete meaning. The theory of Sociology of Literature is used to relate the social problems in the novels to the realities in the real world. The theory of Feminism is used to understand the novels related to women problems, patriarchal culture and gender equality. Text analysis based on the problems of the study revealed that many women are still trapped in domestic sector, still dominated by patriarchal culture. They loose their fundamental rights to manage their own lives and to improve their lives quality to become qualified women. Consenquently the women are so dependent on other people. Analysis about the factors which caused the poverty and misery of women revealed that the main cause of the women problems in the novels is patriarchal culture. The women are not permitted to work in public sector to earn their own lives. Consenquently many women become poor for being jobless. The fight for gender equality that revealed in five

  12. Thermolysis and solid state NMR studies of NaB3H8, NH3B3H7, and NH4B3H8.

    Science.gov (United States)

    Huang, Zhenguo; Eagles, Mitch; Porter, Spencer; Sorte, Eric G; Billet, Beau; Corey, Robert L; Conradi, Mark S; Zhao, Ji-Cheng

    2013-01-21

    In an effort to broaden the search for high-capacity hydrogen storage materials, three triborane compounds, NaB(3)H(8), NH(3)B(3)H(7), and NH(4)B(3)H(8), were studied. In addition to hydrogen, thermal decomposition also releases volatile boranes, and the relative amounts and species depend on the cations (Na(+), NH(4)(+)) and the Lewis base (NH(3)). Static-sample hydrogen NMR is used to probe molecular motion in the three solids. In each case, the line width decreases from low temperatures to room temperature in accordance with a model of isotropic or nearly isotropic reorientations. Such motions also explain a deep minimum in the relaxation time T(1). Translational diffusion never appears to be rapid on the 10(-5) s time scale of NMR.

  13. Limited overshooting of NH{sub 4}{sup +} ions in ammonium perchlorate; Ograniczene przeskoki jonow NH{sub 4}{sup +} w nadchloranie amonowym

    Energy Technology Data Exchange (ETDEWEB)

    Birczynski, A.; Lalowicz, Z.T. [Inst. of Nuclear Physics, Cracow (Poland); Ingman, L.P.; Punkkinen, M.; Ylinen, E.E. [Wihuri Physical Lab., Turku Univ., Turku (Finland)

    1995-12-31

    The interpretation of NMR spectra for polycrystalline sample of ammonium perchlorate in helium temperature assumes the tunneling of NH{sub 4}{sup +}. Such interpretation does not agree with experimental data. The hypothesis of additional motion (fast rotation around one of C3 axis) has been checked and discussed on the base of NMR spectra of NH{sub 4}ClO{sub 4} monocrystal for the temperature range 2.1-25 K. 9 refs, 1 fig.

  14. Vibrations and reorientations of NH3 molecules in [Mn(NH3)6](ClO4)2 studied by infrared spectroscopy and theoretical (DFT) calculations.

    Science.gov (United States)

    Hetmańczyk, Joanna; Hetmańczyk, Łukasz; Migdał-Mikuli, Anna; Mikuli, Edward

    2015-02-05

    The vibrational and reorientational motions of NH3 ligands and ClO4(-) anions were investigated by Fourier transform middle-infrared spectroscopy (FT-IR) in the high- and low-temperature phases of [Mn(NH3)6](ClO4)2. The temperature dependencies of full width at half maximum (FWHM) of the infrared bands at: 591 and 3385cm(-1), associated with: ρr(NH3) and νas(N-H) modes, respectively, indicate that there exist fast (correlation times τR≈10(-12)-10(-13)s) reorientational motions of NH3 ligands, with a mean values of activation energies: 7.8 and 4.5kJmol(-1), in the phase I and II, respectively. These reorientational motions of NH3 ligands are only slightly disturbed in the phase transition region and do not significantly contribute to the phase transition mechanism. Fourier transform far-infrared and middle-infrared spectra with decreasing of temperature indicated characteristic changes at the vicinity of PT at TC(c)=137.6K (on cooling), which suggested lowering of the crystal structure symmetry. Infrared spectra of [Mn(NH3)6](ClO4)2 were recorded and interpreted by comparison with respective theoretical spectra calculated using DFT method (B3LYP functional, LANL2DZ ECP basis set (on Mn atom) and 6-311+G(d,p) basis set (on H, N, Cl, O atoms) for the isolated equilibrium two models (Model 1 - separate isolated [Mn(NH3)6](2+) cation and ClO4(-) anion and Model 2 - [Mn(NH3)6(ClO4)2] complex system). Calculated optical spectra show a good agreement with the experimental infrared spectra (FT-FIR and FT-MIR) for the both models. Copyright © 2014 Elsevier B.V. All rights reserved.

  15. Absorption spectroscopy of RDX monopropellant flames: CN and NH concentrations

    Science.gov (United States)

    Homan, B. E.; Vanderhoff, John A.

    1997-11-01

    UV-visible multi-channel absorption spectroscopy has been used to probe the self-sustained combustion of pressed RDX, a main energetic ingredient found in modern day propellants and explosives. The two dimensional feature of an intensified CCD detector allowed simultaneous recording of multiple, spatially distinct absorption spectra. Between 10 and 12 equally spaced absorption spectra with spatial resolution as small as 0.163 mm have been obtained during 1 ms exposure. The number of absorption spectra and the spatial resolution can easily be set by the detector software, size of the excitation sheet and the focal length of the collection lens. Temporal resolution in the UV region has been increased to 1 ms by pulsing the light source. A 0.54 joule pulse with a duration of 0.75 ms was added to a simmering Xenon arc lamp for the measurement of combustion species. The increase in light intensity of 30 and 70 times the non-pulsed output provided the necessary light flux to achieve single pulse, multiple absorption spectra. To increase the species concentration sensitivity of the experiment, a triple pass optical arrangement was adopted. Partially silvered windows were installed at an angle to the beam providing for three passes across the samples. The corresponding path length was increased by a factor of 2.8 times the sample diameter. Least squares analysis of absorption spectra provide mole fraction profiles for OH, CN and NH along with temperature. Profiles for NC and HN have been determined for self-sustained combustion of RDX in 1.0, 1.5 and 2.0 atm air. Peak CN mole fractions of about 200 ppm are observed at 1 atm pressure and the NH mole fraction is about a factor of two lower. As the pressure is increased the reactive CN and HN species peak closer to the combusting surface and reside over a smaller spatial extent. Peak concentrations drop for these higher pressures, but may be due, at least in part, to limitations of the spatial resolution of the absorption

  16. Infrared spectrum of the cold ortho-fluorinated protonated neurotransmitter 2-phenylethylamine: competition between NH(+)π and NH(+)F interactions.

    Science.gov (United States)

    Schütz, Markus; Bouchet, Aude; Dopfer, Otto

    2016-09-29

    Halogenation of pharmaceutical molecules is a common tool to modify their physiological properties. The geometric, vibrational, and electronic properties of the ortho-fluorinated protonated neurotransmitter 2-phenylethylamine (oF-H(+)PEA) are characterized by infrared photodissociation (IRPD) spectroscopy in the NH stretch range using the messenger technique and dispersion-corrected density functional theory calculations at the B3LYP-D3/aug-cc-pVTZ level to elucidate the drastic effect of site-specific ortho-fluorination. The IRPD spectra of cold oF-H(+)PEA-Rg dimers (Rg = Ne, Ar) are assigned to the most stable gauche conformer (Gf1) of oF-H(+)PEA, which benefits from both NH(+)π and NH(+)F interactions. A minor contribution (∼5%) of the slightly less stable Gf2 gauche conformer (E0 = +1.1 kJ mol(-1)) is also identified. Comparison of oF-H(+)PEA with unsubstituted H(+)PEA reveals a much stronger NH(+)π interaction in H(+)PEA resulting in a large red shift of the bonded NH stretch frequency. This behavior is confirmed by natural bond orbital (NBO) analysis and noncovalent interaction (NCI) calculations. The Rg ligand prefers a binding site at which it can maximize the interaction with the aromatic π electron system and the ammonium group. Although the intermolecular interactions with the Rg atoms can compete with the noncovalent intramolecular bonds, they induce only minor spectral shifts in the NH stretch range.

  17. Properties of oxidized linen fiber grafted with HBP-NH2%HBP-NH2接枝氧化亚麻纤维性能研究

    Institute of Scientific and Technical Information of China (English)

    赵兵; 张峰; 林红; 陈宇岳

    2010-01-01

    高碘酸钠选择性氧化亚麻纤维生成活性醛基,氧化亚麻纤维表面的醛基具有和端氨基超支化合物(HBP-NH2)表面的氨基共价结合的能力,从而制备了HBP-NH2接枝氧化亚麻纤维.以部分活性染料和直接染料为例研究了HBP-NH2接枝氧化亚麻纤维的无盐染色性能,以金黄色葡萄球菌和大肠杆菌为例研究了HBP-NH2接枝氧化亚麻纤维的抗菌性能.结果表明:与常规有盐染色相比,HBP-NH2接枝氧化亚麻纤维的上染性能提高,色牢度令人满意.HBP-NH2接枝氧化亚麻纤维具有优异的抗菌性能和抗菌持久性.

  18. Compositional effects on the hydrogen storage properties of Mg(NH2)2-2LiH-xKH and the activity of KH during dehydrogenation reactions.

    Science.gov (United States)

    Li, Chao; Liu, Yongfeng; Pang, Yuepeng; Gu, Yingjie; Gao, Mingxia; Pan, Hongge

    2014-02-14

    Potassium hydride (KH) was directly added to a Mg(NH2)2-2LiH system to improve the hydrogen storage properties; the corresponding mechanisms were elucidated. The Mg(NH2)2-2LiH-0.08KH composite displays optimized hydrogen-storage properties, reversibly storing approximately 5.2 wt% hydrogen through a two-stage reaction and a dehydrogenation onset at 70 °C. The 0.08KH-added sample fully dehydrogenated at 130 °C begins to absorb hydrogen at 50 °C, and takes up approximately 5.1 wt% of hydrogen at 140 °C. Adding KH significantly enhances the de-/hydrogenation kinetic properties; however, an overly rapid hydrogenation rate enlarges the particle size and raises the dehydrogenation temperature. A cycling evaluation reveals that the KH-added Mg(NH2)2-2LiH system possesses good reversible hydrogen storage abilities, although the operational temperatures for de-/hydrogenation increase during cycling. Detailed mechanistic investigations indicate that adding KH catalytically decreases the activation energy of the first dehydrogenation step and reduces the enthalpy of desorption during the second dehydrogenation step as a reactant, significantly improving the hydrogen storage properties of Mg(NH2)2-2LiH.

  19. Promotional Effect of Ce on Iron-Based Catalysts for Selective Catalytic Reduction of NO with NH3

    OpenAIRE

    Xiaobo Wang; Lei Zhang; Shiguo Wu; Weixin Zou; Shuohan Yu; Ye Shao; Lin Dong

    2016-01-01

    A series of Fe–Ce–Ti catalysts were prepared via co-precipitation method to investigate the effect of doping Ce into Fe–Ti catalysts for selective catalytic reduction of NO with NH3. The NO conversion over Fe–Ce–Ti catalysts was considerably improved after Ce doping compared to that of Fe–Ti catalysts. The Fe(0.2)–Ce(0.4)–Ti catalysts exhibited superior catalytic activity to that of Fe(0.2)–Ti catalysts. The obtained catalysts were characterized by N2 adsorption (BET), X-ray diffraction (XRD)...

  20. Nano metal-enhanced power conversion efficiency in CH3NH3PbI3 solar cells

    Science.gov (United States)

    Yu, Jing; Zhang, Chao; Yang, Siyu; Chen, Meina; Lei, Fengcai; Man, Baoyuan

    2017-04-01

    Nano metal-enhanced power conversion efficiency (PCE) in CH3NH3PbI3 solar cells utilizing the forward scattering effect of metal nanoparticles has been researched in this paper by finite difference time domain method. Two structures are designed in the research to explore this feasibility, by adjusting the materials, sizes and surface coverages of metal nanoparticles, both of them exhibit the exciting results bringing the max PCE enhancements by 12.18% and 8.03% respectively. Especially, considering the huge handleability of the second structure, this method has large applications in further improving the performance for other perovskite solar cells.

  1. Alloyed Ni-Fe nanoparticles as catalysts for NH3 decomposition

    DEFF Research Database (Denmark)

    Simonsen, Søren Bredmose; Chakraborty, Debasish; Chorkendorff, Ib

    2012-01-01

    temperatures and a low NH3-to-H2 ratio, the catalytic activity of the best Ni-Fe/Al2O3 catalyst was found to be comparable or even better to that of a more expensive Ru-based catalyst. Small Ni-Fe nanoparticle sizes are crucial for an optimal overall NH3 conversion because of a structural effect favoring...

  2. Adsorption of NH2 on Graphene in the Presence of Defects and Adsorbates

    Science.gov (United States)

    2013-02-05

    only NH2 adsorbates are present. To understand the variation of adsorption energy of secondary NH2 with distance, we recall that the primitive cell of...graphene contains two carbon atoms and forms a bipartite lattice.29,30 Lattice sites related to these two different atoms of the primitive cell by

  3. NH4+ triggers the release of astrocytic lactate via mitochondrial pyruvate shunting

    Science.gov (United States)

    Lerchundi, Rodrigo; Fernández-Moncada, Ignacio; Contreras-Baeza, Yasna; Sotelo-Hitschfeld, Tamara; Mächler, Philipp; Wyss, Matthias T.; Stobart, Jillian; Baeza-Lehnert, Felipe; Alegría, Karin; Weber, Bruno; Barros, L. Felipe

    2015-01-01

    Neural activity is accompanied by a transient mismatch between local glucose and oxygen metabolism, a phenomenon of physiological and pathophysiological importance termed aerobic glycolysis. Previous studies have proposed glutamate and K+ as the neuronal signals that trigger aerobic glycolysis in astrocytes. Here we used a panel of genetically encoded FRET sensors in vitro and in vivo to investigate the participation of NH4+, a by-product of catabolism that is also released by active neurons. Astrocytes in mixed cortical cultures responded to physiological levels of NH4+ with an acute rise in cytosolic lactate followed by lactate release into the extracellular space, as detected by a lactate-sniffer. An acute increase in astrocytic lactate was also observed in acute hippocampal slices exposed to NH4+ and in the somatosensory cortex of anesthetized mice in response to i.v. NH4+. Unexpectedly, NH4+ had no effect on astrocytic glucose consumption. Parallel measurements showed simultaneous cytosolic pyruvate accumulation and NADH depletion, suggesting the involvement of mitochondria. An inhibitor-stop technique confirmed a strong inhibition of mitochondrial pyruvate uptake that can be explained by mitochondrial matrix acidification. These results show that physiological NH4+ diverts the flux of pyruvate from mitochondria to lactate production and release. Considering that NH4+ is produced stoichiometrically with glutamate during excitatory neurotransmission, we propose that NH4+ behaves as an intercellular signal and that pyruvate shunting contributes to aerobic lactate production by astrocytes. PMID:26286989

  4. Synthesis, structure and magnetic properties of the polyoxovanadate cluster [Zn2(NH2(CH2)2NH2)5][{Zn(NH2(CH2)2NH2)2}2{V18O42(H2O)}]$\\cdot x$H2O ( ∼ 12), possessing a layered structure

    Indian Academy of Sciences (India)

    Srinivasan Natarajan; K S Narayan; Swapan K Pati

    2006-01-01

    A hydrothermal reaction of a mixture of ZnCl2, V2O5, ethylenediamine and water gave rise to a layered poly oxovanadate material [Zn2(NH2(CH2)2NH2)5][{Zn(NH2(CH2)2NH2)2}2{V18O42(H2O)}]$\\cdot x$H2O ( = 12) (I) consisting of [V18O42]12- clusters. These clusters, with all the vanadium ions in the +4 state, are connected together through Zn(NH2(CH2)2NH2)2 linkers forming a two-dimensional structure. The layers are also separated by distorted trigonal bipyramidal [Zn2(NH2(CH2)2NH2)5] complexes. The structure, thus, presents a dual role for the Zn-ethylenediamine complex. The magnetic susceptibility studies indicate that the interactions between the V centres in I are predominantly antiferromagnetic in nature and the compound shows highly frustrated behaviour. The magnetic properties are compared to the theoretical calculations based on the Heisenberg model, in addition to correlating to the structure. Crystal data for the complexes are presented.

  5. Identification of a transport mechanism for NH4+ in the symbiosome membrane of pea root nodules

    DEFF Research Database (Denmark)

    Mouritzen, P.; Rosendahl, L.

    1997-01-01

    Symbiosome membrane vesicles, facing bacteroid-side-out, were purified from pea (Pisum sativum L.) root nodules and used to study NH4+ transport across the membrane by recording vesicle uptake of the NH4+ analog [C-14]methylamine (MA). Membrane potentials (Delta psi) were imposed on the vesicles...

  6. Draft Genome Sequence of Bordetella avium Nh1210, an Outbreak Strain of Lockjaw Syndrome.

    Science.gov (United States)

    Moreno, Luisa Z; Knöbl, Terezinha; Grespan, André A; Felizardo, Maria R; Gomes, Cleise R; Ferreira, Thais S P; Xavier de Oliveira, Maria Gabriela; Myriantheus, Livia; Moreno, Andrea Micke

    2015-03-12

    Bordetella avium is a highly contagious bacterium that infects the upper respiratory tract of birds. B. avium Nh1210 is an outbreak strain of lockjaw syndrome in juvenile cockatiel chicks (Nymphicus hollandicus). Here, we report the draft genome sequence of strain Nh1210. Copyright © 2015 Moreno et al.

  7. Survey Observations of a Possible Glycine Precursor, Methanimine (CH$_2$NH)

    CERN Document Server

    Suzuki, Taiki; Hirota, Tomoya; Saito, Masao; Majumdar, Liton; Wakelam, Valentine

    2016-01-01

    We conducted survey observations of a glycine precursor, methanimine or methylenimine (CH$_2$NH), with the NRO 45 m telescope and the SMT telescope towards 12 high-mass and two low-mass star-forming regions in order to increase number of CH$_2$NH sources and to better understand the characteristics of CH2NH sources. As a result of our survey, CH$_2$NH was detected in eight sources, including four new sources. The estimated fractional abundances were ~10$^8$ in Orion KL and G10.47+0.03, while they were ~10$^9$ towards the other sources. Our hydrogen recombination line and past studies suggest that CH$_2$NH-rich sources have less evolved HII regions. The less destruction rates by UV flux from the central star would be contributed to the high CH$_2$NH abundances towards CH$_2$NH-rich sources. Our gas-grain chemical simulations suggest that CH$_2$NH is mostly formed in the gas-phase by neutral-neutral reactions rather than the product of thermal evaporation from the dust surfaces.

  8. Role of NH3 in the Electron-Induced Reactions of Adsorbed and Solid Cisplatin

    NARCIS (Netherlands)

    Warneke, Jonas; Rohdenburg, Markus; Zhang, Yucheng; Orzagh, Juraj; Vaz, Alfredo; Utke, Ivo; De Hosson, Jeff Th M.; van Dorp, Willem F.; Swiderek, Petra

    2016-01-01

    The electron-induced decomposition of cisplatin (cis-Pt(NH3)(2)Cl-2) was investigated to reveal if ammine (NH3) ligands have a favorable effect on the purity of deposits produced from metal-containing precursor molecules by focused electron beam induced deposition (FEBID). Scanning electron microsco

  9. Molecular beam epitaxy of GaN(0001) utilizing NH{sub 3} and/or NH{sup +}{sub {ital x}} ions: Growth kinetics and defect structure

    Energy Technology Data Exchange (ETDEWEB)

    Lee, N.; Powell, R.C.; Kim, Y.; Greene, J.E. [Materials Science Department, the Coordinated Science Laboratory, and the Materials Research Laboratory, University of Illinois, Urbana, Illinois 61801 (United States)

    1995-09-01

    Gas-source molecular beam epitaxy (GS-MBE), utilizing Ga and NH{sub 3}, and reactive-ion MBE (RIMBE), incorporating both thermal NH{sub 3} and low-energy NH{sup +}{sub {ital x}} ions, were used to grow single crystal GaN(0001) layers on Al{sub 2}O{sub 3}(0001) at temperatures {ital T}{sub {ital s}} between 700 and 850 {degree}C with deposition rates of 0.2--0.5 {mu}m h{sup {minus}1}. The RIMBE experiments were carried out with incident NH{sup +}{sub {ital x}}/Ga flux ratios {ital J}{sub NH{sup +}{sub {ital x}}}/{ital J}{sub Ga}=1.9--3.2 and NH{sup +}{sub {ital x}} acceleration energies {ital E}{sub NH{sup +}{sub {ital x}}}=45--90 eV. Plan-view and cross-sectional transmission electron microscopy analyses showed that the primary defects in the GS-MBE films were threading dislocations having either pure edge or mixed edge/screw characteristics with Burgers vectors {bar b}=1/3{l_angle}2{bar 1}{bar 1}0{r_angle}, basal-plane stacking faults with displacement vectors {bar R}=1/6{l_angle}02{bar 2}3{r_angle}, and prismatic stacking faults with {bar R}=1/2{l_angle}{bar 1}101{r_angle}. In the case of RIMBE films, no stacking faults or residual ion-induced defects were observed with {ital E}{sub NH{sup +}{sub {ital x}}}=45 eV and {ital T}{sub {ital s}}{ge}800 {degree}C. However, increasing {ital E}{sub NH{sup +}{sub {ital x}}} to {ge}60 eV at {ital T}{sub {ital s}}=800 {degree}C gave rise to the formation of residual ion-induced point-defect clusters observable by transmission electron microscopy (TEM). Increasing {ital T}{sub {ital s}} to 850 {degree}C with {ital E}{sub NH{sup +}{sub {ital x}}}{ge}60 eV resulted in the ion-induced defects aggregating to form interstitial basal and prismatic dislocation loops, whose number densities depended upon the ion flux, with Burgers vectors 1/2{l_angle}0001{r_angle} and 1/3{l_angle}2{bar 1}{bar 1}0{r_angle}, respectively. (Abstract Truncated)

  10. Crystal Structure Studies on p-Substitutedbenzenesulphonamides 4-X-C6H4SO2NH2 (X = CH3, NH2 F, Cl or Br)

    Science.gov (United States)

    Thimme Gowda, B.; Jyothi, K.; Kožíšek, Jozef; Fuess, Hartmut

    2003-11-01

    Effect of ring substitution on the crystal structures of p-substitutedbenzenesulphonamides, p-XC6H4SO2NH2 (X = F, Cl, Br, CH3 or NH2) has been studied by determining the crystal structures of 4-chlorobenzenesulphonamide (4-ClC6H4SO2NH2) and 4-bromobenzenesulphonamide (4-BrC6H4SO2NH2) and analyzing the results along with the structures of 4-methylbenzenesulphonamide (4-CH3C6H4SO2NH2), 4-fluorobenzene-sulphonamide (4-FC6H4SO2NH2) and 4-aminobenzenesulphonamide (4-NH2C6H4SO2NH2). The crystal type, space group, formula units and lattice constants in Å of new structures are: (4-ClC6H4SO2NH2); monoclinic, P21/n, Z = 4, a = 6.6276(10), b = 16.219(3), c = 7.5716(10), β = 93.387(14)°; (4-BrC6H4SO2NH2): monoclinic, P 21/n, Z = 4, a = 6.5660(10), b = 16.4630(10), c = 7.6900(10), β = 92.760(10)°. Orientation of the amine group with respect to the phenyl ring is given by the torsion angles C(2)-C(1)-S-N: 70.9° and C(6)-C(1)-S-N: -108.5°. Similarly, the orientation of S, O(1) and O(2) with respect to the ring are given by torsion angles. The comparison of bond lengths and bond angles of 4-fluoro-, 4-chloro-, 4-bromo-, 4-methyl- and 4-amino-benzenesulphonamides reveal that the S-N and C-S bond lengths decrease with the introduction of electron-withdrawing substituents such as F, Cl or Br, while these groups do not have significant effects on the S-O distances. The effect on ring C-C distances was not uniform. Substitution of F, Cl or Br decreases the O-S-N bond angle, but increases the O-S-N, N-S-C(1) and C(3)-C(4)-C(5) bond angles.

  11. Short-term effects of natural and NH4+-enriched chabazite zeolitite amendments to soil microbial biomass

    Science.gov (United States)

    Ferretti, Giacomo; Keiblinger, Katharina Maria; Di Giuseppe, Dario; Faccini, Barbara; Colombani, Nicolò; Zechmeister-Boltenstern, Sophie; Coltorti, Massimo; Mastrocicco, Micòl

    2017-04-01

    Natural zeolite-bearing rocks (zeolitites) are known to be a suitable material for agricultural purposes by improving soil physicochemical properties and nitrogen use efficiency (NUE). However, little is known about their effects on soil microbial biomass. Aim of this work is to evaluate short-term effects of different chabazite-zeolitite amendments on soil microbial biomass (and activity). To this purpose a silty-clay agricultural soil was amended in three different ways, by the addition of 5 and 15 wt% of natural chabazite zeolitites (NZ) and 10 wt% of NH4+-enriched chabazite zeolitites (CZ). Soil pH, water content, dissolved organic carbon (C), total dissolved N, NH4+, NO3-, NO2-, microbial biomass C and N and ergosterol were periodically measured over a time course of 16 days in a laboratory incubation experiment. In order to verify the immobilization of N derived from CZ into microbial biomass, the δ15N signature of microorganisms was evaluated by the Extraction-Fumigation-Extraction method followed by EA-IRMS analysis. This latter investigation was possible because zeolitites were enriched with NH4+ derived from pig-slurry, which have a very high 15N natural abundance that allow to trace microbial incorporation. Soil amended with 5 wt% of NZ showed increased ergosterol content as well as microbial C/N ratio starting from day 9 of incubation, suggesting that fungal biomass was probably favored, although the same behavior was not found in the soil amended with 15 wt% of the same material. On the other hand, the NH4+-enriched CZ showed strong interactions with soil microbial biomass N. Isotopic measurements supported microbial assimilation of the N introduced with CZ since the second day of incubation. The high dissolved organic C and microbial biomass N suggested an increase of mineralization and immobilization processes. In addition, in CZ amended soil, microbial biomass N was related to NO3- production over time and inversely related to NH4+, suggesting high

  12. Monovalent Cation Doping of CH3NH3PbI3 for Efficient Perovskite Solar Cells.

    Science.gov (United States)

    Abdi-Jalebi, Mojtaba; Dar, M Ibrahim; Sadhanala, Aditya; Senanayak, Satyaprasad P; Grätzel, Michael; Friend, Richard H

    2017-03-19

    Here, we demonstrate the incorporation of monovalent cation additives into CH3NH3PbI3 perovskite in order to adjust the optical, excitonic, and electrical properties. The possibility of doping was investigated by adding monovalent cation halides with similar ionic radii to Pb(2+), including Cu(+), Na(+), and Ag(+). A shift in the Fermi level and a remarkable decrease of sub-bandgap optical absorption, along with a lower energetic disorder in the perovskite, was achieved. An order-of-magnitude enhancement in the bulk hole mobility and a significant reduction of transport activation energy within an additive-based perovskite device was attained. The confluence of the aforementioned improved properties in the presence of these cations led to an enhancement in the photovoltaic parameters of the perovskite solar cell. An increase of 70 mV in open circuit voltage for AgI and a 2 mA/cm(2) improvement in photocurrent density for NaI- and CuBr-based solar cells were achieved compared to the pristine device. Our work paves the way for further improvements in the optoelectronic quality of CH3NH3PbI3 perovskite and subsequent devices. It highlights a new avenue for investigations on the role of dopant impurities in crystallization and controls the electronic defect density in perovskite structures.

  13. Rotational spectrum of the NH3–He van der Waals complex

    Directory of Open Access Journals (Sweden)

    Surin L.

    2017-01-01

    Full Text Available The interaction between ammonia and helium has attracted considerable interest over many years, partly because of the observation of interstellar ammonia. The rate coefficients of NH3–He scattering are an important ingredient for numerical modeling of astrochemical environments. Another, though quite different application in which the NH3–He interaction can play an important role is the doping of helium clusters with NH3 molecules to perform high-resolution spectroscopy. Such experiments are directed on the detection of non-classical response of molecular rotation in helium clusters addressing fundamental questions related to the microscopic nature of superfluidity. High-resolution spectroscopy on the NH3–He complex is an important tool for increasing our understanding of intermolecular forces between NH3 and He.

  14. INITIAL ATMOSPHERIC CORROSION OF ZINC IN THE PRESENCE OF NH4Cl

    Institute of Scientific and Technical Information of China (English)

    Q.Qu; C.W.Yan; L.Li; L.Zhang; G.H.Liu; C.N.Cao

    2004-01-01

    Influence of NH4 Cl on the initial atmospheric corrosion of zinc was investigated via quartz crystal microbalance(QCM)in laboratory at 80%RH and 25℃.The results show that NH4 Cl can accelerate the initial corrosion of zinc.Mass gain increase with the exposure time,but mass gain in the later doesn't change obviously due to the formation of the insoluble simonkolleite on zinc surface in the presence of NH4 Cl.Fourier transform infrared spectroscopy(FTIR)and X-ray diffraction(XRD)was used to characterize the corrosion products.Zn5 Cl2(OH)s.H2 O,(NH4)2ZnCl4 and ZnO are the corrosion products on zinc.Brief discussion on the mechanisms of atmospheric corrosion of zinc in the presence of NH4 Cl was introduced.

  15. NMR Spectroscopic Characterization of Methylcobalt(III) Compounds with Classical Ligands. Crystal Structures of [Co(NH(3))(5)(CH(3))]S(2)O(6), trans-[Co(en)(2)(NH(3))(CH(3))]S(2)O(6) (en = 1,2-Ethanediamine), and [Co(NH(3))(6)]-mer,trans-[Co(NO(2))(3)(NH(

    DEFF Research Database (Denmark)

    Kofod, Pauli; Harris, Pernille; Larsen, Sine

    1997-01-01

    magnetic resonance spectroscopy and by absorption spectroscopy. Single-crystal X-ray structure determinations at 122.0(5) K were performed on [Co(NH(3))(5)(CH(3))]S(2)O(6) (1), trans-[Co(en)(2)(NH(3))(CH(3))]S(2)O(6) (2), and [Co(NH(3))(6)]-mer,trans-[Co(NO(2))(3)(NH(3))(2)(CH(3))](2)-trans-[Co(NO(2...... to the trans ligand is 0.170 Å in the trans-[Co(en)(2)(NH(3))(CH(3))](2+) cation. The structural trans influence appears to decrease with the overall charge of the coordination compound. Estimates of the scalar one-bond cobalt-carbon coupling constants, (1)J(Co)(-)(C), in the pentacyanomethylcobalt(III) anion...

  16. Rotational spectrum of the NH3-He van der Waals complex

    Science.gov (United States)

    Surin, L.; Schnell, M.

    2016-12-01

    The interaction between ammonia and helium has attracted considerable interest over many years, partly because of the observation of interstellar ammonia. The rate coefficients of NH3-He scattering are an important ingredient for numerical modeling of astrochemical environments. Another, though quite different application in which the NH3-He interaction can play an important role is the doping of helium clusters with NH3 molecules to perform high-resolution spectroscopy. Such experiments are directed on the detection of non-classical response of molecular rotation in helium clusters addressing fundamental questions related to the microscopic nature of superfluidity. High-resolution spectroscopy on the NH3-He complex is an important tool for increasing our understanding of intermolecular forces between NH3 and He.

  17. NH4+-stimulated and -inhibited components of K+ transport in rice (Oryza sativa L.)

    Science.gov (United States)

    Szczerba, Mark W.; Britto, Dev T.; Ali, Shabana A.; Balkos, Konstantine D.; Kronzucker, Herbert J.

    2008-01-01

    The disruption of K+ transport and accumulation is symptomatic of NH4+ toxicity in plants. In this study, the influence of K+ supply (0.02–40 mM) and nitrogen source (10 mM NH4+ or NO3–) on root plasma membrane K+ fluxes and cytosolic K+ pools, plant growth, and whole-plant K+ distribution in the NH4+-tolerant plant species rice (Oryza sativa L.) was examined. Using the radiotracer 42K+, tissue mineral analysis, and growth data, it is shown that rice is affected by NH4+ toxicity under high-affinity K+ transport conditions. Substantial recovery of growth was seen as [K+]ext was increased from 0.02 mM to 0.1 mM, and, at 1.5 mM, growth was superior on NH4+. Growth recovery at these concentrations was accompanied by greater influx of K+ into root cells, translocation of K+ to the shoot, and tissue K+. Elevating the K+ supply also resulted in a significant reduction of NH4+ influx, as measured by 13N radiotracing. In the low-affinity K+ transport range, NH4+ stimulated K+ influx relative to NO3– controls. It is concluded that rice, despite its well-known tolerance to NH4+, nevertheless displays considerable growth suppression and disruption of K+ homeostasis under this N regime at low [K+]ext, but displays efficient recovery from NH4+ inhibition, and indeed a stimulation of K+ acquisition, when [K+]ext is increased in the presence of NH4+. PMID:18653690

  18. Effect of Potassium and C/N Ratios on Conversion of NH+4 in Soils

    Institute of Scientific and Technical Information of China (English)

    TANG Yan; WANG Xiao-Zhi; ZHAO Hai-Tao; FENG Ke

    2008-01-01

    Two soils, one consisting of 1:1 clay minerals at pH 4.5 and the other containing 2:1 clay minerals at pH 7.0, were used to estimate the conversion of added NH+4 under different C/N ratios (glucose as the C source) and the addition of potassium. Under lower C/N ratios (0:1 and 5:1), a large part of the added NH+4 in the acid soil was held in the forms of either exchangeable or water soluble NH+4 for a relatively long time and under higher C/N ratio (50:1), a large amount of the added NH+4 was directly immobilized by microorganisms. In the second soil containing appreciable 2:1 type clay minerals a large part of the added NH+4 at first quickly entered the interlayer of the minerals under both lower and higher C/N ratios. In second condition, however, owing to microbial assimilation stimulated by glucose the newly fixed NH+4 could be completely released in further incubation because of a large concentration gradicnt between external NH+4 and fixed NH+4 in the mineral interlayer caused by heterotrophic microorganisms, which imply the fixed NH+4 to be available to plants. The results also showed that if a large amount of K+ with carbon source together was added to soil, the higher K+ concentration of soil solution could impede the release of fixed NH+4, even if there was a lot of carbon source.

  19. The Coach Is in: Improving Nutritional Care in Nursing Homes

    Science.gov (United States)

    Rahman, Anna N.; Simmons, Sandra F.; Applebaum, Robert; Lindabury, Kate; Schnelle, John F.

    2012-01-01

    Purpose: This article describes and evaluates a long distance coaching course aimed at improving nutritional care in nursing homes (NHs). The course was structured to provide more support than traditional training programs offer. Methods: In a series of 6 monthly teleconferences led by an expert in NH nutritional care, participating NH staff…

  20. Promotional Effect of Ce on Iron-Based Catalysts for Selective Catalytic Reduction of NO with NH3

    Directory of Open Access Journals (Sweden)

    Xiaobo Wang

    2016-07-01

    Full Text Available A series of Fe–Ce–Ti catalysts were prepared via co-precipitation method to investigate the effect of doping Ce into Fe–Ti catalysts for selective catalytic reduction of NO with NH3. The NO conversion over Fe–Ce–Ti catalysts was considerably improved after Ce doping compared to that of Fe–Ti catalysts. The Fe(0.2–Ce(0.4–Ti catalysts exhibited superior catalytic activity to that of Fe(0.2–Ti catalysts. The obtained catalysts were characterized by N2 adsorption (BET, X-ray diffraction (XRD, temperature programmed reduction (H2-TPR, temperature programmed desorption (NH3-TPD, Fourier transform infrared (FT-IR spectrophotometry, thermogravimetric analysis (TGA, and X-ray photoelectron spectroscopy (XPS. The data showed that the introduction of Ce results in higher surface area and better dispersion of active components on the catalyst surface and enhances the amount of surface acid sites. The interactions between Fe and Ce species were found to improve the redox ability of the catalyst, which promotes catalytic performance at low temperature. The XPS results revealed that Fe3+/Fe2+ and Ce4+/Ce3+ coexisted on the catalyst surface and that Ti was in 4+ oxidation state on catalyst surface. Ce doping increased the atomic ratio of Fe/Ti and Ce/Ti and enhanced the surface adsorbed oxygen species. In addition, Fe(0.2–Ce(0.4–Ti catalyst also showed better tolerance to H2O and SO2 and up to 92% NO conversion at 270 °C with 200 ppm SO2 added over 25 h, which suggests that it is a promising industrial catalyst for mid-low temperature NH3–selective catalytic reduction (SCR reaction.

  1. Comprehension of Postmetallization Annealed MOCVD-TiO2 on (NH42S Treated III-V Semiconductors

    Directory of Open Access Journals (Sweden)

    Ming-Kwei Lee

    2012-01-01

    Full Text Available The electrical characteristics of TiO2 films grown on III-V semiconductors (e.g., p-type InP and GaAs by metal-organic chemical vapor deposition were studied. With (NH42S treatment, the electrical characteristics of MOS capacitors are improved due to the reduction of native oxides. The electrical characteristics can be further improved by the postmetallization annealing, which causes hydrogen atomic ion to passivate defects and the grain boundary of polycrystalline TiO2 films. For postmetallization annealed TiO2 on (NH42S treated InP MOS, the leakage current densities can reach 2.7 × 10−7 and 2.3 × 10−7 A/cm2 at ±1 MV/cm, respectively. The dielectric constant and effective oxide charges are 46 and 1.96 × 1012 C/cm2, respectively. The interface state density is 7.13×1011 cm−2 eV−1 at the energy of 0.67 eV from the edge of valence band. For postmetallization annealed TiO2 on (NH42S treated GaAs MOS, The leakage current densities can reach 9.7×10−8 and 1.4×10−7 at ±1 MV/cm, respectively. The dielectric constant and effective oxide charges are 66 and 1.86×1012 C/cm2, respectively. The interface state density is 5.96×1011 cm−2 eV−1 at the energy of 0.7 eV from the edge of valence band.

  2. Removing Gaseous NH3 Using Biochar as an Adsorbent

    Directory of Open Access Journals (Sweden)

    Kyoung S. Ro

    2015-09-01

    Full Text Available Ammonia is a major fugitive gas emitted from livestock operations and fertilization production. This study tested the potential of various biochars in removing gaseous ammonia via adsorption processes. Gaseous ammonia adsorption capacities of various biochars made from wood shaving and chicken litter with different thermal conditions and activation techniques were determined using laboratory adsorption column tests. Ammonia adsorption capacities of non-activated biochars ranged from 0.15 to 5.09 mg·N/g, which were comparable to that of other commercial activated carbon and natural zeolite. There were no significant differences in ammonia adsorption capacities of steam activated and non-activated biochars even if the surface areas of the steam activated biochars were about two orders of magnitude greater than that of non-activated biochars. In contrast, phosphoric acid activation greatly increased the biochar ammonia adsorption capacity. This suggests that the surface area of biochar did not readily control gaseous NH3 adsorption. Ammonia adsorption capacities were more or less linearly increased with acidic oxygen surface groups of non-activated and steam-activated biochars. Phosphoric acid bound to the acid activated biochars is suspected to contribute to the exceptionally high ammonia adsorption capacity. The sorption capacities of virgin and water-washed biochar samples were not different, suggesting the potential to regenerate spent biochar simply with water instead of energy- and capital-intensive steam. The results of this study suggest that non-activated biochars can successfully replace commercial activated carbon in removing gaseous ammonia and the removal efficiency will greatly increase if the biochars are activated with phosphoric acid.

  3. Synthesis of 15N-enriched urea (CO(15NH22 from 15NH3, CO, and S in a discontinuous process

    Directory of Open Access Journals (Sweden)

    C. R. Sant Ana Filho

    2012-12-01

    Full Text Available CO(15NH22 enriched with the stable isotope 15N was synthesized based on a reaction involving CO, 15NH3, and S in the presence of CH3OH. The method differs from the industrial method; a stainless steel reactor internally lined with polytetrafluoroethylene (PTFE was used in a discontinuous process under low pressure and temperature. The yield of the synthesis was evaluated as a function of the parameters: the amount of reagents, reaction time, addition of H2S, liquid solution and reaction temperature. The results showed that under optimum conditions (1.36, 4.01, and 4.48 g of 15NH3, CO, and S, respectively, 40 ml CH3OH, 40 mg H2S, 100 ºC and 120 min of reaction 1.82 g (yield 76.5% of the compound was obtained per batch. The synthesized CO(15NH22 contained 46.2% N, 0.55% biuret, melting point of 132.55 ºC and did not exhibit isotopic fractionation. The production cost of CO(15NH22 with 90.0 at. % 15N was US$ 238.60 per gram.

  4. Thermal decomposition of NH2OH and subsequent reactions: ab initio transition state theory and reflected shock tube experiments.

    Science.gov (United States)

    Klippenstein, S J; Harding, L B; Ruscic, B; Sivaramakrishnan, R; Srinivasan, N K; Su, M-C; Michael, J V

    2009-09-24

    Primary and secondary reactions involved in the thermal decomposition of NH2OH are studied with a combination of shock tube experiments and transition state theory based theoretical kinetics. This coupled theory and experiment study demonstrates the utility of NH2OH as a high temperature source of OH radicals. The reflected shock technique is employed in the determination of OH radical time profiles via multipass electronic absorption spectrometry. O-atoms are searched for with atomic resonance absorption spectrometry. The experiments provide a direct measurement of the rate coefficient, k1, for the thermal decomposition of NH2OH. Secondary rate measurements are obtained for the NH2 + OH (5a) and NH2OH + OH (6a) abstraction reactions. The experimental data are obtained for temperatures in the range from 1355 to 1889 K and are well represented by the respective rate expressions: log[k/(cm3 molecule(-1) s(-1))] = (-10.12 +/- 0.20) + (-6793 +/- 317 K/T) (k1); log[k/(cm3 molecule(-1) s(-1))] = (-10.00 +/- 0.06) + (-879 +/- 101 K/T) (k5a); log[k/(cm3 molecule(-1) s(-1))] = (-9.75 +/- 0.08) + (-1248 +/- 123 K/T) (k6a). Theoretical predictions are made for these rate coefficients as well for the reactions of NH2OH + NH2, NH2OH + NH, NH + OH, NH2 + NH2, NH2 + NH, and NH + NH, each of which could be of secondary importance in NH2OH thermal decomposition. The theoretical analyses employ a combination of ab initio transition state theory and master equation simulations. Comparisons between theory and experiment are made where possible. Modest adjustments of predicted barrier heights (i.e., by 2 kcal/mol or less) generally yield good agreement between theory and experiment. The rate coefficients obtained here should be of utility in modeling NOx in various combustion environments.

  5. In situ supported MnO(x)-CeO(x) on carbon nanotubes for the low-temperature selective catalytic reduction of NO with NH3.

    Science.gov (United States)

    Zhang, Dengsong; Zhang, Lei; Shi, Liyi; Fang, Cheng; Li, Hongrui; Gao, Ruihua; Huang, Lei; Zhang, Jianping

    2013-02-07

    The MnO(x) and CeO(x) were in situ supported on carbon nanotubes (CNTs) by a poly(sodium 4-styrenesulfonate) assisted reflux route for the low-temperature selective catalytic reduction (SCR) of NO with NH(3). X-Ray diffraction (XRD), transmission electron microscopy (TEM), high-resolution TEM (HRTEM), X-ray photoelectron spectroscopy (XPS), H(2) temperature-programmed reduction (H(2)-TPR) and NH(3) temperature-programmed desorption (NH(3)-TPD) have been used to elucidate the structure and surface properties of the obtained catalysts. It was found that the in situ prepared catalyst exhibited the highest activity and the most extensive operating-temperature window, compared to the catalysts prepared by impregnation or mechanically mixed methods. The XRD and TEM results indicated that the manganese oxide and cerium oxide species had a good dispersion on the CNT surface. The XPS results demonstrated that the higher atomic concentration of Mn existed on the surface of CNTs and the more chemisorbed oxygen species exist. The H(2)-TPR results suggested that there was a strong interaction between the manganese oxide and cerium oxide on the surface of CNTs. The NH(3)-TPD results demonstrated that the catalysts presented a larger acid amount and stronger acid strength. In addition, the obtained catalysts exhibited much higher SO(2)-tolerance and improved the water-resistance as compared to that prepared by impregnation or mechanically mixed methods.

  6. Effects of (NH{sub 4}){sub 2}SO{sub 4} and BTA on the nanostructure of copper foam prepared by electrodeposition

    Energy Technology Data Exchange (ETDEWEB)

    Nam, Do Hwan; Kim, Ryoung Hee; Han, Dong Wook; Kim, Jeong Han [Department of Materials Science and Engineering, Korea Advanced Institute of Science and Technology, 335 Gwahangno, Yuseong-gu, Daejeon (Korea, Republic of); Kwon, Hyuk Sang, E-mail: hskwon@kaist.ac.kr [Department of Materials Science and Engineering, Korea Advanced Institute of Science and Technology, 335 Gwahangno, Yuseong-gu, Daejeon (Korea, Republic of)

    2011-10-30

    Copper foam with dendritic copper nanostructure was synthesized by an electrodeposition process using hydrogen bubbles as dynamic templates. To modify the morphology of the copper nanostructure in the foam walls, (NH{sub 4}){sub 2}SO{sub 4} and BTA (benzotriazole) were introduced into the electrolytic bath as chemical additives, and their influences on the morphologies and the structural characteristics of copper deposits were examined by scanning electron microscopy (SEM) and transmission electron microscopy (TEM). The mechanical strength and stiffness of the copper foam were evaluated by the compression test. The corncob-like deposits of the copper foam were changed to needle-like nanodendrites by the addition of (NH{sub 4}){sub 2}SO{sub 4}, which significantly improved the mechanical strength and stiffness due to the self-supporting effects of the tightly interlocked needle-like nanodendrites. In contrast, the copper foam prepared from the solution with (NH{sub 4}){sub 2}SO{sub 4} and BTA shows high ductility but low mechanical strength due to the formation to grape-like copper deposits. Both the copper foams exhibited higher mechanical properties than the one with corncob-like deposits formed in the additive-free solution. The reaction mechanism of (NH{sub 4}){sub 2}SO{sub 4} and BTA on the nanostructure of the copper foam at high cathodic current density was clarified by analyzing the effects of the additives on the copper deposition reaction and hydrogen gas evolution reaction, respectively.

  7. Nonstoichiometric acid-base reaction as reliable synthetic route to highly stable CH3NH3PbI3 perovskite film

    Science.gov (United States)

    Long, Mingzhu; Zhang, Tiankai; Chai, Yang; Ng, Chun-Fai; Mak, Thomas C. W.; Xu, Jianbin; Yan, Keyou

    2016-11-01

    Perovskite solar cells have received worldwide interests due to swiftly improved efficiency but the poor stability of the perovskite component hampers the device fabrication under normal condition. Herein, we develop a reliable nonstoichiometric acid-base reaction route to stable perovskite films by intermediate chemistry and technology. Perovskite thin-film prepared by nonstoichiometric acid-base reaction route is stable for two months with negligible PbI2-impurity under ~65% humidity, whereas other perovskites prepared by traditional methods degrade distinctly after 2 weeks. Route optimization involves the reaction of PbI2 with excess HI to generate HPbI3, which subsequently undergoes reaction with excess CH3NH2 to deliver CH3NH3PbI3 thin films. High quality of intermediate HPbI3 and CH3NH2 abundance are two important factors to stable CH3NH3PbI3 perovskite. Excess volatile acid/base not only affords full conversion in nonstoichiometric acid-base reaction route but also permits its facile removal for stoichiometric purification, resulting in average efficiency of 16.1% in forward/reverse scans.

  8. WO3/CeO2/TiO2 Catalysts for Selective Catalytic Reduction of NO(x) by NH3: Effect of the Synthesis Method.

    Science.gov (United States)

    Michalow-Mauke, Katarzyna A; Lu, Ye; Ferri, Davide; Graule, Thomas; Kowalski, Kazimierz; Elsener, Martin; Kröcher, Oliver

    2015-01-01

    WO3/CeO2/TiO2, CeO2/TiO2 and WO3/TiO2 catalysts were prepared by wet impregnation. CeO2/TiO2 and WO3/TiO2 showed activity towards the selective catalytic reduction (SCR) of NO(x) by NH3, which was significantly improved by subsequent impregnation of CeO/TiO2 with WO3. Catalytic performance, NH3 oxidation and NH3 temperature programmed desorption of wet-impregnated WO3/CeO2/TiO2 were compared to those of a flame-made counterpart. The flame-made catalyst exhibits a peculiar arrangement of W-Ce-Ti-oxides that makes it very active for NH3-SCR. Catalysts prepared by wet impregnation with the aim to mimic the structure of the flame-made catalyst were not able to fully reproduce its activity. The differences in the catalytic performance between the investigated catalysts were related to their structural properties and the different interaction of the catalyst components.

  9. Dynamics and fragmentation of van der Waals and hydrogen bonded cluster cations: (NH3)n and (NH3BH3)n ionized at 10.51 eV

    Science.gov (United States)

    Yuan, Bing; Shin, Joong-Won; Bernstein, Elliot R.

    2016-04-01

    A 118 nm laser is employed as a high energy, single photon (10.51 eV/photon) source for study of the dynamics and fragmentation of the ammonia borane (NH3BH3) cation and its cluster ions through time of flight mass spectrometry. The behavior of ammonia ion and its cluster ions is also investigated under identical conditions in order to explicate the ammonia borane results. Charge distributions, molecular orbitals, and spin densities for (NH3BH3)n and its cations are explored at both the second-order perturbation theory (MP2) and complete active space self-consistent field (CASSCF) theory levels. Initial dissociation mechanisms and potential energy surfaces for ionized NH3BH3, NH3, and their clusters are calculated at the MP2/6-311++G(d,p) level. Protonated clusters (NH3)xH+ dominate ammonia cluster mass spectra: our calculations show that formation of (NH3)n-1H+ and NH2 from the nascent (NH3)n+ has the lowest energy barrier for the system. The only common features for the (NH3)n+ and (NH3BH3)n+ mass spectra under these conditions are found to be NHy+ (y = 0,…,4) at m/z = 14-18. Molecular ions with both 11B and 10B isotopes are observed, and therefore, product ions observed for the (NH3BH3)n cluster system derive from (NH3BH3)n clusters themselves, not from the NH3 moiety of NH3BH3 alone. NH3BH2+ is the most abundant ionization product in the (NH3BH3)n+ cluster spectra: calculations support that for NH3BH3+, an H atom is lost from the BH3 moiety with an energy barrier of 0.67 eV. For (NH3BH3)2+ and (NH3BH3)3+ clusters, a Bδ+⋯Hδ-⋯δ-H⋯δ+B bond can form in the respective cluster ions, generating a lower energy, more stable ion structure. The first step in the (NH3BH3)n+ (n = 2, 3) dissociation is the breaking of the Bδ+⋯Hδ-⋯δ-H⋯δ+B moiety, leading to the subsequent release of H2 from the latter cluster ion. The overall reaction mechanisms calculated are best represented and understood employing a CASSCF natural bond orbital

  10. Perovskite CH3NH3PbI3 crystals and films. Synthesis and characterization

    Science.gov (United States)

    Semenova, O. I.; Yudanova, E. S.; Yeryukov, N. A.; Zhivodkov, Y. A.; Shamirzaev, T. S.; Maximovskiy, E. A.; Gromilov, S. A.; Troitskaia, I. B.

    2017-03-01

    Synthesis of organometal halide perovskite CH3NH3PbI3 has received much attention recently because of promising photosensitive properties usable for solid state solar cell (SSSC). Here the crystals of tetragonal phase (I4/mcm, a =8.8743 Å, c =12.6708 Å) of CH3NH3PbI3 were prepared. Formation of the CH3NH3PbI3 crystals was controlled by the SEM, EDS, XRD and Raman spectroscopy. Optical characteristics of the crystals were obtained using PL spectrometry and spectral ellipsometry methods. PL spectra of orthorhombic phase of CH3NH3PbI3 crystals were recorded the first time. Taking into account the practice use, the CH3NH3PbI3 films are obtained via the sol-gel method with ;spin-on; coating of CH3NH3PbI3 sol. The films are 500 nm in thickness and exhibit an openwork structure. Such a structure is optimal for SSSC construction because it increases the surface contact area between CH3NH3PbI3 and p-conductor.

  11. Theoretical study on the mechanism of CH3NH2 and O3 atmospheric reaction

    Indian Academy of Sciences (India)

    Samira Valehi; Morteza Vahedpour

    2014-07-01

    Reaction pathways of methylamine with ozone on the singlet potential energy profile have been investigated at the RB3LYP/6-311++G (3df-3pd) computational level. Calculated results reveal that six kinds of products P1 (CH3NO + H2O2), P2 (CH3NH + OH + O2), P3 (NH2CH + HO2+ OH), P4 (CH2NH + H2O +O2), P5 (NH2CH2OH + O2), P6 (NH3+ CH2O +O2) are obtained through variety of transformation of one reactant complex C1. Cleavage and formation of the chemical bonds in the reaction pathways have been discussed using the structural parameters. Based on the calculations, the title reaction leads to NH3+ CH2O + O2 as thermodynamic adducts in an exothermic process by −76.28 kcal/mol in heat realizing and spontaneous reaction by −86.71 kcal/mol in standard Gibbs free energy. From a kinetic viewpoint, the production of CH3NH + OH + O2 adducts with one transition state is the most favoured path.

  12. Penggunaan zeolit alam untuk mengurangi kandungan krom dan nh4+ dalam air limbah penyamakan kulit

    Directory of Open Access Journals (Sweden)

    Supraptiningsih Supraptiningsih

    2006-07-01

    Full Text Available Leather tanning waste water contains chemical compounds, such as chromium and NH4+ in high concentration, so if they are thrown away without treatment they will make some problems. The aims of this research is to adsorb the cations in leather tanning waste water i.e chromium and NH4+ used natural zeolite as an adsorbent. Research was done by comparing amount of chromium and NH4+ in effluent waste water treatment unit with amount of chromium and NH4+ after being adsorbed by zeolite in a batch system. The result of this research showed that efficiency difference between using zeolite and waste water treatment unit was significant. The optimal condition to reduce chromium and NH4+ was by using 300 grams per liter waste, zeolite particle size was 50-60 mesh, contact time was 24 hours and pH 8±0,1. In this condition, zeolites could reduce chromium from 3728,56mg/l to 365,39 mg/l or 90,20%, and NH4+ from 3040,02 mg/l menjadi 209,76 mg/l or 93,10%. Waste water treatment unit could reduce chromium 63,55% and NH4+ 56,75%.

  13. Synthesis of tetrapeptide Bz-RGDS-NH2 by a combination of chemical and enzymatic methods.

    Science.gov (United States)

    Huang, Yi-Bing; Cai, Yu; Yang, Sen; Wang, Hua; Hou, Rui-Zhen; Xu, Li; Xiao-Xia, Wu; Zhang, Xue-Zhong

    2006-09-18

    The tetrapeptide Bz-Arg-Gly-Asp-Ser-NH(2) (Bz-RGDS-NH(2)) was successfully synthesized by a combination of chemical and enzymatic methods in this study. Firstly, the precursor tripeptide Gly-Asp-Ser-NH(2) (GDS-NH(2)) was synthesized by a novel chemical method in four steps including chloroacetylation of l-aspartic acid, synthesis of chloroacetyl l-aspartic acid anhydride, the synthesis of ClCH(2)COAsp-SerOMe and ammonolysis of ClCH(2)COAsp-SerOMe. Secondly, lipase (PPL) was used to catalyze the formation of Bz-RGDS-NH(2) in aqueous water-miscible organic cosolvent systems using Bz-Arg-OEt as the acyl donor and GDS-NH(2) as the nucleophile. The optimum conditions were Bz-Arg-OEt 50 mM; GDS-NH(2) 400 mM; 10 degrees C, 0.1M phosphate buffer, pH 7.5; 60% DMF or 58% DMSO, PPL: 10 mg ml(-1) with the maximum yields of the tetrapeptide of 73.6% for DMF and 70.4% for DMSO, respectively. The secondary hydrolysis of the tetrapeptide product did not take place due to the absence of amidase activity of lipase.

  14. First synthesis and structural determination of a monomeric, unsolvated lithium amide, LiNH(2).

    Science.gov (United States)

    Grotjahn, D B; Sheridan, P M; Al Jihad, I; Ziurys, L M

    2001-06-13

    Alkali metal amides typically aggregate in solution and the solid phase, and even in the gas phase. In addition, even in the few known monomeric structures, the coordination number of the alkali metal is raised by binding of Lewis-basic solvent molecules, with concomitant changes in structure. In contrast, the simplest lithium amide LiNH(2) has never been made in a monomeric form, even though its structure has been theoretically predicted several times. Here, the first experimental structural data for a monomeric, unsolvated lithium amide are determined using a combination of gas-phase synthesis and millimeter/submillimeter-wave spectroscopy. All data point to a planar structure for LiNH(2). The r(o) structure of LiNH(2) has a Li-N distance of 1.736(3) A, an N-H distance of 1.022(3) A, and a H-N-H angle of 106.9(1) degrees. These results are compared with theoretical predictions for LiNH(2), and experimental data for oligomeric, solid-phase samples, which could not resolve the question of whether LiNH(2) is planar or not. In addition, comparisons are made with revised gas-phase and solid-phase data and calculated structures of NaNH(2).

  15. Photosynthesis of Quercus suber is affected by atmospheric NH3 generated by multifunctional agrosystems.

    Science.gov (United States)

    Pintó-Marijuan, Marta; Da Silva, Anabela Bernardes; Flexas, Jaume; Dias, Teresa; Zarrouk, Olfa; Martins-Loução, Maria Amélia; Chaves, Maria Manuela; Cruz, Cristina

    2013-12-01

    Montados are evergreen oak woodlands dominated by Quercus species, which are considered to be key to biodiversity conservation and ecosystem services. This ecosystem is often used for cattle breeding in most regions of the Iberian Peninsula, which causes plants to receive extra nitrogen as ammonia (NH(3)) through the atmosphere. The effect of this atmospheric NH(3) (NH(3atm)) on ecosystems is still under discussion. This study aimed to evaluate the effects of an NH(3atm) concentration gradient downwind of a cattle barn in a Montado area. Leaves from the selected Quercus suber L. trees along the gradient showed a clear influence of the NH(3) on δ(13)C, as a consequence of a strong limitation on the photosynthetic machinery by a reduction of both stomatal and mesophyll conductance. A detailed study of the impact of NH(3atm) on the photosynthetic performance of Q. suber trees is presented, and new mechanisms by which NH(3) affects photosynthesis at the leaf level are suggested.

  16. Towards validation of ammonia (NH3 measurements from the IASI satellite

    Directory of Open Access Journals (Sweden)

    M. Van Damme

    2014-12-01

    Full Text Available Limited availability of ammonia (NH3 observations is currently a barrier for effective monitoring of the nitrogen cycle. It prevents a full understanding of the atmospheric processes in which this trace gas is involved and therefore impedes determining its related budgets. Since the end of 2007, the Infrared Atmospheric Sounding Interferometer (IASI satellite has been observing NH3 from space at a high spatiotemporal resolution. This valuable data set, already used by models, still needs validation. We present here a first attempt to validate IASI-NH3 measurements using existing independent ground-based and airborne data sets. The yearly distributions reveal similar patterns between ground-based and space-borne observations and highlight the scarcity of local NH3 measurements as well as their spatial heterogeneity and lack of representativity. By comparison with monthly resolved data sets in Europe, China and Africa, we show that IASI-NH3 observations are in fair agreement but that they are characterized by a smaller variation in concentrations. The use of hourly and airborne data sets to compare with IASI individual observations allows to investigate the impact of averaging as well as the representativity of independent observations for the satellite footprint. The importance of considering the latter and the added value of densely located airborne measurements at various altitudes to validate IASI-NH3 columns are discussed. Perspectives and guidelines for future validation work on NH3 satellite observations are presented.

  17. In Situ Spectroscopic Studies of Proton Transport in Zeolite Catalysts for NH3-SCR

    Directory of Open Access Journals (Sweden)

    Peirong Chen

    2016-12-01

    Full Text Available Proton transport is an elementary process in the selective catalytic reduction of nitrogen oxides by ammonia (DeNOx by NH3-SCR using metal-exchanged zeolites as catalysts. This review summarizes recent advancements in the study of proton transport in zeolite catalysts using in situ electrical impedance spectroscopy (IS under NH3-SCR reaction conditions. Different factors, such as the metal cation type, metal exchange level, zeolite framework type, or formation of intermediates, were found to influence the proton transport properties of zeolite NH3-SCR catalysts. A combination of IS with diffuse reflection infrared Fourier transformation spectroscopy in situ (in situ IS-DRIFTS allowed to achieve a molecular understanding of the proton transport processes. Several mechanistic aspects, such as the NH3-zeolite interaction, NO-zeolite interaction in the presence of adsorbed NH3, or formation of NH4+ intermediates, have been revealed. These achievements indicate that IS-based in situ methods as complementary tools for conventional techniques (e.g., in situ X-ray absorption spectroscopy are able to provide new perspectives for the understanding of NH3-SCR on zeolite catalysts.

  18. Structural Evolution under Reaction Conditions of Supported (NH43HPMo11VO40 Catalysts for the Selective Oxidation of Isobutane

    Directory of Open Access Journals (Sweden)

    Fangli Jing

    2015-03-01

    Full Text Available When using heteropolycompounds in the selective oxidation of isobutane to methacrolein and methacrylic acid, both the keeping of the primary structure (Keggin units and the presence of acidic sites are necessary to obtain the desired products. The structural evolution of supported (NH43HPMo11VO40 (APMV catalysts under preliminary thermal oxidizing and reducing treatments was investigated. Various techniques, such as TGA/DTG (Thermo-Gravimetric Analysis/Derivative Thermo-Gravimetry, H2-TPR (Temperature Programed Reduction, in situ XRD (X-Ray Diffraction and XPS (X-ray Photoelectron Spectroscopy, were applied. It was clearly evidenced that the thermal stability and the reducibility of the Keggin units are improved by supporting 40% APMV active phase on Cs3PMo12O40 (CPM. The partial degradation of APMV takes place depending on temperature and reaction conditions. The decomposition of ammonium cations (releasing NH3 leads to the formation of vacancies favoring cationic exchanges between vanadium coming from the active phase and cesium coming from the support. In addition, the vanadium expelled from the Keggin structure is further reduced to V4+, species, which contributes (with Mo5+ to activate isobutane. The increase in reducibility of the supported catalyst is assumed to improve the catalytic performance in comparison with those of unsupported APMV.

  19. Empirical and mechanistic evaluation of NH4(+) release kinetic in calcareous soils.

    Science.gov (United States)

    Ranjbar, F; Jalali, M

    2014-05-01

    Release, fixation, and distribution of ammonium (NH4(+)) as a source of nitrogen can play an important role in soil fertility and plant nutrition. In this study, ten surface soils, after addition of 1,000 mg NH4(+) kg(-1,) were incubated for 1 week at the field capacity moisture and 25 ± 2 °C temperature, and then NH4(+) release kinetic was investigated by sequential extractions with 10 mM CaCl2. Furthermore, NH4(+) distribution among three fractions, including water-soluble, exchangeable, and non-exchangeable, was determined in all soil samples. NH4(+) release was initially rapid followed by a slower reaction, and this was described well with the Elovich equation as an empirical model. The cumulative NH4(+) concentration released in spiked soil samples had a positive significant correlation with sand content and negative ones with pH, exchangeable Ca(2+)m and K(+), cation exchange capacity (CEC), equivalent calcium carbonate (ECC), and clay content. The cation exchange model in the PHREEQC program was successful in mechanistic simulation of the release trend of native and added NH4(+) in all control and spiked soil samples. The results of fractionation experiments showed that the non-exchangeable fraction in control and spiked soil samples was greater than that in water-soluble and exchangeable fractions. Soil properties, such as pH, exchangeable Ca(2+) and K(+), CEC, ECC, and contents of sand and clay, had significant influences on the distribution of NH4(+) among three measured fractions. This study indicated that both native and recently fixed NH4(+), added to soil through the application of fertilizers, were readily available for plant roots during 1 week after exposure.

  20. Validation of NH3 satellite observations by ground-based FTIR measurements

    Science.gov (United States)

    Dammers, Enrico; Palm, Mathias; Van Damme, Martin; Shephard, Mark; Cady-Pereira, Karen; Capps, Shannon; Clarisse, Lieven; Coheur, Pierre; Erisman, Jan Willem

    2016-04-01

    Global emissions of reactive nitrogen have been increasing to an unprecedented level due to human activities and are estimated to be a factor four larger than pre-industrial levels. Concentration levels of NOx are declining, but ammonia (NH3) levels are increasing around the globe. While NH3 at its current concentrations poses significant threats to the environment and human health, relatively little is known about the total budget and global distribution. Surface observations are sparse and mainly available for north-western Europe, the United States and China and are limited by the high costs and poor temporal and spatial resolution. Since the lifetime of atmospheric NH3 is short, on the order of hours to a few days, due to efficient deposition and fast conversion to particulate matter, the existing surface measurements are not sufficient to estimate global concentrations. Advanced space-based IR-sounders such as the Tropospheric Emission Spectrometer (TES), the Infrared Atmospheric Sounding Interferometer (IASI), and the Cross-track Infrared Sounder (CrIS) enable global observations of atmospheric NH3 that help overcome some of the limitations of surface observations. However, the satellite NH3 retrievals are complex requiring extensive validation. Presently there have only been a few dedicated satellite NH3 validation campaigns performed with limited spatial, vertical or temporal coverage. Recently a retrieval methodology was developed for ground-based Fourier Transform Infrared Spectroscopy (FTIR) instruments to obtain vertical concentration profiles of NH3. Here we show the applicability of retrieved columns from nine globally distributed stations with a range of NH3 pollution levels to validate satellite NH3 products.

  1. CN, NH2, and dust in the atmosphere of comet C/1999 J3 (LINEAR)

    Science.gov (United States)

    Korsun, P. P.; Jockers, K.

    2002-01-01

    Comet C/1999 J3 (LINEAR) was observed with 2 m telescope of the Pik Terskol Observatory on September 19, 1999. Narrow-band CCD images of the CN, NH2, and dust atmospheres were recorded with the Two-Channel focal reducer of the Max-Plank-Institute for Aeronomy. The distributions of the CN and NH2 molecules in the comet atmosphere were fitted with a Monte Carlo model. For the CN atmosphere the best agreement between observed and calculated surface profiles was reached with the CN photodissociation lifetime tau (CN)=1.5*E5 s and with the parent photodissociation lifetime tau (CNparent)=3.2*E4 s. This result indicates that HCN is the main source of the CN radicals in the atmosphere of comet C/1999 J3 (LINEAR). Regarding the NH2 radicals, there is no doubt that NH3 is the dominant source of this species in the comet atmosphere. The lifetimes tau (NH2)=1.0*E5 s for NH2 and tau (NH2 parent)=5.0*E3 s for its parent are close to theoretical calculations. The gas-production rates of CN, Q(CN)=3.8 *E25 mol s-1, and NH2, Q(NH2)=6.9*E25 mol s-1 have also been determined. The appearance of the comet and the obtained data show that the comet is a gaseous one. The Afrho values are 21.6 cm for the blue spectral window and 23.4 cm for the red one. The normalized spectral gradient of the cometary dust is low, 4.0% per 1000 Å. The ratio log((Afrho )443/Q(CN)) = -24.25 indicates a very low dust to gas ratio as well.

  2. Evaluation study of the suitability of instrumentation to measure ambient NH3 concentrations under field conditions

    Science.gov (United States)

    Twigg, Marsailidh

    2017-04-01

    The uncertainties in emissions of ammonia (NH3) in Europe are large, partially due to the difficulty in monitoring of ambient concentrations due to its sticky nature. In the European Monitoring and Evaluation Program (EMEP) the current recommended guidelines to measure NH3 are by coated annular denuders with offline analysis. This method, however, is no longer used in most European countries and each one has taken a different strategy to monitor atmospheric ammonia due to the increase of commercial NH3 monitoring instrumentation available over the last 20 years. In June 2014, a 3 year project funded under the European Metrology Research Programme, "Metrology for Ammonia in Ambient Air" (MetNH3), started with the aim to develop metrological traceability for the measurement of NH3 in air from primary gas mixtures and instrumental standards to field application. This study presents the results from the field intercomparison (15 instruments) which was held in South East Scotland in August 2016 over an intensively managed grassland. The study compared active sampling methods to a meteorological traceable method which was developed during the project with the aim to produce a series of guidelines for ambient NH3 measurements. Preliminary results highlight both the importance of inlets and management of relative humidity in the measurement of ambient NH3 and of the requirement to carry out frequent intercomparison of NH3 instrumentation. Overall, it would be recommended from this study that a WMO-GAW world centre for NH3 would be established and support integration of standards into both routine and research measurements.

  3. Study of various NH4+/NO3- mixtures for enhancing growth of potatoes

    Science.gov (United States)

    Cao, W.; Tibbitts, T. W.

    1993-01-01

    Two experiments were conducted to determine the effects of various NH4(+)-N/NO3(-)-N percentages on growth and mineral concentrations in potato (Solanum tuberosum L.) plants using a non-recirculating nutrient film system in a controlled environment. The first experiment included six NH4(+)-N/NO3(-)-N percentages at 0/100, 20/80, 40/60, 60/40, 80/20, and 100/0 with the same total N concentration of 4 mM. The second experiment included six NH4(+)-N/NO3(-)-N percentages at 0/100, 4/96, 8/92, 12/88, 16/84, and 20/80 again with the same total N of 4 mM. In each experiment, plants were harvested 35 days after transplanting when tubers had been initiated and started to enlarge. Dry weights of shoots, tubers, and whole plant at the harvest were increased significantly with all mixed nitrogen treatments as compared with single NH4+ or NO3- form. The enhanced growth with mixed nitrogen was greatest at 8% to 20% NH4(+)-N. Also, the concentrations and accumulation of total N in the shoots and roots were greater with mixed nitrogen than with separate NH4+ or NO3- nutrition. With NH4+ present in the solutions, the concentrations of P and Cl in the shoots were increased compared to NO3- alone, whereas the tissue concentrations of Ca and Mg were decreased. It was concluded that nitrogen fertilization provided with combined NH4+ and NO3- forms, even at small proportions of NH4+, can enhance nitrogen uptake and productivity in potato plants.

  4. Synthesis and Characterization of Layered Perovskite-type Organic-inorganic Hybrids (R-NH3)2(CH3NH3)Pb2I7

    Institute of Scientific and Technical Information of China (English)

    GUO Liling; SUN Zhang; ZHAO Guanghui; LI Xing; LIU Hanxing

    2012-01-01

    Layered organic-inorgamc hybrids containing bilayer perovsikte (R-NH3)2(CH3NH3)Pb2I7(where R=C12H25,C6H5C2H4) were synthesized by reactions in solution.The influences of the solvents and the reactant ratio on the structures of the products were investigated.The structures and the properties of the hybrids were characterized using X-ray diffraction (XRD) and ultraviolet and visible (UV) adsorption spectra.For comparing with the bilayer perovskite hybrids in structure and band gap magnitude,the hybrids containing monolayer perovskite (R-NH3)2PbI4 were also synthesized and characterized.The results demonstrate that the thickness of inorganic layer has obvious effect on the tunneling magnitude of the band gap but the organic part can be micro actuator of band gap.

  5. First in-situ detection of the cometary ammonium ion NH_4+ (protonated ammonia NH3) in the coma of 67P/C-G near perihelion

    Science.gov (United States)

    Beth, A.; Altwegg, K.; Balsiger, H.; Berthelier, J.-J.; Calmonte, U.; Combi, M. R.; De Keyser, J.; Dhooghe, F.; Fiethe, B.; Fuselier, S. A.; Galand, M.; Gasc, S.; Gombosi, T. I.; Hansen, K. C.; Hässig, M.; Héritier, K. L.; Kopp, E.; Le Roy, L.; Mandt, K. E.; Peroy, S.; Rubin, M.; Sémon, T.; Tzou, C.-Y.; Vigren, E.

    2017-01-01

    In this paper, we report the first in-situ detection of the ammonium ion NH_4+ at 67P/Churyumov-Gerasimenko (67P/C-G) in a cometary coma, using the Rosetta Orbiter Spectrometer for Ion and Neutral Analysis (ROSINA) / Double Focusing Mass Spectrometer (DFMS). Unlike neutral and ion spectrometers onboard previous cometary missions, the ROSINA/DFMS spectrometer, when operated in ion mode, offers the capability to distinguish NH_4+ from H2O+ in a cometary coma. We present here the ion data analysis of mass-to-charge ratios 18 and 19 at high spectral resolution and compare the results with an ionospheric model to put the these results into context. The model confirms that the ammonium ion NH_4+ is one of the most abundant ion species, as predicted, in the coma near perihelion.

  6. The electronic structure of organic-inorganic hybrid compounds : (NH4)(2)CuCl4, (CH3NH3)(2)CuCl4 and (C2H5NH3)(2)CuCl4

    NARCIS (Netherlands)

    Zolfaghari, P.; de Wijs, G. A.; de Groot, R. A.

    2013-01-01

    Hybrid organic-inorganic compounds are an intriguing class of materials that have been experimentally studied over the past few years because of a potential broad range of applications. The electronic and magnetic properties of three organic-inorganic hybrid compounds with compositions (NH4)(2)CuCl4

  7. The international research progress of Ammonia(NH3) emissions and emissions reduction technology in farmland ecosystem

    Science.gov (United States)

    Yang, W. Z.; Jiao, Y.

    2017-03-01

    NH3 is the important factor leading to the grey haze, and one of the main causes of environmental problems of serious ecological imbalance, such as acid rain and air quality deterioration. The fertilizer excessive application of the current farmland results NH3 emissions intensity greatly. In order to clear the farmland NH3 emissions research status and achievements, the literature of farmland NH3 emission related were retrievaled by the SCI journals and Chinese science citation database. Some factors of NH3 emission were analyzed such as soil factors, climate factors and farmland management measures. The research progress was inductived on farmland NH3 emission reduction technology. The results will help to clarify farmland NH3 emissions research progress. The theoretical guidance was provided on the future of farmland NH3 emissions research.

  8. Evaluation of a regional air-quality model with bidirectional NH3 exchange coupled to an agroecosystem modelecosystem model

    Science.gov (United States)

    Atmospheric ammonia (NH3) is the primary atmospheric base and an important precursor for inorganic particulate matter and when deposited NH3 contributes to surface water eutrophication, soil acidification and decline in species biodiversity. Flux measurement...

  9. Effect of rutile phase on V2O5 supported over TiO2 mixed phase for the selective catalytic reduction of NO with NH3

    Science.gov (United States)

    Zhang, Shule; Zhong, Qin; Wang, Yining

    2014-09-01

    A series of V2O5/TiO2 catalysts with different ratios of TiO2 rutile phase was prepared. Focusing on the effect of TiO2 rutile phase on V2O5/TiO2 catalyst for the selective catalytic reduction (SCR) of NO with NH3, the NO conversion for the different catalysts was investigated. The experimental results showed that a small amount of TiO2 rutile phase could improve the NO conversion significantly below 270 °C. Analysis by XRD, NH3-TPD, UV-vis, EPR and DFT calculation showed that the rutile phase of TiO2 supporter decreased the band gap, especially, the conduction band level. It improved the formation of reduced V species and superoxide ions that were important to the low-temperature SCR reaction.

  10. Messung der Geschwindigkeitskonstanten der Reaktion NH2+CH4→NH3+CH3 hinter einfallenden Stoßwellen / Measurements of the Rate Constant of the Reaction NH2+CH4→NH3+CH3 behind Incident Shock Waves

    Science.gov (United States)

    Möller, W.; Wagner, H. Gg.

    1984-09-01

    The rate constant of the reaction NH2+CH4→NH3+CH3 was measured at temperatures of about 1800 K by time-resolved UV-spectroscopy of the products behind incident shock waves. NH2 was produced by the presence and thermal decomposition of hydrazine. The data were evaluated by fitting simulated concentration-time-profiles to the measured ones. A mean rate constant k = (4±2) 1011 cm3 mol-1 s-1 1730

  11. The mechanism of the NH4 ion oscillatory transport across the excitable cell membrane

    Directory of Open Access Journals (Sweden)

    Radenović Čedomir N.

    2005-01-01

    Full Text Available This paper presents results on typical oscillations of the membrane potential induced by the excitation of the cell membrane by different concentrations of the NH4Cl solution. The existence of four classes of oscillations of the membrane potential and several different single and local impulses rhythmically occurring were determined. It is known that the oscillatory processes of the membrane potential are in direct dependence on oscillatory transport processes of NH4 and Cl ions across the excitable cell membrane. A hypothesis on a possible mechanism of oscillatory transport processes of NH4 and Cl ions across the excitable cell membrane is also presented.

  12. Theoretical Study of Electron Transfer in Bimolecular System of NH3 and H2O

    Institute of Scientific and Technical Information of China (English)

    2001-01-01

    Mulliken, NPA, MK and CHelpG population analyses have been accomplished at the level of MP2/6-31G(d,p) for the title system. The variations of four kinds of charges on NH3 with intermolecular distance infer that electron transfers from NH3 to H2O. MK and CHelpG population analyses indicate more electron transfer than Mulliken and NPA ones. The atomic charges resulted from MK and CHelpG schemes infer that electron transfers from N in NH3 to H in H2O, which confirms that this bimolecular complex possesses linear structure as H3N…HOH.

  13. Effects of atmospheric ammonia (NH3) on terrestrial vegetation: a review.

    Science.gov (United States)

    Krupa, S V

    2003-01-01

    At the global scale, among all N (nitrogen) species in the atmosphere and their deposition on to terrestrial vegetation and other receptors, NH3 (ammonia) is considered to be the foremost. The major sources for atmospheric NH3 are agricultural activities and animal feedlot operations, followed by biomass burning (including forest fires) and to a lesser extent fossil fuel combustion. Close to its sources, acute exposures to NH3 can result in visible foliar injury on vegetation. NH3 is deposited rapidly within the first 4-5 km from its source. However, NH3 is also converted in the atmosphere to fine particle NH4+ (ammonium) aerosols that are a regional scale problem. Much of our current knowledge of the effects of NH3 on higher plants is predominantly derived from studies conducted in Europe. Adverse effects on vegetation occur when the rate of foliar uptake of NH3 is greater than the rate and capacity for in vivo detoxification by the plants. Most to least sensitive plant species to NH3 are native vegetation > forests > agricultural crops. There are also a number of studies on N deposition and lichens, mosses and green algae. Direct cause and effect relationships in most of those cases (exceptions being those locations very close to point sources) are confounded by other environmental factors, particularly changes in the ambient SO2 (sulfur dioxide) concentrations. In addition to direct foliar injury, adverse effects of NH3 on higher plants include alterations in: growth and productivity, tissue content of nutrients and toxic elements, drought and frost tolerance, responses to insect pests and disease causing microorganisms (pathogens), development of beneficial root symbiotic or mycorrhizal associations and inter species competition or biodiversity. In all these cases, the joint effects of NH3 with other air pollutants such as all-pervasive O3 or increasing CO2 concentrations are poorly understood. While NH3 uptake in higher plants occurs through the shoots, NH4

  14. Rabbit pulmonary angiotensin-converting enzyme: the NH2-terminal fragment with enzymatic activity and its formation from the native enzyme by NH4OH treatment.

    Science.gov (United States)

    Iwata, K; Blacher, R; Soffer, R L; Lai, C Y

    1983-11-01

    The NH2-terminal sequence of 22 residues of rabbit lung angiotensin-converting enzyme has been determined as (NH2)Thr-Leu-Asp-Pro-Gly-Leu-Leu-Pro-Gly-Asp-Phe-Ala -Ala-Asp-Asn-Ala-Gly-Ala-Arg-Leu-Phe-Ala-. In the course of purification of the enzyme for structural analysis a protein of Mr = 82,000 with angiotensin-converting activity was separated from the major fraction containing the native enzyme (Mr = 140,000). This low-molecular-weight enzyme catalyzed the hydrolysis of the synthetic substrate Hip-His-Leu at a rate 23% of that with the native enzyme, and exhibited a similar Km value as well as behaviors towards various effectors of angiotensin-converting enzyme. Edman degradation of both the native and the 82K enzymes revealed that they contain identical amino acid sequences from the NH2-termini. This result and those of peptide mapping and carbohydrate and amino acid analyses indicate that the 82K enzyme is a fragment derived from the NH2-terminal portion of the native enzyme, and hence contains its catalytic site. Evidence has been obtained indicating that the active fragment was formed from the native enzyme during its elution from the antibody-affinity column with NH4OH: on treatment of the native enzyme (140K Mr) with 1 N NH4OH at room temperature, a cleavage occurred and two proteins with Mr = 82K and Mr = 62K were obtained. The 82K Mr fragment was found to be enzymatically active and to contain the same NH2-terminal sequence as the native enzyme. The other fragment (62K Mr) was devoid of the activity and was shown to derive from the COOH-terminal portion of the native enzyme by the peptide mapping and terminal analyses. Cleavage of a peptide bond with NH4OH is unusual and appears to be specific for the native angiotensin-converting enzyme from rabbit lung.

  15. Anodic reaction kinetics of electrowinning zinc in system of Zn(Ⅱ)-NH3-NH4Cl-H2O

    Institute of Scientific and Technical Information of China (English)

    杨声海; 唐谟堂; 陈艺锋; 唐朝波; 何静

    2004-01-01

    The anodic reaction kinetics of zinc electrowinning was investigated on the titanium base RuO2 anode in the system of Zn(Ⅱ)-NH3-NH4Cl-H2O. The effects of stirring speed, ammonium chloride concentration and temperature on anodic reaction rate were studied through the curve measurement of potentiostatic polarization. The results reveal that the electrochemically controlled anodic reaction obeys Tafel equation and the anodic reaction order for ammonium chloride is 1. 056, with the apparent activation energy of 40.17 kJ/mol. The general equation of anodic reaction kinetics was obtained.

  16. Investigations on the Photovoltaic Performance of CdS/CH3 NH3 PbI3 Cosensitized ZnO Solar Cells%CdS/CH3 NH3 PbI3共敏化 ZnO太阳能电池的光伏性能研究

    Institute of Scientific and Technical Information of China (English)

    张培松; 陈红; 栾红梅; 陈钢; 庞振宇; 杨丽丽

    2015-01-01

    量子点敏化太阳能电池( QDSSCs)是兼具低成本和高理论转换效率的第三代太阳能电池之一。量子点与有机染料共敏化是提高其光电转换效率的有效手段之一。CH3 NH3 PbI3钙钛矿材料是新兴的有机吸光层材料。本文将其作为共敏化剂,制作CdS/CH3 NH3 PbI3共敏化ZnO纳米棒太阳能电池,并研究CH3 NH3 PbI3钙钛矿共敏化和CdS量子点沉积次数对量子点/CH3 NH3 PbI3共敏化太阳能电池光伏性能的影响。%The quantum dots sensitized solar cells ( QDSSCs) became one of the third generation solar cells due to their lower cost and higher theoretical conversion efficiency .Cosensitization with quantum dots and organic dye was one of effective methods to improve the photoelectric conversion efficiency of QDSSCs .CH3 NH3 PbI3 perovskite was a burgeoning organic light absorption material .The CdS/CH3 NH3 PbI3 cosensitized solar cells with ZnO nanorods as photoanodes were prepared ,and the influences of cosensitization of perovskite and the deposition times of CdS quantum dots on the photovoltaic performance of solar cells were investigated .

  17. The Effect of Solvents on the Performance of CH3NH3PbI3 Perovskite Solar Cells

    Directory of Open Access Journals (Sweden)

    Pao-Hsun Huang

    2017-04-01

    Full Text Available The properties of perovskite solar cells (PSCs fabricated using various solvents was studied. The devices had an indium tin oxide (ITO/poly(3,4-ethylenedioxythiophene: poly(styrenesulfonate (PEDOT:PSS/CH3NH3PbI3 (fabricated by using various solvents/fullerene (C60/bathocuproine (BCP/silver (Ag structure. The solvents used were dimethylformamide (DMF, γ-butyrolactone (GBL, dimethyl sulfoxide (DMSO, a mixture of DMSO and DMF (1:1 v/v, and a mixture of DMSO and GBL (DMSO: GBL, 1:1 v/v, respectively. The power conversion efficiency (PCE of the device fabricated using DMF is zero, which is attributed to the poor coverage of CH3NH3PbI3 film on the substrate. In addition, the PCE of the device made using GBL is only 1.74% due to the low solubility of PbI2 and CH3NH3I. In contrast, the PCE of the device fabricated using the solvents containing DMSO showed better performance. This is ascribed to the high solubilization properties and strong coordination of DMSO. As a result, a PCE of 9.77% was obtained using a mixed DMSO:GBL solvent due to the smooth surface, uniform film coverage on the substrate and the high crystallization of the perovskite structure. Finally, a mixed DMSO: DMF:GBL (5:2:3 v/v/v solvent that combined the advantages of each solvent was used to fabricate a device, leading to a further improvement of the PCE of the resulting PSC to 10.84%.

  18. Insight into the CH3NH3PbI3/C interface in hole-conductor-free mesoscopic perovskite solar cells

    Science.gov (United States)

    Li, Jiangwei; Niu, Guangda; Li, Wenzhe; Cao, Kun; Wang, Mingkui; Wang, Liduo

    2016-07-01

    Perovskite solar cells (PSCs) with hole-conductor-free mesoscopic architecture have shown superb stability and great potential in practical application. The printable carbon counter electrodes take full responsibility of extracting holes from the active CH3NH3PbI3 absorbers. However, an in depth study of the CH3NH3PbI3/C interface properties, such as the structural formation process and the effect of interfacial conditions on hole extraction, is still lacking. Herein, we present, for the first time, an insight into the spatial confinement induced CH3NH3PbI3/C interface formation by in situ photoluminescence observations during the crystallization process of CH3NH3PbI3. The derived reaction kinetics allows a quantitative description of the perovskite formation process. In addition, we found that the interfacial contact between carbon and perovskite was dominant for hole extraction efficiency and associated with the photovoltaic parameter of short circuit current density (JSC). Consequently, we conducted a solvent vapor assisted process of PbI2 diffusion to carefully control the CH3NH3PbI3/C interface with less unreacted PbI2 barrier. The improvement of interface conditions thereby contributes to a high hole extraction proved by the charge extraction resistance and PL lifetime change, resulting in the increased JSC valve.Perovskite solar cells (PSCs) with hole-conductor-free mesoscopic architecture have shown superb stability and great potential in practical application. The printable carbon counter electrodes take full responsibility of extracting holes from the active CH3NH3PbI3 absorbers. However, an in depth study of the CH3NH3PbI3/C interface properties, such as the structural formation process and the effect of interfacial conditions on hole extraction, is still lacking. Herein, we present, for the first time, an insight into the spatial confinement induced CH3NH3PbI3/C interface formation by in situ photoluminescence observations during the crystallization

  19. Structure-function studies of BPP-BrachyNH2 and synthetic analogues thereof with Angiotensin I-Converting Enzyme

    DEFF Research Database (Denmark)

    Arcanjo, Daniel Dias Rufino; Vasconcelos, Andreanne Gomes; Nascimento, Lucas A

    2017-01-01

    The vasoactive proline-rich oligopeptide termed BPP-BrachyNH2 (H-WPPPKVSP-NH2) induces in vitro inhibitory activity of angiotensin I-converting enzyme (ACE) in rat blood serum. In the present study, the removal of N-terminal tryptophan or C-terminal proline from BPP-BrachyNH2 was investigated in ...

  20. Estimation of global NH3 emissions from synthetic fertilizers and animal manure applied to arable lands and grasslands

    NARCIS (Netherlands)

    Bouwman, A.F.; Boumans, L.J.M.; Batjes, N.H.

    2002-01-01

    One of the main causes of the low efficiency in nitrogen (N) use by crops is the volatilization of ammonia (NH3) from fertilizers. Information taken from 1667 NH3 volatilization measurements documented in 148 research papers was summarized to assess the influence on NH3 volatilization of crop type,

  1. Evaluating 4 years of atmospheric ammonia (NH3) over Europe using IASI satellite observations and LOTOS-EUROS model results

    NARCIS (Netherlands)

    Damme, M. van; Wichink Kruit, R.J.; Schaap, M.; Clarisse, L.; Clerbaux, C.; Coheur, P.F.; Dammers, E.; Dolman, A.J.; Erisman, J.W.

    2014-01-01

    Monitoring ammonia (NH3) concentrations on a global to regional scale is a challenge. Due to the limited availability of reliable ground-based measurements, the determination of NH3 distributions generally relies on model calculations. Novel remotely sensed NH3burdens provide valuable insights to co

  2. The efficiency limit of CH3NH3PbI3 perovskite solar cells

    Science.gov (United States)

    Sha, Wei E. I.; Ren, Xingang; Chen, Luzhou; Choy, Wallace C. H.

    2015-06-01

    With the consideration of photon recycling effect, the efficiency limit of methylammonium lead iodide (CH3NH3PbI3) perovskite solar cells is predicted by a detailed balance model. To obtain convincing predictions, both AM 1.5 spectrum of Sun and experimentally measured complex refractive index of perovskite material are employed in the detailed balance model. The roles of light trapping and angular restriction in improving the maximal output power of thin-film perovskite solar cells are also clarified. The efficiency limit of perovskite cells (without the angular restriction) is about 31%, which approaches to Shockley-Queisser limit (33%) achievable by gallium arsenide (GaAs) cells. Moreover, the Shockley-Queisser limit could be reached with a 200 nm-thick perovskite solar cell, through integrating a wavelength-dependent angular-restriction design with a textured light-trapping structure. Additionally, the influence of the trap-assisted nonradiative recombination on the device efficiency is investigated. The work is fundamentally important to high-performance perovskite photovoltaics.

  3. Comparison of preparation methods for ceria catalyst and the effect of surface and bulk sulfates on its activity toward NH3-SCR.

    Science.gov (United States)

    Chang, Huazhen; Ma, Lei; Yang, Shijian; Li, Junhua; Chen, Liang; Wang, Wei; Hao, Jiming

    2013-11-15

    A series of CeO2 catalysts prepared with sulfate (S) and nitrate (N) precursors by hydrothermal (H) and precipitation (P) methods were investigated in selective catalytic reduction of NOx by NH3 (NH3-SCR). The catalytic activity of CeO2 was significantly affected by the preparation methods and the precursor type. CeO2-SH, which was prepared by hydrothermal method with cerium (IV) sulfate as a precursor, showed excellent SCR activity and high N2 selectivity in the temperature range of 230-450 °C. Based on the results obtained by temperature-programmed reduction (H2-TPR), transmission infrared spectra (IR) and thermal gravimetric analysis (TGA), the excellent performance of CeO2-SH was correlated with the surface sulfate species formed in the hydrothermal reaction. These results indicated that sulfate species bind with Ce(4+) on the CeO2-SH catalyst, and the specific sulfate species, such as Ce(SO4)2 or CeOSO4, were formed. The adsorption of NH3 was promoted by these sulfate species, and the probability of immediate oxidation of NH3 to N2O on Ce(4+) was reduced. Accordingly, the selective oxidation of NH3 was enhanced, which contributed to the high N2 selectivity in the SCR reaction. However, the location of sulfate on the CeO2-SP catalyst was different. Plenty of sulfate species were likely deposited on CeO2-SP surface, covering the active sites for NO oxidation, which resulted in poor SCR activity in the test temperature range. Moreover, the resistance to alkali metals, such as Na and K, was improved over the CeO2-SH catalyst.

  4. Enhancing the Performance of Perovskite Solar Cells by Hybridizing SnS Quantum Dots with CH3 NH3 PbI3.

    Science.gov (United States)

    Han, Jianhua; Yin, Xuewen; Nan, Hui; Zhou, Yu; Yao, Zhibo; Li, Jianbao; Oron, Dan; Lin, Hong

    2017-08-01

    The combination of perovskite solar cells and quantum dot solar cells has significant potential due to the complementary nature of the two constituent materials. In this study, solar cells (SCs) with a hybrid CH3 NH3 PbI3 /SnS quantum dots (QDs) absorber layer are fabricated by a facile and universal in situ crystallization method, enabling easy embedding of the QDs in perovskite layer. Compared with SCs based on CH3 NH3 PbI3 , SCs using CH3 NH3 PbI3 /SnS QDs hybrid films as absorber achieves a 25% enhancement in efficiency, giving rise to an efficiency of 16.8%. The performance improvement can be attributed to the improved crystallinity of the absorber, enhanced photo-induced carriers' separation and transport within the absorber layer, and improved incident light utilization. The generality of the methods used in this work paves a universal pathway for preparing other perovskite/QDs hybrid materials and the synthesis of entire nontoxic perovskite/QDs hybrid structure. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  5. GLOBEC NEP Northern California Current Cetacean Survey Data, NH0005, 0007

    Data.gov (United States)

    National Oceanic and Atmospheric Administration, Department of Commerce — GLOBEC (GLOBal Ocean ECosystems Dynamics) NEP (Northeast Pacific) Northern California Current Cetacean Survey Data from R/V New Horizon cruises NH0005 and 0007....

  6. Plasma chemistry in an atmospheric pressure Ar/NH3 dielectric barrier discharge

    DEFF Research Database (Denmark)

    Fateev, A.; Leipold, F.; Kusano, Y.

    2005-01-01

    An atmospheric pressure dielectric barrier discharge (DBD) in Ar/NH3 (0.1 - 10%) mixtures with a parallel plate electrode geometry was studied. The plasma was investigated by emission and absorption spectroscopy in the UV spectral range. Discharge current and voltage were measured as well. UV...... absorption spectroscopy was also employed for the detection of stable products in the exhaust gas. To clarify the different processes for ammonia decomposition, N-2(2 - 10%) was added to the plasma. Modeling of the chemical kinetics in an Ar/NH3 plasma was performed as well. The dominant stable products...... of an atmospheric pressure Ar/NH3 DBD are H-2, N-2 and N2H4. The hydrazine (N2H4) concentration in the plasma and in the exhaust gases at various ammonia concentrations and different discharge powers was measured. Thermal N2H4 decomposition into NH2 radicals may be used for NOx reduction processes....

  7. Phosphine-free conversion of alcohols into alkyl thiocyanates using trichloroisocyanuric acid/NH4SCN

    Institute of Scientific and Technical Information of China (English)

    Roya Azadi; Babak Mokhtari; Mohamad-Ali Makaremi

    2012-01-01

    A convenient and efficient phosphine-free procedure for the one-pot conversion of primary,secondary and tertiary alcohols into the corresponding alkyl thiocyanates or alkyl isothiocyanates is described using trichloroisocyanuric acid/NH4SCN.

  8. NOAA Climate Data Record (CDR) of Northern Hemisphere (NH) Snow Cover Extent (SCE), Version 1

    Data.gov (United States)

    National Oceanic and Atmospheric Administration, Department of Commerce — This NOAA Climate Data Record (CDR) is a record for the Northern Hemisphere (NH) Snow Cover Extent (SCE) spanning from October 4, 1966 to present, updated monthly...

  9. Review of ASME-NH Design Materials for Creep-Fatigue

    Energy Technology Data Exchange (ETDEWEB)

    Koo, Gyeong Hoi; Kim, Jong Bum [Korea Atomic Energy Research Institute, Daejeon (Korea, Republic of)

    2010-05-15

    To review and recommend the candidate design materials for the Sodium-Cooled Fast Reactor, the material sensitivity evaluations by the comparison of design data between the ASME-NH materials were performed by using the SIE ASME-NH computer program implementing the material database of the ASME-NH. The design material data provided by the ASME-NH code are the elastic modulus and yield Strength, Time-Independent Allowable Stress Intensity value, time-dependent allowable stress intensity value, expected minimum stress-to rupture value, stress rupture Factors for weldment, isochronous stress-strain curves, and design fatigue curves. Among these, the data related with the creep-fatigue evaluation are investigated in this study

  10. Structure and Stability of Endohedral Complexes X@(HAlNH)12 (X = He, Ne, Ar, Kr)

    Institute of Scientific and Technical Information of China (English)

    ZHANG Cai-Yun; WU Hai-Shun

    2005-01-01

    The structures of closo-hedral cluster (HAlNH)12 and endohedral complexes X@(HAlNH)12 (X = He, Ne, Ar, Kr) have been studied by using density functional theory (DFT) at the B3LYP/6-31G(d) level. The geometries, natural bond orbital (NBO), vibrational frequency, energetic parameters, magnetic shielding constants and nucleus independent chemical shifts (NICS) were discussed. The potential surface of guest X shifting from the cage center to a face of six- membered ring was calculated at the same level. The exit transition state was demonstrated with IRC calculations. It is found that X@(HAlNH)12 complexes are dynamically stable, and Ne@(HAlNH)12 is more energetically favorable than the other complexes in thermodynamics.

  11. Stratified NH and ND emission in the prestellar core 16293E in L1689N

    CERN Document Server

    Bacmann, A; Caselli, P; Ceccarelli, C; Lis, D; Vastel, C; Dumouchel, F; Lique, F; Caux, E

    2015-01-01

    High degrees of deuterium fractionation are commonly found in cold prestellar cores and in the envelopes around young protostars. As it brings strong constraints to chemical models, deuterium chemistry is often used to infer core history or molecule formation pathways. Whereas a large number of observations is available regarding interstellar deuterated stable molecules, relatively little is known about the deuteration of hydride radicals, as their fundamental rotational transitions are at high frequencies where the atmosphere is mostly opaque. Nitrogen hydride radicals are important species in nitrogen chemistry, as they are thought to be related to ammonia formation. Observations have shown that ammonia is strongly deuterated, with [NH2D]/[NH3] ~ 10%. Models predict similarly high [ND]/[NH] ratios, but so far only one observational determination of this ratio is available, towards the envelope of the protostar IRAS16293-2422. In order to test model predictions, we aim here at determining [ND]/[NH] in a dens...

  12. Is electronegativity a useful descriptor for the pseudo-alkali metal NH4?

    Science.gov (United States)

    Whiteside, Alexander; Xantheas, Sotiris S; Gutowski, Maciej

    2011-11-18

    Molecular ions in the form of "pseudo-atoms" are common structural motifs in chemistry, with properties that are transferrable between different compounds. We have determined one such property--the electronegativity--for the "pseudo-alkali metal" ammonium (NH(4)), and evaluated its reliability as a descriptor versus the electronegativities of the alkali metals. The computed properties of ammonium's binary complexes with astatine and of selected borohydrides confirm the similarity of NH(4) to the alkali metal atoms, although the electronegativity of NH(4) is relatively large in comparison to its cationic radius. We have paid particular attention to the molecular properties of ammonium (angular anisotropy, geometric relaxation and reactivity), which can cause deviations from the behaviour expected of a conceptual "true alkali metal" with this electronegativity. These deviations allow for the discrimination of effects associated with the molecular nature of NH(4).

  13. Use of NH3 fuel to achieve deep greenhouse gas reductions from US transportation

    Directory of Open Access Journals (Sweden)

    Doo Won Kang

    2015-11-01

    The current study demonstrates that NH3-fueled vehicles could be a promising near-term alternative for LDV because of its significant contribution in reducing CO2 emissions compared with vehicles of carbon based fuels.

  14. A study of the adsorption of NH 3 and SO 2 on leaf surfaces

    Science.gov (United States)

    Van Hove, L. W. A.; Adema, E. H.; Vredenberg, W. J.; Pieters, G. A.

    The adsorption of NH 3 and SO 2 on the external leaf surface of bean ( Phaseolus vulgaris L.) and poplar ( Populus euramericana L.) was studied. The adsorbed quantities increased strongly with increasing air humidity, indicating that water on the leaf surface plays a major role in the interaction of these gases with the leaf surface. On the other hand temperature in the range between 15 and 26°C had no significant influence. The adsorbed quantities of NH 3 at a specific air humidity appeared to be proportional to NH 3 concentration. This proportionality was less clear for SO 2. The affinity of SO 2 for the leaf surface was found to be approximately twice that of NH 3. A mixture of these gases in the air mutually stimulated their adsorption on the leaf. No significant desorption or uptake of these gases through the cuticle could be detected, indicating that the bulk of the adsorbed gases remains associated with the cuticle.

  15. Fabrication and characterization of CH3NH3(Cs)Pb(Sn)I3(Br) perovskite solar cells

    Science.gov (United States)

    Ueoka, Naoki; Ohishi, Yuya; Shirahata, Yasuhiro; Suzuki, Atsushi; Oku, Takeo

    2017-01-01

    Perovskite-type CH3NH3(MA)PbI3-based photovoltaic devices were fabricated and characterized. Doping effects of cesium iodide (CsI), cesium bromide (CsBr) and tin bromide (SnBr2) on the photovoltaic properties and surface microstructures of the perovskite phase were investigated. Short-circuit current densities, open-circuit voltages and fill factors increased by CsI and SnBr2 addition. The surface coverage of the perovskite crystals was also improved by SnBr2 doping, which resulted in improvement of the fill factor. The cell prepared by a starting composition of MA0.95Cs0.05Pb0.95Sn0.05I2.90Br0.10 showed the best photovoltaic performance in the present work.

  16. Promotional effects of Titanium additive on the surface properties, active sites and catalytic activity of W/CeZrOx monolithic catalyst for the selective catalytic reduction of NOx with NH3

    Science.gov (United States)

    Xu, Haidi; Feng, Xi; Liu, Shuang; Wang, Yun; Sun, Mengmeng; Wang, Jianli; Chen, Yaoqiang

    2017-10-01

    CeZrTixO2 mixed oxides were prepared by a co-precipitation method, and serial WO3/CeZrTixO2 catalysts were prepared to investigate the influence of doping TiO2 into CeZrO2 on the catalytic performance of selective catalytic reduction of NOx with NH3. The activity results showed that the introduction of appropriate amount of TiO2 could effectively improve the catalytic performance. WO3/CeZrTi20O2 with 20 wt.% TiO2 showed better deNOx activity and sulfur/water vapor tolerance than W/CeZrO2. Several techniques, including N2 physisorption, XRD, XPS, H2-TPR, NH3-TPD and in situ DRIFTS, were employed to characterize catalysts. The results indicated that doping TiO2 led to the formation of cerium-zirconium-titanium solid solution with larger surface area. The interactions among metal oxides could enhance the redox properties of the catalyst, which was helpful to the improvement of the low-temperature NH3-SCR activity. Moreover, the addition of TiO2 promoted the adsorption and activation of NH3 and increased the reactivity of adsorbed nitrate species with NH3 species, which significantly affected the NH3-SCR performance. Finally, the results of in situ DRIFTS demonstrated that the NH3-SCR reaction mainly followed the Langmuir-Hinshelwood mechanism over W/CeZrO2 and W/CeZrTi20O2 catalysts at 200 °C.

  17. Crystal structure and characterization of the novel NH{sup +} Midline-Horizontal-Ellipsis N hydrogen bonded polar crystal [NH{sub 2}(CH{sub 2}){sub 4}NH][BF{sub 4}

    Energy Technology Data Exchange (ETDEWEB)

    Wojtas, M., E-mail: maciej.wojtas@chem.uni.wroc.pl [Faculty of Chemistry, University of Wroclaw, Joliot-Curie 14, 50-383 Wroclaw (Poland); Gagor, A. [W. Trzebiatowski Institute of Low Temperature and Structure Research, Polish Academy of Science, PO Box 1410, 50-950 Wroclaw (Poland); Czupinski, O. [Faculty of Chemistry, University of Wroclaw, Joliot-Curie 14, 50-383 Wroclaw (Poland); Medycki, W. [Institute of Molecular Physics, Polish Academy of Science, Smoluchowskiego 17, 60-179 Poznan (Poland); Jakubas, R. [Faculty of Chemistry, University of Wroclaw, Joliot-Curie 14, 50-383 Wroclaw (Poland)

    2012-03-15

    Dielectric properties and phase transitions of the piperazinium tetrafluoroborate ([NH{sub 2}(CH{sub 2}){sub 4}NH][BF{sub 4}], abbreviated as PFB) crystal are related to the one-dimensional arrangement of the cations linked by the bistable NH{sup +} Midline-Horizontal-Ellipsis N hydrogen bonds and molecular motions of the [BF{sub 4}]{sup -} units. The crystal structure of [NH{sub 2}(CH{sub 2}){sub 4}NH][BF{sub 4}] is monoclinic at room temperature with the polar space group Pn. The polar/acentric properties of the room temperature phase IV have been confirmed by the piezoelectric and pyroelectric measurements. DSC measurements show that the compound undergoes three first-order structural phase transitions: at 421/411 K (heating/cooling), at 386/372 K and at 364/349 K. {sup 1}H and {sup 19}F NMR measurements indicate the reorientational motions of [BF{sub 4}]{sup -} anions and piperazinium(+) cations as well as the proton motion in the hydrogen-bonded chains of piperazine along the [001] direction. Over the phase I the isotropic reorientational motions or even self-diffusion of the cations and anions are expected. The conductivity measurements in the vicinity of the II-I PT indicate a superionic phase over the phase I. - Graphical abstract: It must be emphasized that the titled compound represents the first organic-inorganic simple salt containing the single-protonated piperazinium cation which was studied by means of the wide variety of experimental techniques. A survey of Cambridge Structural Database (CSD version 5.32 (November 2010) and updates (May 2011)) for structure containing the piperazinium cations yields 248 compounds with the doubly protonated piperazinium(2+) cations and only eight compounds with the singly protonated piperazinium(+) cations. Among these structures only one is the hybrid organic-inorganic material. This is piperazinium nitrate characterized structurally. The crystal packing of [NH{sub 2}(CH{sub 2}){sub 4}NH][BF{sub 4}], phase IV. The

  18. The Galactic NH - AV Relation and its Application to Historical Galactic SNRs

    CERN Document Server

    Tian, Wen-Wu; Xiang, F Y

    2013-01-01

    We refine a classic relation between the hydrogen column density (NH) and optical extinction (Av) by employing 39 Galactic Supernova Remnants (SNRs) with X-rays, optical and/or infra-red data available. We find NH = (1.69+/-0.07)*10^21 Av cm^(-2) mag^(-1) . Applying this relation to three Galactic SNRs with good historical records allows us to further constrain either their progenitor's distances or magnitudes, which is independent access to their distances.

  19. Porphyrin molecules boost the sensitivity of epitaxial graphene for NH3 detection

    Science.gov (United States)

    Iezhokin, I.; den Boer, D.; Offermans, P.; Ridene, M.; Elemans, J. A. A. W.; Adriaans, G. P.; Flipse, C. F. J.

    2017-02-01

    The sensitivity of quasi-free standing epitaxial graphene for NH3 detection is strongly enhanced by chemical functionalization with cobalt porphyrins resulting in a detection limit well below 100 ppb. Hybridization between NH3 and cobalt porphyrins induces a charge transfer to graphene and results in a shift of the graphene Fermi-level as detected by Hall measurements and theoretically explained by electronic structure calculations.

  20. Effects of high NH4+ on K+ uptake, culm mechanical strength and grain filling in wheat

    Directory of Open Access Journals (Sweden)

    Lingan eKong

    2014-12-01

    Full Text Available It is well established that a high external NH4+ concentration depresses many processes in plant development, but the underlying mechanisms are still not well understood. To determine whether the negative effects of high levels of NH4+ are related to competitive cation uptake, wheat was grown in a field with moderate (18 g N m-2 and high (30 g N m-2 supplies of NH4+ in the presence or absence of additional K+ (6 g K2O m-2 to examine culm mechanical strength, the main components of the vascular bundle, nitrogen (N remobilization and the grain-filling rate. The results indicated that an excessive supply of NH4+ significantly decreased culm mechanical strength, the cellulose and lignin contents of vascular bundles, the N remobilization efficiency (NRE and the grain-filling rate compared with a moderate level of NH4+. The additional provision of K+ considerably alleviated these negative effects of high NH4+, resulting in a 19.41%-26.95% increase in culm mechanical strength during grain filling and a 34.59% increase in the NRE. An assay using the scanning ion-selective electrode technique (SIET showed that the net rate of transmembrane K+ influx decreased by 84.62%, and measurements using flame photometry demonstrated that the K+ content decreased by 36.13% in wheat plants subjected to high NH4+. This study indicates that the effects of high NH4+ on culm mechanical strength, cellulose and lignin contents, the NRE and the grain-filling rate are probably associated with inhibition of K+ uptake in wheat.

  1. NH+4型斜发沸石吸附钾离子%Adsorption of Potassium on NH+4-pretreated Clinoptilolite

    Institute of Scientific and Technical Information of China (English)

    程国斌; 韩梅; 王刃; 马伟

    2005-01-01

    研究了NH+4型斜发沸石对盐水中钾离子的吸附行为,考察了竞争阳离子等对铵型斜发沸石吸附钾离子的影响. 结果表明,NH+4型斜发沸石对钾离子具有较强的选择吸附性与较大的饱和吸附容量,受钾离子初始浓度的影响,NH+4型斜发沸石吸附钾离子的行为在沸石相K+平衡分数YK+为0.5时发生较大转折. 竞争阳离子的存在在不同程度上抑制了铵型斜发沸石对钾离子的吸附,特别是钾离子与钠离子的相对比例直接影响NH+4型斜发沸石对混合液中钾离子的选择交换能力.

  2. The fate of 15NH4 + labeled deposition in a Scots pine forest in the Netherlands under high and lowered NH4+ deposition, eight years after application

    NARCIS (Netherlands)

    Wessel, W.W.; Tietema, A.; Boxman, A.W.

    2013-01-01

    To study the long-term fate of deposited ammonium (NH4 +) in a Scots pine forest stand under high nitrogen (N) deposition in the Netherlands we re-sampled the plots of a 15N tracer experiment with high (i.e. ambient) and lowered N deposition in this stand 8 years after application of the tracer. The

  3. NASICON固体电解质NH3传感器的研制%NH3 Gas Sensor based on NASICON Solid-electrolyte

    Institute of Scientific and Technical Information of China (English)

    梁喜双; 钟铁钢; 刘凤敏; 全宝富

    2009-01-01

    本文介绍了一种管式结构的固体电解质NH,传感器.该传感器是将溶胶-凝胶法制备的NASICON为导电层材料,以掺杂C的Cr2O3为辅助电极材料制得的.当工作温度在250~450℃时,器件对浓度为(50-500)x10-6的NH3表现出了良好的气敏性能,器件电动势EMF值与NH3浓度的对数表现出了很好的线性关系,在350℃时,器件的灵敏度为89 mV/decade.同时,器件表现出较快的响应恢复速度,对50×10-6的NH3的响应恢复时间分别为30s和60s,且有较好的选择性.

  4. Effect on the morphology and optical properties of CH3NH3PbI3 with additive of NH4Cl

    Science.gov (United States)

    Yan, Xiaoliang; Yang, Xiao; Wang, Ruizhi; Li, Heng; Sheng, Chuanxiang

    2017-02-01

    Rapid emergence of solar cells based on mixed organic-inorganic halide perovskite have led to high power conversion efficiencies of over 20% in recent years. Looking for a simple and convenient way to fine-control of the perovskite film morphology is becoming one of the main issues. In this work, we explore the effect of adding NH4Cl on crystallization process and optical properties of perovskite. With adding NH4Cl, the perovskite films prepared by one-step method present better morphology than films without adding NH4Cl, namely, smoother surface and better coverage which result in uniform and much more stable photoluminescence intensities as well as longer lifetime of photoexcitations. More importantly, the photovoltaic cells fabricated with the addition of the NH4Cl have far better performance than the cells without additives. Therefore, one-step fabrication method can also control the morphology of perovskite films finely for both optical application and solar cells with adding proper additive.

  5. Molecular observations of HH34 - Does NH3 accurately trace dense molecular gas near young stars?

    Science.gov (United States)

    Davis, C. J.; Dent, W. R. F.

    1993-03-01

    Single-dish observations in HCO(+) J = 4-3 are presented of the regions around HH34 and around HH34IRS. The former is one of the best examples of the association between Herbig-Haro shocks, optical jets, and young stellar objects. The HCO(+) and CS maps peak toward the outflow source HH34IRS and suggest the presence of a hot dense molecular core. The NH3 is confined to a peak about 4-0 arcsec east of HH34IRS and to a ridge which extends in a north-south direction and peaks about 20 arcsec south of the end of the optical jet. Thus, the NH3 observations do not trace the underlying gas density and temperature in this outflow source. Toward HH34IRS the NH3 column density is less by a factor of about 10 than toward the NH3 peak position is the HH34 region, providing evidence that the NH3 is underabundant towards the central exciting stars. This underabundance may explain the toroidal structures often seen in NH3 observations of other outflow sources.

  6. [Contents of nutrient elements in NH4(+)-N fertilizer and urea].

    Science.gov (United States)

    Wang, Zheng-Rui; Qu, Gui-Qin; Rui, Yu-Kui; Shen, Jian-Bo; Zhang, Fu-Suo

    2009-03-01

    Fertilizer contains not only one compound or one element, so it is important to determine the contents of other elements necessitous and beneficial to plant. All the other nutrient elements for plant, including necessitous elements and beneficial elements in ammonia nitrogen fertilizer ((NH4)2SO4) and CO(NH2)2, were analyzed by method of ICP-MS. The results showed that ammonia nitrogen fertilizer ((NH4)2SO4) and CO(NH2)2 both contain many necessitous elements, Mg, P, K, Ca, Mn, Fe, Ni, Cu, Zn and Mo, thereinto the contents of Mg, P, K, Ca, Mn and Fe were on microg x g(-1) the level, and Ni, Cu, Zn and Mo were on the ng x g(-1) level; compared with CO(NH2)2, ammonia nitrogen fertilizer ((NH4)2SO4) contains more necessitous elements and beneficial elements except Mo and Si. All the above elements could influence the results of nitrogen fertilizer efficiency experiments, so pure fertilizer should be used in the future nitrogen fertilizer efficiency experiments and the comparative experiments of different form nitrogen fertilizer.

  7. NH4+ adsorption and adsorption kinetics by sediments in a drinking water reservoir

    Directory of Open Access Journals (Sweden)

    Suna Hongyan

    2016-12-01

    Full Text Available The sorption isotherm and sorption kinetics of NH4+ by the Fen River reservoir sediment were investigated for a better understanding of the NH4+ sorption characteristics and parameters. The results showed that Q (adsorption content increased with the increase of Ceq (equilibrium concentration, sorption isotherms could be described by Freundlich equation (R2 from 0.97 to 0.99. Cation exchange capacity (CEC had a significant correlation with the parameters K and n (R2 was 0.85 and 0.95, respectively. The ENC0 (Ceq as Q was zero of S1, S2, S3 and S4 was 1.25, 0.57, 1.15 and 1.14 mg L-1, respectively, and they were less than the NH4+ concentrations in reservoir water. The sediments released NH4+ to the Fen River reservoir water and acted as a pollution source, in the form of complex and heterogeneous adsorbents. The NH4+ adsorption kinetic process was composed of ‘fast’ and ‘slow’ reaction patterns and could be fitted using both Elovich equation and Pseudo second-equation. More than one-step may be involved in the NH4+ sorption processes, and interior diffusion was not dominant ion action.

  8. Thermodynamic Properties of NH4+ Fixation in Manured Loess Soil in Shaanxi Province,China

    Institute of Scientific and Technical Information of China (English)

    FANXIAOLIN; JUANGTZOCHUAN; 等

    1997-01-01

    Some thermodynamic properties of NH4+ fixation by loess soil in plowing and clay layers are discussed.The results indicate that the four ion adsorption equations commonly used can describe the properties of NH4+ fixation in these soils under constant temperature.Among the four adsorption equations,the single-surface Langmuir equation is the best.When the concentration of NH4Cl solution is 10-1 mol below,the Freundlich equation can be used. The changes of apparent standard free energy(△G°),enthalpy(△H°)and entropy(△S°)ilustrate that NH4+ fixation in soil is an endothermic adsorption and spontaneous reaction,and the process can be enhanced by a higher temperature and clay content in soil. The"proper value of NH4+ fixation by soil(K1×qm)imcreased with increasing clay content and temper-ature.The heat of NH4+ fixation in soil(Qm) confirms the conclusions made in this paper.

  9. Measurement of ambient NH{sub 3} over Bay of Bengal during WICARB Campaign

    Energy Technology Data Exchange (ETDEWEB)

    Sharma, S.K.; Mandal, T.K.; Saxena, M.; Singh, S. [CSIR-National Physical Laboratory, New Delhi (India); Singh, A.K.; Ghosh, S.K.; Raha, S. [Centre for Astroparticle Physics and Space Science, Darjeeling, West Bengal (India). Bose Inst.; Centre for Astroparticle Physics and Space Science, Kolkata, West Bengal (India). Bose Inst.; Saud, T. [CSIR-National Physical Laboratory, New Delhi (India); Guru Govind Singh Indraprastha Univ., New Delhi (India)

    2012-07-01

    Concentrations of ambient NH{sub 3}, NO, NO{sub 2} and SO{sub 2} were measured over Bay of Bengal (BoB) during 28 December 2008 to 25 January 2009 to study their diurnal variation and relationship of NH{sub 3} with other trace gases over BoB. The measurements were done under the winter phase of Integrated Campaign on Aerosols and Radiation Budget (WICARB). For the first time, ambient NH{sub 3} was monitored precisely over BoB based on chemiluminescence method, having estimation efficiency more precise than the chemical trap method. The average concentration of ambient NH{sub 3}, NO, NO{sub 2} and SO{sub 2} were recorded as 4.78{+-}1.68, 1.89{+-}1.26, 0.31{+-}0.14 and 0.80{+-}0.30 {mu}gm{sup -3}, respectively, over BoB. The prominent latitudinal and longitudinal variations of the trace gases were observed over BoB, whereas NH{sub 3} and NO showed the non-significant diurnal variation. Results reveal that the concentration of ambient NH{sub 3} negatively correlated with ambient NO{sub 2} (r{sup 2} =.0.56), SO{sub 2} (r{sup 2} =.0.58) and ambient temperature (r{sup 2} =.0.27) during the study. (orig.)

  10. Effect of surface modification of activated carbon on its adsorption capacity for NH3

    Institute of Scientific and Technical Information of China (English)

    SHAN Xiao-mei; ZHU Shu-quan; ZHANG Wen-hui

    2008-01-01

    To investigate the effects of carbon surface characteristics on NH3 adsorption, coal-based and coconut shell activated carbons were modified by treatment with oxidants. The surface properties of the carbons were characterized by low temperature nitrogen sorption, by Boehm's titrations and by XPS techniques. NH3 adsorption isotherms of the original and the modified carbons were determined. The results show that the carbons were oxidized by HNO3 and (NH4)2S2O8, and that there was an increase in oxygen containing functional groups on the surface. However, the pore-size distribution of the coal-based carbons was changed after KMnO4 treatment. It was found that the NH3 adsorption capacity of the modified carbons was enhanced and that the most pronounced enhancement results from (NH4)2S2O8 oxidation. Under our experimental conditions, the capacity is positively corrected to the number of surface functional groups containing oxygen, and to the number of micro-pores. Furthermore, an empirical model of the relationship between NH3 adsorption and multiple factors on the carbon surface was fit using a complex regression method.

  11. Optical monitoring of CH3NH3PbI3 thin films upon atmospheric exposure

    Science.gov (United States)

    Ghimire, Kiran; Zhao, Dewei; Cimaroli, Alex; Ke, Weijun; Yan, Yanfa; Podraza, Nikolas J.

    2016-10-01

    CH3NH3PbI3 perovskite films of interest for photovoltaic (PV) devices have been prepared by (i) vapor deposition and (ii) solution processing. Complex dielectric function (ε  =  ε 1  +  iε 2) spectra and structural parameters of the films have been extracted using near infrared to ultraviolet spectroscopic ellipsometry. In situ real time spectroscopic ellipsometry (RTSE) over a 48 h period has been performed on vapor deposited CH3NH3PbI3 after the deposition in normal atmospheric laboratory ambient conditions. Analysis of RTSE data for vapor deposited CH3NH3PbI3 film prepared under un-optimized conditions identifies phase segregated PbI2 and CH3NH3I at the substrate/film interface and unreacted PbI2 and CH3NH3I on the film surface. This analysis also provides the time dependence of the effective thicknesses of perovskite film, unreacted components, and phase segregated layers to track CH3NH3PbI3 decomposition.

  12. Infrared spectrum of the NH4-d(n)+ cation trapped in solid neon.

    Science.gov (United States)

    Jacox, Marilyn E; Thompson, Warren E

    2005-03-01

    The NH4+ cation has been stabilized in solid neon in sufficient concentration for the identification of both of its infrared-active vibrational fundamentals, which appear within a few wavenumbers of the gas-phase band centers. Systematic alteration of the concentrations and positions of introduction of NH3 and H2 in the discharge sampling experiments demonstrated that the highest yield of NH4+ resulted when both the NH3 and the H2 were introduced downstream from a discharge through pure neon. In this configuration, each of these molecules can be ionized by excited neon atoms and their resonance radiation (16.6 eV to 16.85 eV), but fragmentation is minimized. Both infrared-active vibrational fundamentals of ND4+ and several fundamentals of each of the partially deuterium-substituted isotopomers of NH4+ were also identified. Evidence is presented for complexation of NH4+ with an H atom or with one or more H2 molecules.

  13. The NO + NH 3 reaction on Pt(100): steady state and oscillatory kinetics

    Science.gov (United States)

    Lombardo, S. J.; Esch, F.; Imbihl, R.

    The NO + NH 3 reaction was investigated on a Pt(100) surface in the 10 -6 mbar range using Video-LEED, work function measurements and measurements of the product partial pressures of N 2 and H 2O. Sustained kinetic oscillations, as observed in the N 2, H 2O and work function signals, were detected between 425 and 450 K for pNO = 1.1 × 10 -6 mbar and pNH3 = 4.7 × 10 -6 mbar. The dependence of the oscillation period on temperature and on the {p NH 3/ }/{p NO} ratio was determined. In situ LEED measurements demonstrated that oscillations in the reaction rate are coupled to the 1 × 1 ⇄ hex phase transition. Isotopic exchange experiments with 15NO and 14NH 3 showed that depending on the temperature and p {NH 3/ }/{p NO} ratio, significant deviations from a random mixing of 15N and 14N on the surface occur. This is interpreted as indication for an attractive interaction between NO ad and NH xad ( x = 1-3).

  14. Photostriction of CH3NH3PbBr3 Perovskite Crystals

    KAUST Repository

    Wei, Tzu-Chiao

    2017-07-17

    Organic-inorganic hybrid perovskite materials exhibit a variety of physical properties. Pronounced coupling between phonon, organic cations, and the inorganic framework suggest that these materials exhibit strong light-matter interactions. The photoinduced strain of CH3 NH3 PbBr3 is investigated using high-resolution and contactless in situ Raman spectroscopy. Under illumination, the material exhibits large blue shifts in its Raman spectra that indicate significant structural deformations (i.e., photostriction). From these shifts, the photostrictive coefficient of CH3 NH3 PbBr3 is calculated as 2.08 × 10-8 m2 W-1 at room temperature under visible light illumination. The significant photostriction of CH3 NH3 PbBr3 is attributed to a combination of the photovoltaic effect and translational symmetry loss of the molecular configuration via strong translation-rotation coupling. Unlike CH3 NH3 PbI3 , it is noted that the photostriction of CH3 NH3 PbBr3 is extremely stable, demonstrating no signs of optical decay for at least 30 d. These results suggest the potential of CH3 NH3 PbBr3 for applications in next-generation optical micro-electromechanical devices.

  15. Low-temperature SCR of NO with NH3 over activated semi-coke composite-supported rare earth oxides

    Science.gov (United States)

    Wang, Jinping; Yan, Zheng; Liu, Lili; Zhang, Yingyi; Zhang, Zuotai; Wang, Xidong

    2014-08-01

    The catalysts with different rare earth oxides (La, Ce, Pr and Nd) loaded onto activated semi-coke (ASC) via hydrothermal method are prepared for the selective catalytic reduction (SCR) of NO with NH3 at low temperature (150-300 °C). It is evidenced that CeO2 loaded catalysts present the best performance, and the optimum loading amount of CeO2 is about 10 wt%. Composite catalysts by doping La, Pr and Nd into CeO2 are prepared to obtain further improved catalytic properties. The SCR mechanism is investigated through various characterizations, including XRD, Raman, XPS and FT-IR, the results of which indicate that the oxygen defect plays an important role in SCR process and the doped rare earth elements effectively serve as promoters to increase the concentration of oxygen vacancies. It is also found that the oxygen vacancies in high concentration are favored for the adsorption of O2 and further oxidation of NO, which facilitates a rapid progressing of the following reduction reactions. The SCR process of NO with NH3 at low temperature over the catalysts of ASC composite-supported rare earth oxides mainly follows the Langmuir-Hinshlwood mechanism.

  16. Dynamic Growth of Pinhole-Free Conformal CH3NH3PbI3 Film for Perovskite Solar Cells.

    Science.gov (United States)

    Li, Bo; Tian, Jianjun; Guo, Lixue; Fei, Chengbin; Shen, Ting; Qu, Xuanhui; Cao, Guozhong

    2016-02-01

    Two-step dipping is one of the popular low temperature solution methods to prepare organic-inorganic halide perovskite (CH3NH3PbI3) films for solar cells. However, pinholes in perovskite films fabricated by the static growth method (SGM) result in low power conversion efficiency (PCE) in the resulting solar cells. In this work, the static dipping process is changed into a dynamic dipping process by controlled stirring PbI2 substrates in CH3NH3I isopropanol solution. The dynamic growth method (DGM) produces more nuclei and decreases the pinholes during the nucleation and growth of perovskite crystals. The compact perovskite films with free pinholes are obtained by DGM, which present that the big perovskite particles with a size of 350 nm are surrounded by small perovskite particles with a size of 50 nm. The surface coverage of the perovskite film is up to nearly 100%. Such high quality perovskite film not only eliminated pinholes, resulting in reduced charge recombination of the solar cells, but also improves the light harvesting efficiency. As a result, the PCE of the perovskite solar cells is increased from 11% for SGM to 13% for DGM.

  17. Optoelectronic and Photovoltaic Properties of the Air-Stable Organohalide Semiconductor (CH 3 NH 3 ) 3 Bi 2 I 9

    KAUST Repository

    Abulikemu, Mutalifu

    2016-07-14

    Lead halide perovskite materials have shown excellent optoelectronic as well as photovoltaic properties. However, the presence of lead and the chemical instability relegate lead halide perovskites to research applications only. Here, we investigate an emerging lead-free and air stable compound (CH3NH3)3Bi2I9 as a non-toxic potential alternative to lead halide perovskites. We have synthesized thin films, powders and millimeter-scale single crystals of (CH3NH3)3Bi2I9 and investigated their structural and optoelectronic properties. We demonstrate that the degree of crystallinity strongly affects the optoelectronic properties of the material, resulting in significantly different band gaps in polycrystalline thin films and single crystals. Surface photovoltage spectroscopy reveals outstanding photocharge generation in the visible (<700 nm), while transient absorption spectroscopy and space charge limited current measurements point to a long exciton lifetime and a high carrier mobility, respectively, similar to lead halide perovskites, pointing to the remarkable potential of this semiconductor. Photovoltaic devices fabricated using this material yield low power conversion efficiency (PCE) to date, but the PCE is expected to rise with improvements in thin film processing and device engineering.

  18. A rice transient assay system identifies a novel domain in NRR required for interaction with NH1/OsNPR1 and inhibition of NH1-mediated transcriptional activation

    Directory of Open Access Journals (Sweden)

    Chern Mawsheng

    2012-02-01

    Full Text Available Abstract Background Arabidopsis NPR1 is a master regulator of systemic acquired resistance. NPR1 binds to TGA transcription factors and functions as a transcriptional co-activator. In rice, NH1/OsNPR1 functions to enhance innate immunity. NRR disrupts NH1 function, when over-expressed. Results We have established a rice transient protoplast assay to demonstrate that NH1 is a transcriptional co-activator and that NRR represses NH1-mediated activation. We identified three NRR homologues (RH1, RH2, and RH3. RH1 and RH3, but not RH2, also effectively repress NH1-mediated transcriptional activation. NRR, RH1, RH2, and RH3 share sequence similarity in a region beyond the previously identified NPR1-interacting domain. This region is required for strong interaction with NH1. A double point mutation, W66A/F70A, in this novel NH1-interacting domain severely reduces interaction with NH1. Mutation W66A/F70A also greatly reduces the ability of NRR to repress NH1-mediated activation. RH2 carries a deviation (amino acids AV in this region as compared to consensus sequences (amino acids ED among NRR, RH1, and RH3. A substitution (AV to ED in RH2 results in strong binding of mutant RH2ED to NH1 and effective repression of NH1-mediated activation. Conclusions The protoplast-based transient system can be used to dissect protein domains associated with their functions. Our results demonstrate that the ability of NRR and its homologues to repress NH1-mediated transcriptional activation is tightly correlated with their ability to bind to NH1. Furthermore, a sequence is identified as a novel NH1-interacting domain. Importantly, this novel sequence is widely present in plant species, from cereals to castor bean plants, to poplar trees, to Arabidopsis, indicating its significance in plants.

  19. Interaction of NH3 with Cu-SSZ-13 Catalyst: A Complementary FTIR, XANES, and XES Study.

    Science.gov (United States)

    Giordanino, Filippo; Borfecchia, Elisa; Lomachenko, Kirill A; Lazzarini, Andrea; Agostini, Giovanni; Gallo, Erik; Soldatov, Alexander V; Beato, Pablo; Bordiga, Silvia; Lamberti, Carlo

    2014-05-01

    In the typical NH3-SCR temperature range (100-500 °C), ammonia is one of the main adsorbed species on acidic sites of Cu-SSZ-13 catalyst. Therefore, the study of adsorbed ammonia at high temperature is a key step for the understanding of its role in the NH3-SCR catalytic cycle. We employed different spectroscopic techniques to investigate the nature of the different complexes occurring upon NH3 interaction. In particular, FTIR spectroscopy revealed the formation of different NH3 species, that is, (i) NH3 bonded to copper centers, (ii) NH3 bonded to Brønsted sites, and (iii) NH4(+)·nNH3 associations. XANES and XES spectroscopy allowed us to get an insight into the geometry and electronic structure of Cu centers upon NH3 adsorption, revealing for the first time in Cu-SSZ-13 the presence of linear Cu(+) species in Ofw-Cu-NH3 or H3N-Cu-NH3 configuration.

  20. Advection of NH3 over a pasture field and its effect on gradient flux measurements

    Directory of Open Access Journals (Sweden)

    M. A. Sutton

    2009-07-01

    Full Text Available Deposition of atmospheric ammonia (NH3 to semi-natural ecosystems leads to serious adverse effects, such as acidification and eutrophication. A step in quantifying such effects is the measurement of NH3 fluxes over semi-natural and agricultural land. However, measurement of NH3 fluxes over vegetation in the vicinity of strong NH3 sources is challenging, since NH3 emissions are highly heterogeneous. Indeed, under such conditions, local advection errors may alter the measured fluxes. In this study, local advection errors (ΔFz,adv were estimated over a 14 ha grassland field, which was successively cut and fertilised, as part of the GRAMINAE integrated Braunschweig experiment. The magnitude of ΔFz,adv was determined up to 810 m downwind from farm buildings emitting between 6.2 and 9.9 kg NH3 day−1. The GRAMINAE experiment provided a unique opportunity to compare two methods of estimating ΔFz,adv: one inference method based on measurements of horizontal concentration gradients, and one based on inverse dispersion modelling with a two-dimensional model. Two sources of local advection were clearly identified: the farm NH3 emissions leading to positive ΔFz,adv ("bias towards emissions" and field NH3 emissions, which led to a negative ΔFz,adv ("bias towards deposition". The local advection flux from the farm was in the range 0 to 27 ng NH3 m−2 s−1 at 610 m from the farm, whereas ΔFz,adv due to field emission was proportional to the local flux, and ranged between −209 and 13 ng NH3 m−2 s−1. The local advection flux ΔFz,adv was either positive or negative depending on the magnitude of these two contributions. The modelled and inferred advection errors agreed well. The inferred advection errors, relative to the vertical flux at 1 m height, were 52% on average, before the field was cut, and less than 2.1% when the field was fertilised. The variability of the advection errors in response to changes in micrometeorological conditions is also

  1. On the Role of Interfaces in Planar-Structured HC(NH2 )2 PbI3 Perovskite Solar Cells.

    Science.gov (United States)

    Seol, Dong-Jin; Lee, Jin-Wook; Park, Nam-Gyu

    2015-07-20

    Planar-structured HC(NH2 )2 PbI3 (FAPbI3 ) perovskite solar cells were prepared via a two-step deposition process. To investigate the role of interface, the perovskite morphology was intentionally modified by varying HC(NH2 )2 I concentration. Surface and grain sizes of the deposited FAPbI3 became rougher and larger as the HC(NH2 )2 I concentration decreased from 58.2 to 40.7 mM. Average photocurrent was improved but photovoltage deteriorated slightly with decreasing concentration. Consequently, the average efficiency was improved from 7.82 % to 10.70 % and the best efficiency of 12.17 % was obtained at 40.7 mM. Photoluminescence (PL) at TiO2 /FAPbI3 interface was reduced with decreasing concentration, which was, however, reversed at FAPbI3 /spiro-MeOTAD one. By correlating PL data and the photovoltaic performance, we concluded that the TiO2 /perovskite interface plays a crucial role in determining photocurrent while the perovskite/spiro-MeOTAD interface is important in governing photovoltage.

  2. A novel co-precipitation method for preparation of Mn--Ce/TiO2 composites for NOx reduction with NH3 at low temperature.

    Science.gov (United States)

    Sheng, Zhongyi; Hu, Yufeng; Xue, Jianming; Wang, Xiaoming; Liao, Weiping

    2012-01-01

    Mn--Ce/TiO2 catalyst prepared by a novel co-precipitation method was used in this study for low-temperature selective catalytic reduction (SCR) of NOx with ammonia. The catalyst showed high activity and good SO2 resistance. The NO conversion on the catalyst increased to 100% when 700 ppm of SO2 flowed in, and reached 60.8% in 2.5 h. The characterized results indicated that the catalyst prepared by the new method had good dispersion of the active phase, uniform micro-size particles and large Brunauer-Emmett-Teller surface. The temperature programmed reduction and temperature programmed desorption experiments showed that the improvement in SCR activity on the Mn--Ce/TiO2 catalyst might be due to the increase of active oxygen species and the enhancement of NH3 chemisorption, both of which were conducive to NH3 activation.

  3. Investigation of the Performance of HEMT-Based NO, NO2 and NH3 Exhaust Gas Sensors for Automotive Antipollution Systems

    Science.gov (United States)

    Halfaya, Yacine; Bishop, Chris; Soltani, Ali; Sundaram, Suresh; Aubry, Vincent; Voss, Paul L.; Salvestrini, Jean-Paul; Ougazzaden, Abdallah

    2016-01-01

    We report improved sensitivity to NO, NO2 and NH3 gas with specially-designed AlGaN/GaN high electron mobility transistors (HEMT) that are suitable for operation in the harsh environment of diesel exhaust systems. The gate of the HEMT device is functionalized using a Pt catalyst for gas detection. We found that the performance of the sensors is enhanced at a temperature of 600 °C, and the measured sensitivity to 900 ppm-NO, 900 ppm-NO2 and 15 ppm-NH3 is 24%, 38.5% and 33%, respectively, at 600 °C. We also report dynamic response times as fast as 1 s for these three gases. Together, these results indicate that HEMT sensors could be used in a harsh environment with the ability to control an anti-pollution system in real time. PMID:26907298

  4. Investigation of the Performance of HEMT-Based NO, NO2 and NH3 Exhaust Gas Sensors for Automotive Antipollution Systems

    Directory of Open Access Journals (Sweden)

    Yacine Halfaya

    2016-02-01

    Full Text Available We report improved sensitivity to NO, NO2 and NH3 gas with specially-designed AlGaN/GaN high electron mobility transistors (HEMT that are suitable for operation in the harsh environment of diesel exhaust systems. The gate of the HEMT device is functionalized using a Pt catalyst for gas detection. We found that the performance of the sensors is enhanced at a temperature of 600 °C, and the measured sensitivity to 900 ppm-NO, 900 ppm-NO 2 and 15 ppm-NH 3 is 24%, 38.5% and 33%, respectively, at 600 °C. We also report dynamic response times as fast as 1 s for these three gases. Together, these results indicate that HEMT sensors could be used in a harsh environment with the ability to control an anti-pollution system in real time.

  5. Silver separation by using Na2SO3 and NH3%用Na2SO3与NH3分银实验研究

    Institute of Scientific and Technical Information of China (English)

    张小林; 李伟; 宁瑞

    2014-01-01

    This paper studies the silver separation by using Na2SO3 and NH3 out of gold dregs chlorination in the anode slime treatment process. The effects of Na 2SO3 amount, pH, time on the silver separation effects, and the effects of formaldehyde reduction temperature, pH on the reduction rate are researched. We also investigates the effects of NH3 concentration, time on silver separation results and the effects of hydrazine hydrate amount, time and temperature on silver reduction rate. The results show that separating silver of Na2SO3-reduced by using formaldehyde, when the amount of Na 2SO3 is 1.3 times of the theoretical amount, pH is 9.2, and the leaching time is 4 h, the silver recovery rate can be up to 97.39 %, while the amount of formaldehyde (formaldehyde∶Ag=1∶2.5 ), pH is 10.5, the temperature is 30~40 ℃, reacted 4 h, the silver reduction rate can be up to 96.33 %; Separating silver of NH 3-reduced by using hydrazine hydrate, when the concentration of NH3 between 8 % to 10 %,and temperature is at room temperature, the reaction time is 4 h, the silver leaching rate can be up to 96.23 %, when the amount of hydrazine hydrate is 2 times of the theoretical amount, temperature is 60 ℃, restored 0.5 h, silver reduction rate can be up to 98.1%.%介绍了阳极泥处理过程中,氯化分金渣用Na2SO3分银与NH3分银的工艺过程;研究了Na2SO3分银Na2SO3用量、pH、时间对分银效果的影响,以及甲醛还原温度、pH对银还原率的影响,以及NH3分银NH3浓度、时间对分银效果的影响,并对水合肼还原时水合肼用量、时间、温度对银还原率进行了研究.结果表明,用Na2SO3分银-甲醛还原,当Na2SO3的用量为理论量1.3倍,pH 值为9.2,浸出时间4 h时,银浸出率可达97.39%,当甲醛用量为(甲醛∶银=1∶2.5),pH值为10.5,反应4 h,温度为30~40℃时,银还原率可达96.33%;用NH3分银-水合肼还原,当NH3浓度为8%~10%,温度

  6. Tunable far infrared laser spectroscopy of van der Waals bonds: Ar-NH sub 3

    Energy Technology Data Exchange (ETDEWEB)

    Gwo, Dz-Hung (Lawrence Berkeley Lab., CA (USA) California Univ., Berkeley, CA (USA). Dept. of Chemistry)

    1989-11-01

    Hyperfine resolved vibration-rotation-tunneling spectra of Ar--NH{sub 3} and (NH{sub 3}){sub 2}, generated in a planar supersonic jet, have been measured with the Berkeley tunable far infrared laser spectrometer. Among the seven rotationally assigned bands, one band belongs to Ar--NH{sub 3}, and the other six belong to (NH{sub 3}){sub 2}. To facilitate the intermolecular vibrational assignment for Ar--NH{sub 3}, a dynamics study aided by a permutation-inversion group theoretical treatment is performed on the rovibrational levels. The rovibrational quantum number correlation between the free internal rotor limit and the semi-rigid limit is established to provide a basic physical picture of the evolution of intermolecular vibrational component states. An anomalous vibronically allowed unique Q branch vibrational band structure is predicted to exist for a near prolate binary complex containing an inverting subunit. According to the model developed in this work, the observed band of Ar--NH{sub 3} centered at 26.470633(17) cm{sup {minus}1} can correlate only to either the fundamental dimeric stretching band for the A{sub 2} states with the NH{sub 3} inversional quantum number v{sub i} = 1, or the K{sub a} = 0 {l arrow} 0 subband of the lowest internal-rotation-inversion difference band. Although the estimated nuclear quadrupole coupling constant favors a tentative assignment in terms of the first possibility, a definitive assignment will require far infrared data and a dynamical model incorporating a potential surface.

  7. The application of EDTA in drug delivery systems: doxorubicin liposomes loaded via NH4EDTA gradient

    Directory of Open Access Journals (Sweden)

    Song YZ

    2014-08-01

    Full Text Available Yanzhi Song,1 Zhenjun Huang,1 Yang Song,2 Qingjing Tian,1 Xinrong Liu,1 Zhennan She,1 Jiao Jiao,1 Eliza Lu,3 Yihui Deng11College of Pharmacy, Shenyang Pharmaceutical University, Shenyang, People’s Republic of China; 2Jiangsu Hansoh Pharmaceutical Co., Ltd., Lianyungang, People’s Republic of China; 3Livzon Mabpharm Inc., Zhuhai, People’s Republic of ChinaAbstract: The applications of ethylenediaminetetraacetic acid (EDTA have been expanded from the treatment of heavy metal poisoning to chelation therapies for atherosclerosis, heart disease, and cancers, in which EDTA reduces morbidity and mortality by chelating toxic metal ions. In this study, EDTA was used in a drug delivery system by adopting an NH4EDTA gradient method to load doxorubicin into liposomes with the goal of increasing therapeutic effects and decreasing drug-related cytotoxicity. The particle size of the optimum NH4EDTA gradient liposomes was 79.4±1.87 nm, and the entrapment efficiency was 95.54%±0.59%. In vitro studies revealed that liposomes prepared using an NH4EDTA gradient possessed long-term stability and delayed drug release. The in vivo studies also showed the superiority of the new doxorubicin formulation. Compared with an equivalent drug dose (5 mg/kg prepared by (NH42SO4 gradient, NH4EDTA gradient liposomes showed no significant differences in tumor inhibition ratio, but cardiotoxicity and liposome-related immune organ damage were lower, and no drug-related deaths were observed. These results show that use of the NH4EDTA gradient method to load doxorubicin into liposomes could significantly reduce drug toxicity without influencing antitumor activity.Keywords: NH4EDTA, liposome, doxorubicin, ion gradient, antitumor activity, toxicity

  8. MARVEL analysis of the measured high-resolution spectra of 14NH3

    Science.gov (United States)

    Al Derzi, Afaf R.; Furtenbacher, Tibor; Tennyson, Jonathan; Yurchenko, Sergei N.; Császár, Attila G.

    2015-08-01

    Accurate, experimental rotational-vibrational energy levels and line positions, with associated labels and uncertainties, are reported for the ground electronic state of the symmetric-top 14NH3 molecule. All levels and lines are based on critically reviewed and validated high-resolution experimental spectra taken from 56 literature sources. The transition data are in the 0.7-17 000 cm-1 region, with a large gap between 7000 and 15 000 cm-1. The MARVEL (Measured Active Rotational-Vibrational Energy Levels) algorithm is used to determine the energy levels. Out of the 29 450 measured transitions 10 041 and 18 947 belong to ortho- and para-14NH3, respectively. A careful analysis of the related experimental spectroscopic network (SN) allows 28 530 of the measured transitions to be validated, 18 178 of these are unique, while 462 transitions belong to floating components. Despite the large number of spectroscopic measurements published over the last 80 years, the transitions determine only 30 vibrational band origins of 14NH3, 8 for ortho- and 22 for para-14NH3. The highest J value, where J stands for the rotational quantum number, for which an energy level is validated is 31. The number of experimental-quality ortho- and para-14NH3 rovibrational energy levels is 1724 and 3237, respectively. The MARVEL energy levels are checked against ones in the BYTe first-principles database, determined previously. The lists of validated lines and levels for 14NH3 are deposited in the Supporting Information to this paper. Combination of the MARVEL energy levels with first-principles absorption intensities yields a huge number of experimental-quality rovibrational lines, which should prove to be useful for the understanding of future complex high-resolution spectroscopy on 14NH3; these lines are also deposited in the Supporting Information to this paper.

  9. Acetate Salts as Nonhalogen Additives To Improve Perovskite Film Morphology for High-Efficiency Solar Cells.

    Science.gov (United States)

    Wu, Qiliang; Zhou, Pengcheng; Zhou, Weiran; Wei, Xiangfeng; Chen, Tao; Yang, Shangfeng

    2016-06-22

    A two-step method has been popularly adopted to fabricate a perovskite film of planar heterojunction organo-lead halide perovskite solar cells (PSCs). However, this method often generates uncontrollable film morphology with poor coverage. Herein, we report a facile method to improve perovskite film morphology by incorporating a small amount of acetate (CH3COO(-), Ac(-)) salts (NH4Ac, NaAc) as nonhalogen additives in CH3NH3I solution used for immersing PbI2 film, resulting in improved CH3NH3PbI3 film morphology. Under the optimized NH4Ac additive concentration of 10 wt %, the best power conversion efficiency (PCE) reaches 17.02%, which is enhanced by ∼23.2% relative to that of the pristine device without additive, whereas the NaAc additive does not lead to an efficiency enhancement despite the improvement of the CH3NH3PbI3 film morphology. SEM study reveals that NH4Ac and NaAc additives can both effectively improve perovskite film morphology by increasing the surface coverage via diminishing pinholes. The improvement on CH3NH3PbI3 film morphology is beneficial for increasing the optical absorption of perovskite film and improving the interfacial contact at the perovskite/spiro-OMeTAD interface, leading to the increase of short-circuit current and consequently efficiency enhancement of the PSC device for NH4Ac additive only.

  10. Structures and phases transition in hexylenediammonium pentachlorobismuthate (III) [NH{sub 3}(CH{sub 2}){sub 6}NH{sub 3}]BiCl{sub 5} crystal

    Energy Technology Data Exchange (ETDEWEB)

    Ouasri, A., E-mail: aouasri@yahoo.fr [Equipe de Physico-Chimie des Matériaux Inorganiques, Université Ibn Tofail, Faculté des Sciences, B. P. 133, Kenitra 14000 (Morocco); Département de Physique-Chimie, Centre Régional des Métiers de l' Education, et de la Formation, Souissi Rabat (Morocco); Jeghnou, H.; Rhandour, A. [Equipe de Physico-Chimie des Matériaux Inorganiques, Université Ibn Tofail, Faculté des Sciences, B. P. 133, Kenitra 14000 (Morocco); Roussel, P. [Unité de Catalyse et de Chimie du Solide, CNRS UMR 8181 (Equipe de Chimie du Solide), ENSCL, USTL, VILLENEUVE D' ASCQ Cedex 59655 (France)

    2013-04-15

    The crystal structure of [NH{sub 3}(CH{sub 2}){sub 6}NH{sub 3}]BiCl{sub 5} was determined at: 223 K [P2{sub 1}2{sub 1}2{sub 1} (Z=4), a=7.788(1), b=13.886(2), c=13.972(2) Å], 308 K [P2{sub 1}/n (Z=8), a=19.972(3), b=7.772(2), c=20.166(3) Å, β=92.32(1)°] and 378 K [Pnma (Z=4), a=13911(2), b=7.834(7), c=14.457(2) Å]. It was consisted of isolated (BiCl{sub 5}{sup 2−}){sub n} anionic chains composed by distorted octahedra BiCl{sub 6}{sup 3−} sharing two corners and {sup +}NH{sub 3}(CH{sub 2}){sub 6}NH{sub 3}{sup +} cations placed in the free cavities between anionic chains. In the β phase, there are two crystallographically inequivalent cations and two one-dimensional anionic chains (BiCl{sub 5}{sup 2−}){sub n} in which BiCl{sub 6}{sup 3−} octahedra was doubly tilted and simply tilted. Two structural phase transitions at low and high temperatures α (P2{sub 1}2{sub 1}2{sub 1}, 223 K)↔β (P2{sub 1}/n, 308 K)↔γ (Pnma, 373 K) are observed and discussed. It was crystallographically showed that both anionic and cationic entities contribute to phase transitions mechanisms. The BiCl{sub 6}{sup 3−} octahedra were found to posses significant distortions on decreasing temperature and became more distorted in α (223 K) phase. It is argued that these deformations are caused by weak to moderate N--H···Cl hydrogen bonding. - Graphical abstract: Projection of the crystal structure of [NH{sub 3}(CH{sub 2}){sub 6}NH{sub 3}]BiCl{sub 5} down the a axis at 208 K. Highlights: ► The crystal shows two phase transitions: α(223 K)↔β(308 K)↔γ(373 K). ► A discontinuous transition may be occurred between α and β phases. ► The α↔β and β↔γ phase transitions are of first order. ► Both anionic and cationic motions contribute to phase transition mechanisms. ► The BiCl{sub 6}{sup 3−} octahedra showed significant distortions on decreasing temperature.

  11. Photoelectric characteristics of CH3NH3PbI3/p-Si heterojunction

    Science.gov (United States)

    Yamei, Wu; Ruixia, Yang; Hanmin, Tian; Shuai, Chen

    2016-05-01

    Organic-inorganic hybrid perovskite CH3NH3PbI3 film is prepared on p-type silicon substrate using the one-step solution method to form a CH3NH3PbI3/p-Si heterojunction. The film morphology and structure are characterized by atomic force microscopy (AFM) and scanning electron microscopy (SEM). The photoelectric properties of the CH3NH3PbI3/p-Si heterojunction are studied by testing the current-voltage (I-V) with and without illumination and capacitance-voltage (C-V) characteristics. It turns out from the I-V curve without illumination that the CH3NH3PbI3/p-Si heterojunction has a rectifier feature with the rectification ratio over 70 at the bias of ±5 V. Also, there appears a photoelectric conversion phenomenon on this heterojunction with a short circuit current (Isc) of 0.16 μA and an open circuit voltage (Voc) of about 10 mV The high frequency C-V characteristic of the Ag/CH3NH3PbI3/p-Si heterojunction turns out to be similar to that of the metal-insulator-semiconductor (MIS) structure, and a parallel translation of the C-V curve along the forward voltage axis is found. This parallel translation means the existence of defects at the CH3NH3PbI3/p-Si interface and positive fixed charges in the CH3NH3PbI3 layer. The defects at the interface of the CH3NH3PbI3/p-Si heterojunction result in the dramatic decline of the Voc. Besides, the C-V test of CH3NH3PbI3 film shows a non-linear dielectric property and the dielectric value is about 4.64 as calculated. Project supported by the Hebei Province Natural Science Foundation of China (No. F2014202184) and the Tianjin Natural Science Foundation of China (No. 15JCZDJC37800).

  12. 利用原位红外光谱研究钙钛矿复合半导体CH3 NH3 PbI3的稳定性%Investigation on Stability of Perovskite Semiconductor CH3 NH3 PbI3 by In-situ FTIR Spectroscopy

    Institute of Scientific and Technical Information of China (English)

    刘阳; 付现伟; 赵天宇; 廉刚; 董宁; 宋思德; 王琪珑; 崔得良

    2016-01-01

    Perovskite hybrid semiconductors CH3NH3PbX3(X=Cl, Br, I) have attracted much interests of the chemists and material scientists due to their advantages including facile preparation, low cost and excellent optoelectronic properties. However, the poor stability of these hybrid semiconductors severely frustrated their practical applications, thus it is very important to investigate their decomposition process and explore the new route to improve their stability. Here we investigated the thermal decomposition process of CH3 NH3 PbI3 using an in-situ Fourier transformation infrared( FTIR) spectrometer. It was found that the stability of CH3 NH3 PbI3 was rather sensitive to the existence of oxygen, it began to decompose at 150 ℃ when 1%( volume fraction) oxygen was introduced into the nitrogen atmosphere. In comparison, its decomposition temperature strikingly increased to 250 ℃ when it was heated in pure nitrogen of atmospheric pressure. It was rather surprising that the decomposition temperature of CH3 NH3 PbI3 further increased to 270 ℃ when the pressure of nitrogen in-creased to 4. 0 MPa. This phenomenon reveals that the thermal stability of CH3 NH3 PbX3 should be greatly im-proved by applying an even high pressure, thus the post-treatment of photovoltaic devices could be performed at much higher temperature and even better performance can be anticipated.%利用高压原位红外光谱法实时跟踪监测了CH3 NH3 PbI3在高压氮气以及不同含量氧气气氛中加热时的变化规律.发现CH3 NH3 PbI3对氧气十分敏感,当氮气中含有1%(体积分数)的氧气时, CH3 NH3 PbI3加热到150益发生分解;继续提高氧气含量到21%,温度升高到100益时CH3 NH3 PbI3即发生分解;若在常压高纯氮气中加热,其分解温度则能提高到250益;若将氮气压力提高到4.0 MPa, CH3 NH3 PbI3的分解温度进一步提高到270益.实验结果表明,提高压力和减少环境中的氧含量是改善钙钛矿复合半导体稳定

  13. NH 3 soil and soil surface gas measurements in a triticale wheat field

    Science.gov (United States)

    Neftel, A.; Blatter, A.; Gut, A.; Högger, D.; Meixner, F.; Ammann, C.; Nathaus, F. J.

    We present a new approach for a continuous determination of NH 3 concentration in the open pore space of the soil and on the soil surface. In a semi-permeable membrane of 0.5 m length a flow of 0.5 s1pm maintained. In the tube the NH 3 concentration adjusts itself to the surrounding air concentration by diffusion through the membrane. Continuous measurements have been performed in a triticale wheat field over a period of several weeks in a field experiment at Bellheim (FRG) during June and July 1995 within the frame of the European program EXAMINE (Exchange of Atmospheric Ammonia with European Ecosystems). Soil concentrations are generally below the detection limit of 0.1 μg m -3. We conclude, that the investigated soil is generally a sink for NH 3. The NH 3 concentration on the soil surface shows a diurnal variation due to a combination of physico-chemical desorption and adsorption phenomena associated with changes in wetness of the surrounding surfaces and the NH 3 concentration in the canopy.

  14. Visible blind ultraviolet photodetector based on CH3NH3PbCl3 thin film.

    Science.gov (United States)

    Wang, Wenzhen; Xu, Haitao; Cai, Jiang; Zhu, Jiabin; Ni, Chaowei; Hong, Feng; Fang, Zebo; Xu, Fuzong; Cui, Siwei; Xu, Run; Wang, Linjun; Xu, Fei; Huang, Jian

    2016-04-18

    We report a prototypical device of CH3NH3PbCl3 film ultraviolet photodetectors that were fabricated with a coplanar metal-semiconductor-metal Au interdigital electrode configuration. Pure phase CH3NH3PbCl3 films with a good crystallinity were formed by a hybrid sequential deposition process featured with inter-diffusion of PbCl2 and CH3NH3Cl upon annealing. The CH3NH3PbCl3 film photodetector exhibits a high responsivity of 7.56 A /W at 360 nm, a ultraviolet/visible rejection ratio (R360 nm/R500 nm) was about two orders of magnitude and fast response speed with a rising time of 170 μs and a decay time of 220 μs. All the above results demonstrate CH3NH3PbCl3 film photodetector as a competitive candidate in the application of visible blind UV detectors.

  15. Electric polarization of CH3NH3PbI3 and enhancement by Cl substitution

    Science.gov (United States)

    Yan, Wen-Li; Lu, Guang-Hong; Liu, Feng

    As a prototype of organic-inorganic hybrid perovskite, CH3NH3PbI3 has attracted extensive attention recently due to its applications in high power-conversion-efficiency solar cells. In comparison with its inorganic perovskite counterparts such as CsPbI3, the organic cation CH3NH3+ is expected to play multiple important roles in distorting crystal structures and thus band structures as well as creating local electrically polarized domains to help separate charge carriers. Using first-principles method and berry phase theory, the electric polarization vectors of CH3NH3PbI3 have been calculated. The off-center displacement of Pb within the PbI6 octahedral is shown to introduce major intrinsic polarization, with additional contributions from off-center displacement of CH3NH3+ within PbI3 cage and charge polarization within the organic cation. With chlorine substitution of iodine, the electronegativity difference between halogen and Pb becomes larger, and the lattice distortion and hence the electric polarization increases, which provides a possible mechanism to further assist charge carrier separation in solar cell devices. This is consistent with enhanced photovoltaics properties of CH3NH3PbI3-xClx found in recent experiments. This work is supported by China Scholarship Council (Grant No. 201306020117) and US DOE-BES (Grant No. DE-FG02-04ER46148).

  16. Role of the NH2 -terminal fragment of dentin sialophosphoprotein in dentinogenesis.

    Science.gov (United States)

    Gibson, Monica P; Liu, Qilin; Zhu, Qinglin; Lu, Yongbo; Jani, Priyam; Wang, Xiaofang; Liu, Ying; Paine, Michael L; Snead, Malcolm L; Feng, Jian Q; Qin, Chunlin

    2013-04-01

    Dentin sialophosphoprotein (DSPP) is a large precursor protein that is proteolytically processed into a NH2 -terminal fragment [composed of dentin sialoprotein (DSP) and a proteoglycan form (DSP-PG)] and a COOH-terminal fragment [dentin phosphoprotein (DPP)]. In vitro studies indicate that DPP is a strong initiator and regulator of hydroxyapatite crystal formation and growth, but the role(s) of the NH2 -terminal fragment of DSPP (i.e., DSP and DSP-PG) in dentinogenesis remain unclear. This study focuses on the function of the NH2 -terminal fragment of DSPP in dentinogenesis. Here, transgenic (Tg) mouse lines expressing the NH2 -terminal fragment of DSPP driven by a 3.6-kb type I collagen promoter (Col 1a1) were generated and cross-bred with Dspp null mice to obtain mice that express the transgene but lack the endogenous Dspp (Dspp KO/DSP Tg). We found that dentin from the Dspp KO/DSP Tg mice was much thinner, more poorly mineralized, and remarkably disorganized compared with dentin from the Dspp KO mice. The fact that Dspp KO/DSP Tg mice exhibited more severe dentin defects than did the Dspp null mice indicates that the NH2 -terminal fragment of DSPP may inhibit dentin mineralization or may serve as an antagonist against the accelerating action of DPP and serve to prevent predentin from being mineralized too rapidly during dentinogenesis.

  17. Effects of NH3 on N2O Formation and Destruction in Fluidized Bed Coal Combustion

    Institute of Scientific and Technical Information of China (English)

    JianWeiYuan; BoFeng; 等

    1994-01-01

    The NH3 oxidation and reduction process are experimentally and kinetically studied in this paper,It is found that NH3 has contributions not only to N2O formation,but also to N2O destruction in certain conditions.The main product of homogeneous NH3 oxidation is found to be NO rather than N2O,but some bed materials and suplhur sorbents have catalytic contributions to N2O formation from NH3 oxidation.In reduction atmosphere,NH3 can promote the KC destruction.It is deduced that the ammonia injection into fluidized bed coal combustion flue gas can decrease both NOx and N2O emissions.The ammonia injection process is kinetically simulated in this study,and the reduction.rates of NOx and N2O are found to depend on temperature,O2 concentration,initial NOx and N2O concentrations,and amount of injected ammonia.

  18. Low and room temperature photoabsorption cross sections of NH3 in the UV region

    Science.gov (United States)

    Chen, F. Z.; Judge, D. L.; Wu, C. Y. R.; Caldwell, J.

    1998-12-01

    Using synchrotron radiation as a continuum light source, we have measured the absolute absorption cross sections of NH3 with a spectral bandwidth (FWHM) of 0.5 Å. The photoabsorption cross sections of NH3 have been measured from 1750 to 2250 Å under temperature conditions of 295, 195, and 175 K. Significant temperature effects in the absorption threshold region which are mainly due to the presence of hot band absorption are observed. The cross section value at peaks and valleys for the vibrational progressions of the (0,0) to (4,0) bands vary between -80% and +40% as the temperature of NH3 changes from 295 to 175 K. In contrast to this, the changes of cross section values, Pc,T, are found to vary less than 20% for the (v', 0) vibrational progressions with v' >= 5. The measured separations between the doublet features of the (0,0), (1,0), and (2,0) bands are found to decrease as the temperature of NH3 decreases. The shifts of peak positions of Pc,T with respect to the corresponding room temperature absorption peaks show a sudden change at v' = 3 which appears to agree with the trend observed in the homogeneous line widths of the vibrational bands of NH3 ([Vaida et al., 1987]; [Ziegler, 1985]; [Ziegler, 1986]). The unusual behavior of the line widths has been attributed to the A~ state potential surface which has a dissociation barrier.

  19. Enhanced PEDOT adhesion on solid substrates with electrografted P(EDOT-NH2)

    Science.gov (United States)

    Ouyang, Liangqi; Wei, Bin; Kuo, Chin-chen; Pathak, Sheevangi; Farrell, Brendan; Martin, David C.

    2017-01-01

    Conjugated polymers, such as poly(3,4-ethylene dioxythiophene) (PEDOT), have emerged as promising materials for interfacing biomedical devices with tissue because of their relatively soft mechanical properties, versatile organic chemistry, and inherent ability to conduct both ions and electrons. However, their limited adhesion to substrates is a concern for in vivo applications. We report an electrografting method to create covalently bonded PEDOT on solid substrates. An amine-functionalized EDOT derivative (2,3-dihydrothieno[3,4-b][1,4]dioxin-2-yl)methanamine (EDOT-NH2), was synthesized and then electrografted onto conducting substrates including platinum, iridium, and indium tin oxide. The electrografting process was performed under slightly basic conditions with an overpotential of ~2 to 3 V. A nonconjugated, cross-linked, and well-adherent P(EDOT-NH2)–based polymer coating was obtained. We found that the P(EDOT-NH2) polymer coating did not block the charge transport through the interface. Subsequent PEDOT electrochemical deposition onto P(EDOT-NH2)–modified electrodes showed comparable electroactivity to pristine PEDOT coating. With P(EDOT-NH2) as an anchoring layer, PEDOT coating showed greatly enhanced adhesion. The modified coating could withstand extensive ultrasonication (1 hour) without significant cracking or delamination, whereas PEDOT typically delaminated after seconds of sonication. Therefore, this is an effective means to selectively modify microelectrodes with highly adherent and highly conductive polymer coatings as direct neural interfaces. PMID:28275726

  20. A Complete Survey of the Central Molecular Zone in NH3

    CERN Document Server

    Nagayama, Takumi; Handa, Toshihiro; Iahak, Hayati Bebe Hajra; Sawada, Tsuyoshi; Miyaji, Takeshi; Koyama, Yasuhiro

    2007-01-01

    We present a map of the major part of the central molecular zone (CMZ) of simultaneous observations in the NH3 (J,K) = (1,1) and (2,2) lines using the Kagoshima 6-m telescope. The mapped area is -1.000 80 K contain 75% and 25% of the total NH3 flux, respectively. These temperatures indicate that the dense molecular gas in the CMZ is dominated by gas that is warmer than the majority of the dust present there. A comparison with the CO survey by Sawada et al. (2001) shows that the NH3 emitting region is surrounded by a high pressure region on the l-v plane. Although NH3 emission traces dense gas, it is not extended into a high pressure region. Therefore, the high pressure region is less dense and has to be hotter. This indicates that the molecular cloud complex in the Galactic center region has a ``core'' of dense and warm clouds which are traced by the NH3 emission, and an ``envelope'' of less dense and hotter gas clouds. Besides heating by ambipolar diffusion, the hot plasma gas emitting the X-ray emission ma...

  1. Intramolecular SN2 reaction caused by photoionization of benzene chloride-NH3 complex: direct ab initio molecular dynamics study.

    Science.gov (United States)

    Tachikawa, Hiroto

    2006-01-12

    Ionization processes of chlorobenzene-ammonia 1:1 complex (PhCl-NH3) have been investigated by means of full dimensional direct ab initio molecular dynamics (MD) method, static ab initio calculations, and density functional theory (DFT) calculations. The static ab initio and DFT calculations of neutral PhCl-NH3 complex showed that one of the hydrogen atoms of NH3 orients toward a carbon atom in the para-position of PhCl. The dynamics calculation for ionization of PhCl-NH3 indicated that two reaction channels are competitive with each other as product channels: one is an intramolecular SN2 reaction expressed by a reaction scheme [PhCl-NH3]+-->SN2 intermediate complex-->PhNH3++Cl, and the other is ortho-NH3 addition complex (ortho complex) in which NH3 attacks the ortho-carbon of PhCl+ and the trajectory leads to a bound complex expressed by (PhCl-NH3)+. The mechanism of the ionization of PhCl-NH3 is discussed on the basis of the theoretical results.

  2. Sensitive measurement of NH4+ 15N/14N (delta 15NH4+) at natural abundance levels in fresh and saltwaters.

    Science.gov (United States)

    Zhang, Lin; Altabet, Mark A; Wu, Taixing; Hadas, Ora

    2007-07-15

    We report a new method for determining the 15N/14N of NH4+ at natural abundance level in both freshwater and seawater. NH4+ is first quantitatively oxidized to NO2- by hypobromite (BrO-) at pH approximately 12. After the addition of sodium arsenite to consume excess BrO-, yield is verified by colorimetric NO2- determination. NO2- is further reduced to N2O using a 1:1 sodium azide and acetic acid buffer solution using previously established procedures. The product N2O is then analyzed for isotopic composition using a continuous flow purge and cryogenic trap system coupled to an isotope ratio mass spectrometer. Reliable delta 15N values (standard deviation is 0.3 per thousand or better) are obtained over an NH4+ concentration range of 0.5-10 microM using 20 mL volumes of either freshwater or seawater samples. Higher concentration samples are readily diluted to lower concentration. Preexisting NO2- is removed by treatment with sulfanilic acid. There is no interference from any of the nitrogen-containing compounds tested except short-chain aliphatic amino acids (i.e., glycine) which typically are present at very low environmental concentrations. As compared to published methods, our approach is more robust, readily applicable at low concentrations and small sample volumes, and requires less time for preparation and analysis.

  3. Perovskite metal formate framework of [NH2-CH(+)-NH2]Mn(HCOO)3]: phase transition, magnetic, dielectric, and phonon properties.

    Science.gov (United States)

    Mączka, Mirosław; Ciupa, Aneta; Gągor, Anna; Sieradzki, Adam; Pikul, Adam; Macalik, Bogusław; Drozd, Marek

    2014-05-19

    We report the synthesis, crystal structure, and thermal, dielectric, phonon, and magnetic properties of [NH2-CH(+)-NH2][Mn(HCOO)3] (FMDMn). The anionic framework of [(Mn(HCOO)3(-)] is counterbalanced by formamidinium (FMD(+)) cations located in the cavities of the framework. These cations form extensive N-H···O hydrogen bonding with the framework. The divalent manganese ions have octahedral geometry and are bridged by the formate in an anti-anti mode of coordination. We have found that FMDMn undergoes a structural phase transition around 335 K. According to the X-ray diffraction, the compound shows R3̅c symmetry at 355 K and C2/c symmetry at 295 and 110 K. The FMD(+) cations are dynamically disordered in the high-temperature phase, and the disorder leads to very large bandwidths of Raman and IR bands corresponding to vibrations of the NH2 groups. Temperature-dependent studies show that the phase transition in FMDMn is associated with ordering of the FMD(+) cations. Detailed analysis shows, however, that these cations still exhibit some reorientational motions down to about 200 K. The ordering of the FMD(+) cations is associated with significant distortion of the anionic framework. On the basis of the magnetic data, FMDMn is a weak ferromagnet with the critical temperature Tc = 8.0 K.

  4. Nature of phase transitions in ammonium oxofluorovanadates, a vibrational spectroscopy study of (NH4)3VO2F4 and (NH4)3VOF5

    Science.gov (United States)

    Gerasimova, Yu. V.; Oreshonkov, A. S.; Laptash, N. M.; Vtyurin, A. N.; Krylov, A. S.; Shestakov, N. P.; Ershov, A. A.; Kocharova, A. G.

    2017-04-01

    Two ammonium oxofluorovanadates, (NH4)3VO2F4 and (NH4)3VOF5, have been investigated by temperature-dependent infrared and Raman spectroscopy methods to determine the nature of phase transitions (PT) in these compounds. Dynamics of quasioctahedral groups was simulated within the framework of semi-empirical approach, which justified the cis-conformation of VO2F43 - (C2v) and the C4v geometry of VOF53 -. The observed infrared and Raman spectra of both compounds at room temperature (RT) revealed the presence at least of two crystallographically independent octahedral groups. The first order PT at elevated temperatures is connected with a complete dynamic disordering of these groups with only single octahedral state. At lower temperatures, the octahedra are ordered and several octahedral states appear. This PT is the most pronounced in the case of (NH4)3VOF5, when at least seven independent VOF53 - octahedra are present in the structure below 50 K, in accordance with the Raman spectra. Ammonium groups do not take part in PTs at higher and room temperatures but their reorientational motion freezes at lower temperatures.

  5. Heterolytic cleavage of ammonia N-H bond by bifunctional activation in silica-grafted single site Ta(V) imido amido surface complex. Importance of the outer sphere NH3 assistance

    KAUST Repository

    Gouré, Eric

    2011-01-01

    Ammonia N-H bond is cleaved at room temperature by the silica-supported tantalum imido amido complex [(≡SiO)2Ta(NH)(-NH2)], 2, if excess ammonia is present, but requires 150 °C to achieve the same reaction if only one equivalent NH3 is added to 2. MAS solid-state 15N NMR and in situ IR spectroscopic studies of the reaction of either 15N or 2H labeled ammonia with 2 show that initial coordination of the ammonia is followed by scrambling of either 15N or 2H among ammonia, amido and imido groups. Density functional theory (DFT) calculations with a cluster model [{(μ-O)[(H3SiO) 2SiO]2}Ta(NH)(-NH2)(NH3)], 2 q·NH3, show that the intramolecular H transfer from Ta-NH2 to TaNH is ruled out, but the H transfers from the coordinated ammonia to the amido and imido groups have accessible energy barriers. The energy barrier for the ammonia N-H activation by the Ta-amido group is energetically preferred relative to the Ta-imido group. The importance of excess NH3 for getting full isotope scrambling is rationalized by an outer sphere assistance of ammonia acting as proton transfer agent, which equalizes the energy barriers for H transfer from coordinated ammonia to the amido and imido groups. In contrast, additional coordinated ammonia does not favor significantly the H transfer. These results rationalize the experimental conditions used. © The Royal Society of Chemistry and the Centre National de la Recherche Scientifique 2011.

  6. Structural Studies of NH4-exchanged Natrolites at Ambient Conditions and High Temperature

    Energy Technology Data Exchange (ETDEWEB)

    Y Lee; D Seoung; Y Jang; J Bai; Y Lee

    2011-12-31

    We report here for the first time that fully and partially NH{sub 4}-exchanged natrolites can be prepared in hydrated states using the solution exchange method with potassium-natrolite. The structural models of the as-prepared hydrated phases and their dehydrated forms at elevated temperature were refined in space group Fdd2 using in situ synchrotron X-ray powder diffraction data and Rietveld methods. The unit-cell volumes of the hydrated NH{sub 4}-exchanged natrolites at ambient conditions, (NH{sub 4}){sub 16(2)}Al{sub 16}Si{sub 24}O{sub 80}{center_dot}14.1(9)H{sub 2}O and (NH{sub 4}){sub 5.1(1)}K{sub 10.9(1)}Al{sub 16}Si{sub 24}O{sub 80}{center_dot}15.7(3)H{sub 2}O, are found to be larger than that the original sodium-natrolite by ca. 15.6% and 12.8%, respectively. Upon temperature increase, the fully NH{sub 4}-exchanged natrolite undergoes dehydration at ca. 150 C with ca. 16.4% contraction in the unit-cell volume. The dehydrated phase of the fully NH{sub 4}-exchanged natrolite exhibits marginal volume expansion up to 425 C and then becomes amorphized during temperature decrease and exposure to atmospheric condition. In the case of the partially NH{sub 4}-exchanged natrolite, the dehydration starts from ca. 175 C with {approx}15.1% volume contraction and leads to a partial phase separation to show a phase related to the dehydrated K-natrolite. The degree of the phase separation decreases with temperature increase up to 475 C, concomitant to the gradual volume contraction occurring in the partially NH{sub 4}-exchanged natrolite in the dehydrared state. Upon temperature decrease and exposure to atmospheric condition, only the dehydrated K-natrolite is recovered as a crystalline phase from the partially NH{sub 4}-exchanged natrolite. In the hydrated model of the fully NH{sub 4}-exchanged natrolite, the ammonium cations and water molecules are statistically distributed along the elliptical channels, similar to the disordered pattern observed in natrolites exchanged

  7. Laser Raman and ac impedance spectroscopic studies of PVA: NH4NO3 polymer electrolyte.

    Science.gov (United States)

    Hema, M; Selvasekarapandian, S; Hirankumar, G; Sakunthala, A; Arunkumar, D; Nithya, H

    2010-01-01

    Ion conducting polymer electrolyte PVA:NH(4)NO(3) has been prepared by solution casting technique and characterized using XRD, Raman and ac impedance spectroscopic analyses. The amorphous nature of the polymer films has been confirmed by XRD and Raman spectroscopy. An insight into the deconvoluted Raman peaks of upsilon(1) vibration of NO(3)(-) anion for the polymer electrolyte reveals the dominancy of ion aggregates at higher NH(4)NO(3) concentration. From the ac impedance studies, the highest ion conductivity at 303 K has been found to be 7.5x10(-3)Scm(-1) for 80PVA:20NH(4)NO(3). The conductivity of the polymer electrolytes has been found to depend on the degree of dissociation of the salt in the host polymer matrix. The combination of the above-mentioned analyses has proven worth while and in fact necessary in order to achieve better understanding of these complex systems.

  8. Ammonothermal synthesis of GaN using Ba(NH2)2 as mineralizer

    Science.gov (United States)

    Hertrampf, J.; Alt, N. S. A.; Schlücker, E.; Knetzger, M.; Meissner, E.; Niewa, R.

    2016-12-01

    It is demonstrated that hexagonal GaN can be obtained under ammonothermal conditions (125 MPa and 723 K) using Ba(NH2)2 as mineralizer. The hexagonal wurtzite-type GaN crystallites are several μm in diameter, as examined by scanning electron microscopy. This is to our knowledge the first successful ammonothermal GaN synthesis using an alkaline-earth metal as mineralizer. Ba[Ga(NH2)4]2 was identified as intermediate species in the ammonothermal synthesis process. The formation of h-GaN using Sr(NH2)2 as mineralizer was indicated only at higher temperatures above 1000 K.

  9. Synthesis of mesoporous NH2-SBA-15 by a simple and efficient strategy

    Science.gov (United States)

    You, Long; Yuan, Fang; Ma, Feng

    2015-12-01

    Amine modified SBA-15 (NH2-SBA-15) was synthesized by a simple and efficient strategy, that is, activation at first and followed by amination. The samples were characterized by fourier transform infrared spectroscopy (FTIR), X-ray diffraction (XRD), environmental scanning electron microscopy (ESEM), thermo gravimetric (TG) analysis, and nitrogen adsorption. Results show that the as-prepared NH2-SBA-15 possessed a large surface area, stable skeleton structure, and high amino contents. Moreover, the CO2 temperature programmed desorption (CO2-TPD) experiments of the as-prepared NH2-SBA-15 were studied, and the results show that the introduction of amino groups results in the increase of the basic sites of SBA-15, which is beneficial to the adsorption of CO2.

  10. Site specific reactivity of Cu-CHA with NO, NH3 and O2

    DEFF Research Database (Denmark)

    Godiksen, Anita; Isaksen, Oliver L.; Rasmussen, Søren B.

    2017-01-01

    In-situ electron paramagnetic resonance (EPR) spectroscopy was applied to dilute copper chabazite (CHA) zeolites under gas flows relevant for the selective catalytic reduction of NO with ammonia (NH3-SCR). Under both reducing and oxidizing conditions, we observed differences in reactivity between...... of oxidation differs significantly between reaction with O2 alone and with NO+O2 together. Thus it was revealed that [Cu(NH3)2]+ complexes, which are regarded to be only weakly associated with the framework, nevertheless have different reactivity depending on the Al distribution in the proximity. The observed...... differences in reactivity of copper sites has implications for the mechanistic understanding of NH3-SCR with Cu-zeolites....

  11. Formation of NH{sub 3} during the pyrolysis of a brown coal

    Energy Technology Data Exchange (ETDEWEB)

    Li, C.Z.; Pang, Y.; Li, X.G. [Monash Univ., Clayton, Victoria (Australia). Dept. of Chemical Engineering

    1998-12-31

    Emissions of oxides of nitrogen (NO, NO{sub 2} and N{sub 2}O) from power generation using coal are an important environmental problem, contributing to the formation of photochemical smog and acid rain or to the enhancement of greenhouse effects and to the enhanced depletion of stratospheric ozone. During pyrolysis, the nitrogen in coal, as a part of coal organic matter, is converted into NOx precursors (eg. NH{sub 3}, HCN, HNCO and the nitrogen in tar and char). These NOx precursors may then be converted into either NOx or N{sub 2} during subsequent combustion or gasification/combustion. The conversion efficiency of these NOx precursors into NOx depends strongly upon the type of NOx precursor. Knowledge of the formation of these NOx precursors during pyrolysis is therefore essential for the accurate predictions of NOx emissions from large scale power plants, and therefore for the development of optimum strategies for NOx reduction. Formation of NH{sub 3} during the pyrolysis of a Victorian brown coal (Loy Yang) has been studied in a novel reactor. The experimental results obtained suggest that a considerable amount of the nitrogen in the nascent char could be converted into NH{sub 3} if the char is held at high temperatures for a long period of time. The formation of NH{sub 3} from the thermal cracking of char was seen to last for more than an hour even at temperatures as high as 700--900 C. The experimental results seem to suggest that the differences in reactor geometries would account at least partially for some of the discrepancies in the literature regarding the formation of NH{sub 3} during the pyrolysis of coals. It is thought that NH{sub 3} may be formed from the hydrogenation of the N sites in the char by the active hydrogen generated from the thermal cracking of the char.

  12. NH3 Volatilization from Aboveground Plants of Winter Wheat During Late Growing Stages

    Institute of Scientific and Technical Information of China (English)

    WANG Zhao-hui; LI Sheng-xiu

    2003-01-01

    Ammonia volatilized from aboveground parts of winter wheat was collected with an enclosuregrowth chamber and measured from jointing to maturing stage. The results showed that ammonia releasedfrom unfertilized plants grown in high and low fertility soils remained at low rates of 2.3 and 0.9 μg NH3 40plant-1 h-1 respectively at late filling stage. However, fertilized plants rapidly increased the rates to 43.4 and52.2 μg NH3 40 plant-1 h-1 in the high and low fertility soils, respectively, at the same period. The released a-mount was different in different parts of plants. At filling stage, lower senescing stems and leaves volatilizedmore ammonia than upper parts, i.e. , ears and flag leaves that grew normally, with an average of 1.4 and0.7 μg NH3 20 plant-1 h-1 respectively, strongly suggesting that it was the senile organs that released largeamounts of ammonia. At the grain filling stage, shortage of water supply (drought stress) reduced ammoniavolatilization. The average rate of ammonia released under water stress was 0.9 μg NH3 40 plant-1 h-1 , but 1.2μg NH3 40 plant-1 h-1 with moderate water supply. Application of N together with P fertilizer resulted in ahigher ammonia volatilization than N fertilization alone at the maturing stage. The average rate released was135.3 μg NH3 40 plant-1 h-1 when 0.4 g N and 0.13 g P had been added to per kg soil, while 33.7 μg when0.4 g N added alone. Ammonia volatilization from plants was closely related with plant biomass and N up-take; P fertilization increased plant biomass and N uptake and therefore increased its release.

  13. Synthesis, structure, lattice energy and enthalpy of 2D hybrid perovskite [NH3(CH2)4NH3]CoCl4, compared to [NH3(CH2)nNH3]CoCl4, n=3-9

    Science.gov (United States)

    Abdel-Aal, Seham K.; Abdel-Rahman, Ahmed S.

    2017-01-01

    A new organic-inorganic 2D hybrid perovskite [NH3(CH2)4NH3]CoCl4,1,4butane diammonium tetra-chlorocobaltate, has been synthesized. Blue prismatic single crystals were grown from ethanolic solution in 1:1 stoichiometric ratio (organic/inorganic) by gradual cooling to room temperature after heating at 70 °C for 1 h. The hybrid crystallizes in a triclinic phase with the centrosymetric space group P 1 bar . Its unit cell parameters are a=7.2869 (2) Å, b=8.1506 (2) Å, c=10.4127 (3) Å, α=77.2950 (12)°, β=80.0588 (11)°, γ=82.8373 (12)° and Z=2. The final R factor is 0.064. The structure consists of organic dications [NH3(CH2)4NH3]2+ which act as spacer between layers of inorganic dianions [CoCl4]2- in which CoII ions are coordinated by four Cl atoms in an isolated tetrahedral structure. The organic and inorganic layers form infinite 2D sheets which are parallel to the ac plane, stacking alternatively along the b-axis, and are connected via N-H…. Cl hydrogen bonds. The lamellar structure of the 1,4 butane diammonium tetrachlorocobaltate hybrid is typically considered as naturally self-assembled multiple quantum wells (MQW). The calculated lattice potential energy Upot (kJ/mol) and lattice enthalpy ΔHL (kJ/mol) are inversely proportional to the molecular volume Vm (nm3) of perovskite hybrid of the formula [NH3(CH2)nNH3]CoCl4, n=3-9.

  14. Quantum IR line list of NH3 and isotopologues for ISM and dwarf studies

    Science.gov (United States)

    Huang, Xinchuan; Schwenke, David W.; Lee, Timothy J.; Sung, Keeyoon; Brown, Linda R.

    2013-03-01

    Ammonia (NH3) was the first polyatomic molecule observed in the ISM. Its importance in interstellar molecules is only second to CO because its rovibrational spectroscopic signature can be used very effectively at deducing the conditions of the interstellar environment such as temperature and density, and because it is found in so many different interstellar objects in a wide temperature range. However, experimental determination of NH3 IR spectra is extremely difficult due to the large-amplutide inversion vibration, and the existing HITRAN2008 database for NH3 is limited in temperature, coverage, completeness, and accuracy. With rapid progress in theoretical chemistry and computational resources, now we are able to generate a highly reliable/accurate IR line list of NH3 (and its isotopologues) for astronomical studies. Exact quantum rovibrational computations on an empirically refined potential energy surface (with nonadiabatic corrections included) have achieved accuracies of 0.02-0.05 cm-1 (for line position) and better than 85-95% (for line intensity) for both NH3 and 15NH3 spectra. The unique feature of our work is that our predictions are essentially as accurate as reproducing existing measurements, suitable for synthetic simulation of various astrophysical environments or objects. The reliabilty and accuracy of our predictions for missing bands and higher energies computed on HSL-2 (Fig. 1) have been proved by the most recent high-resolution experiments and extended up to 7000 cm-1. See Huang et al. 2008, Huang et al. 2011, & Sung et al. 2012 for more details.

  15. LPG and NH3 sensing characteristics of DC electrochemically deposited Co3O4 films

    Science.gov (United States)

    Shelke, P. N.; Khollam, Y. B.; Gunjal, S. D.; Koinkar, P. M.; Jadkar, S. R.; Mohite, K. C.

    2015-03-01

    Present communication reports the LPG and NH3 sensing properties of Co3O4 films prepared on throughly cleaned stainless steel (SS) and copper (CU) substrates by using DC electrochemical deposition method followed by air annealing at 350°C/2 h. The resultant films are characterized by using X-ray diffraction (XRD), Raman spectroscopy and scanning electron microscopy (SEM). The LPG and NH3 gas sensing properties of these films are measured at room temperature (RT) by using static gas sensing system at different concentrations of test gas ranging from 25 ppm to 350 ppm. The XRD and Raman spectroscopy studies clearly indicated the formation of pure cubic spinel Co3O4 in all films. The LPG and NH3 gas sensing properties of films showed (i) the increase in sensitivity factor (S.F.) with gas concentrations and (ii) more sensibility to LPG as compared to NH3 gas. In case of NH3 gas (conc. 150 ppm) and LPG gas (conc. 60 ppm) sensing, the maximum S.F. = 270 and 258 are found for the films deposited on CU substrates, respectively. For all films, the response time (3-5 min.) is found to be much higher than the recovery time (30-50 sec). For all films, the response and recovery time are found to be higher for LPG as compared to NH3 gas. Further, repeatability-reproducibility in gas sensing properties is clearly noted by analysis of data for number of cycles recorded for all films from different set of depositions.

  16. In situ supported MnOx-CeOx on carbon nanotubes for the low-temperature selective catalytic reduction of NO with NH3

    Science.gov (United States)

    Zhang, Dengsong; Zhang, Lei; Shi, Liyi; Fang, Cheng; Li, Hongrui; Gao, Ruihua; Huang, Lei; Zhang, Jianping

    2013-01-01

    The MnOx and CeOx were in situ supported on carbon nanotubes (CNTs) by a poly(sodium 4-styrenesulfonate) assisted reflux route for the low-temperature selective catalytic reduction (SCR) of NO with NH3. X-Ray diffraction (XRD), transmission electron microscopy (TEM), high-resolution TEM (HRTEM), X-ray photoelectron spectroscopy (XPS), H2 temperature-programmed reduction (H2-TPR) and NH3 temperature-programmed desorption (NH3-TPD) have been used to elucidate the structure and surface properties of the obtained catalysts. It was found that the in situ prepared catalyst exhibited the highest activity and the most extensive operating-temperature window, compared to the catalysts prepared by impregnation or mechanically mixed methods. The XRD and TEM results indicated that the manganese oxide and cerium oxide species had a good dispersion on the CNT surface. The XPS results demonstrated that the higher atomic concentration of Mn existed on the surface of CNTs and the more chemisorbed oxygen species exist. The H2-TPR results suggested that there was a strong interaction between the manganese oxide and cerium oxide on the surface of CNTs. The NH3-TPD results demonstrated that the catalysts presented a larger acid amount and stronger acid strength. In addition, the obtained catalysts exhibited much higher SO2-tolerance and improved the water-resistance as compared to that prepared by impregnation or mechanically mixed methods.The MnOx and CeOx were in situ supported on carbon nanotubes (CNTs) by a poly(sodium 4-styrenesulfonate) assisted reflux route for the low-temperature selective catalytic reduction (SCR) of NO with NH3. X-Ray diffraction (XRD), transmission electron microscopy (TEM), high-resolution TEM (HRTEM), X-ray photoelectron spectroscopy (XPS), H2 temperature-programmed reduction (H2-TPR) and NH3 temperature-programmed desorption (NH3-TPD) have been used to elucidate the structure and surface properties of the obtained catalysts. It was found that the in situ

  17. Effect of Organic Acids and Protons on Release of Non-Exchangeable NH4+ in Flooded Paddy Soils

    Institute of Scientific and Technical Information of China (English)

    ZHANG Yong-Song; SHAO Xing-Hua; LIN Xian-Yong; H. W. SCHERER

    2005-01-01

    In a model experiment, which imitated the rhizosphere of rice, the effect of organic acids (oxalic acid, citric acid) and protons on the release of non-exchangeable NH4+ and the resin adsorption of N was studied in a paddy soil, typical for Zhejiang Province, China. Oxalic and citric acids under low pH conditions, in combination with proton secretion, favored the mobilization of NH4+ ions and increased resin adsorption of N. The release of non-exchangeable NH4+ was associated with less formation of iron oxides. These could coat clay minerals and thus hinder the diffusion of NH4+ ions out of the interlayer. Protons enhanced the release of NH4+, and then they could enter the wedge zones of the clay minerals and displace non-exchangeable NH4+ ions.

  18. Autotrophic nitrogen removal process in a potable water treatment biofilter that simultaneously removes Mn and NH4(+)-N.

    Science.gov (United States)

    Cai, Yan'an; Li, Dong; Liang, Yuhai; Zeng, Huiping; Zhang, Jie

    2014-11-01

    Ammonia (NH4(+)-N) removal pathways were investigated in a potable water treatment biofilter that simultaneously removes manganese (Mn) and NH4(+)-N. The results indicated a significant loss of nitrogen in the biofilter. Both the completely autotrophic nitrogen removal over nitrite (CANON) process and nitrification were more likely to contribute to NH4(+)-N removal. Moreover, the model calculation results demonstrated that the CANON process contributed significantly to the removal of NH4(+)-N. For influent NH4(+)-N levels of 1.030 and 1.749mg/L, the CANON process contribution was about 48.5% and 46.6%, respectively. The most important finding was that anaerobic ammonia oxidation (ANAMMOX) bacteria were detectable in the biofilter. It is interesting that the CANON process was effective even for such low NH4(+)-N concentrations. Copyright © 2014 Elsevier Ltd. All rights reserved.

  19. Synthesis of analogues of the Des-Phe-NH2 C-terminal hexapeptide of cholecystokinin showing gastrin antagonist activity.

    Science.gov (United States)

    Laur, J; Rodriguez, M; Aumelas, A; Bali, J P; Martinez, J

    1986-04-01

    Four analogues of Z-CCK-27-32-NH2, Z-Tyr(SO3-)-Met-Gly-Trp-Met-Asp-NH2, a cholecystokinin receptor antagonist have been synthesized by solution methodology. In these analogues, Z-Tyr(SO3-)-Nle-Gly-Trp-Met-Asp-NH2 16, Z-Tyr(SO3-)-Nle-Gly-Trp-Nle-Asp-NH2 17, BOC-Tyr(SO3-)-Met-Gly-Trp-Met-Asp-NH2 24 and Boc-Tyr(SO3-)-Met-Gly-Trp-Nle-Asp-NH2 25 methionyl residues were replaced by norleucyl residues. Preliminary biological activity on gastrin-induced acid secretion, in rat, are reported. These derivatives proved to antagonize the action of gastrin, with ED 50 of between 0.5 and 3 mg/kg.

  20. Effect of fluorine additive on CeO2(ZrO2)/TiO2 for selective catalytic reduction of NO by NH3.

    Science.gov (United States)

    Jin, Qijie; Shen, Yuesong; Zhu, Shemin

    2017-02-01

    A series of CeO2(ZrO2)/TiO2 catalysts with fluorine additive were prepared by impregnation method and tested for selective catalytic reduction (SCR) of NO by NH3. These samples were characterized by XRD, N2-BET, Raman spectra, SEM, TEM, NH3-TPD, H2-TPR and XPS, respectively. Results showed that the optimal catalyst with the appropriate HF exhibited excellent performance for NH3-SCR and more than 96% NO conversion at 360°C under GHSV of 71,400h(-1). It was found that the grain size of TiO2 increased and the specific surface area reduced with the modulation of HF, which was not good for the adsorption of gas molecule. However, the modulation of HF exposed the high energy (001) facets of TiO2 and increased the surface chemisorbed oxygen concentration, oxygen storage capacity and Ce(3+) concentration of catalyst. In addition, the synergy of (101) and (001) facets was beneficial to the improvement of catalytic activity.

  1. Effects of Alkali and Alkaline Earth Cocations on the Activity and Hydrothermal Stability of Cu/SSZ-13 NH3-SCR Catalysts

    Energy Technology Data Exchange (ETDEWEB)

    Gao, Feng; Wang, Yilin; Washton, Nancy M.; Kollar, Marton; Szanyi, Janos; Peden, Charles HF

    2015-10-13

    Using a three-step aqueous solution ion-exchange method, cocation modified Cu/SSZ-13 SCR catalysts were synthesized. These catalysts, in both fresh and hydrothermally aged forms, were characterized with several methods including temperature-programmed reduction by H2 (H2-TPR), temperature-programmed desorption of NH3 (NH3-TPD), and 27Al solid-state nuclear magnetic resonance (NMR) and diffuse reflectance Infrared Fourier Transform (DRIFT) spectroscopies. Their catalytic performance was probed using steady-state standard NH3-SCR. Characterization results indicate that cocations weaken interactions between Cu-ions and the CHA framework making them more readily reducible. By removing a portion of Brønsted acid sites, cocations also help to mitigate hydrolysis of the zeolite catalysts during hydrothermal aging as evidenced from 27Al NMR. Reaction tests show that certain cocations, especially Li+ and Na+, promote low-temperature SCR rates while others show much less pronounced effects. In terms of applications, our results indicate that introducing cocations can be a viable strategy to improve both low- and high-temperature performance of Cu/SSZ-13 SCR catalysts.

  2. DRIFT studies on promotion mechanism of H3PW12O40 in selective catalytic reduction of NO with NH3.

    Science.gov (United States)

    Weng, Xiaole; Dai, Xiaoxia; Zeng, Qingshan; Liu, Yue; Wu, Zhongbiao

    2016-01-01

    Heteropoly acids (HPAs) have been effectively utilized in selective catalytic reduction (SCR) of NO to improve the NH3 absorption capacity and alkaline/alkali metal resistance for SCR catalysts. However, despite the promise on super-acidities, their other properties that would work on SCR process are still lack of exploration. In this study, a 12-tungstaphosphoric acid (H3PW12O40, HPW) was selected to modify a well-reported CeO2 catalyst. The resulted CeO2/HPW catalyst was subsequently utilized for SCR of NO with excess NH3, which revealed a significantly promoted performance in SCR reaction. DRIFT analyses showed that the unique NO2 absorption capacity of HPW could prevent the NO2 being further oxidized into nitrate species and the abundant Brønsted acid sites could effectively retain the NH3, avoiding them being over-oxidized at evaluated temperatures. The presence of NO2 was demonstrated able to induce a so called "fast SCR" reaction over the CeO2/HPW catalyst, which effectively facilitated the SCR reaction. Furthermore, we have also constructed a CeO2@HPW catalyst, which showed an enhanced SO2 poisoning resistance in SCR reaction.

  3. Solvent-Mediated Crystallization of CH 3 NH 3 SnI 3 Films for Heterojunction Depleted Perovskite Solar Cells

    Energy Technology Data Exchange (ETDEWEB)

    Hao, Feng; Stoumpos, Constantinos C.; Guo, Peijun; Zhou, Nanjia; Marks, Tobin J.; Chang, Robert P. H.; Kanatzidis, Mercouri G.

    2015-09-09

    Organo-lead halide perovskite solar cells have gained enormous significance and have now achieved power conversion efficiencies of ~20%. However, the potential toxicity of lead in these systems raises environmental concerns for widespread deployment. Here we investigate solvent effects on the crystallization of the lead-free methylammonium tin triiodide (CH3NH3SnI3) perovskite films in a solution growth process. Highly uniform, pinhole-free perovskite films are obtained from a dimethyl sulfoxide (DMSO) solution via a transitional SnI2·3DMSO intermediate phase. This high-quality perovskite film enables the realization of heterojunction depleted solar cells based on mesoporous TiO2 layer but in the absence of any hole-transporting material with an unprecedented photocurrent up to 21 mA cm–2. Charge extraction and transient photovoltage decay measurements reveal high carrier densities in the CH3NH3SnI3 perovskite device which are one order of magnitude larger than CH3NH3PbI3-based devices but with comparable recombination lifetimes in both devices. The relatively high background dark carrier density of the Sn-based perovskite is responsible for the lower photovoltaic efficiency in comparison to the Pb-based analogues. These results provide important progress toward achieving improved perovskite morphology control in realizing solution-processed highly efficient lead-free perovskite solar cells.

  4. Mechanistic investigation of the NH-sulfoximination of sulfide. Evidence for λ(6)-sulfanenitrile intermediates.

    Science.gov (United States)

    Lohier, Jean-François; Glachet, Thomas; Marzag, Hamid; Gaumont, Annie-Claude; Reboul, Vincent

    2017-02-07

    We report a new procedure for the preparation of NH-sulfoximines from sulfides using PIDA as an oxidant and ammonium carbamate as the ammonia source. Excellent yields were obtained with a wide range of sulfides. The formation of acetoxy- and methoxy-λ(6)-sulfanenitrile as intermediates was proposed, both of which were converted to the NH-sulfoximine by the action of the solvent. The structure of these intermediates was confirmed by (1)H, (13)C and (15)N NMR and HRMS analysis.

  5. Modelling of catalytic oxidation of NH3 and reduction of NO on limestone during sulphur capture

    DEFF Research Database (Denmark)

    Kiil, Søren; Bhatia, Suresh K.; Dam-Johansen, Kim

    1996-01-01

    for the catalytic chemistry of NH3 during simultaneous sulphur capture on a Stevns Chalk particle. The reduction of NO by NH3 over CaSO4 (which is the product of the reaction between SO2, O2 and limestone) was found to be important because this reaction could explain the change in selectivity with increased solid...... conversion observed experimentally. Simulations also suggested that it may be advantageous with respect to the emission of NO to use smallinstead of big limestone particles for desulphurisation in fluidised bed combustors due to the ways different sized particles capture SO2....

  6. Deuterium isotope effects on 13C chemical shifts of negatively charged NH.N systems

    DEFF Research Database (Denmark)

    Hansen, Poul Erik; Pietrzak, Mariusz; Grech, Eugeniusz

    2013-01-01

    Deuterium isotope effects on 13C chemical shifts are investigated in anions of 1,8-bis(4-toluenesulphonamido)naphthalenes together with N,N-(naphthalene-1,8-diyl)bis(2,2,2-trifluoracetamide) all with bis(1,8-dimethylamino)napthaleneH+ as counter ion. These compounds represent both “static......” and equilibrium cases. NMR assignments of the former have been revised. The NH proton is deuteriated. The isotope effects on 13C chemical shifts are rather unusual in these strongly hydrogen bonded systems between a NH and a negatively charged nitrogen atom. The formal four-bond effects are found to be negative...

  7. Finding the Next Deep-Ultraviolet Nonlinear Optical Material: NH4B4O6F.

    Science.gov (United States)

    Shi, Guoqiang; Wang, Ying; Zhang, Fangfang; Zhang, Bingbing; Yang, Zhihua; Hou, Xueling; Pan, Shilie; Poeppelmeier, Kenneth R

    2017-08-09

    Nonlinear optical materials are essential for the development of solid-state lasers. KBe2BO3F2 (KBBF) is a unique nonlinear optical material for generation of deep-ultraviolet coherent light; however, its industrial application is limited. Here, we report a new material NH4B4O6F, which exhibits a wide deep-ultraviolet transparent range and suitable birefringence that enables frequency doubling below 200 nm. NH4B4O6F possesses large nonlinear coefficients about 2.5 times that of KBBF. In addition, it is easy to grow bulk crystals and does not contain toxic elements.

  8. Ab-initio density functional theory study of a WO3 NH3-sensing mechanism

    Institute of Scientific and Technical Information of China (English)

    Hu Ming; Zhang Jie; Wang Wei-Dan; Qin Yu-Xiang

    2011-01-01

    WO3 bulk and various surfaces are studied by an ab-initio density functional theory technique.The band structures and electronic density states of WO3 bulk are investigated.The surface energies of different WO3 surfaces are compared and then the(002)surface with minimum energy is computed for its NH3 sensing mechanism which explains the results in the experiments.Three adsorption sites are considered.According to the comparisons of the energy and the charge change between before and after adsorption in the optimal adsorption site O1c,the NH3 sensing mechanism is obtained.

  9. Electronic properties of NH4-adsorbed graphene nanoribbon as a promising candidate for a gas sensor

    Science.gov (United States)

    Harada, Naoki; Sato, Shintaro

    2016-05-01

    The electronic properties of NH4-adsorbed N = 7 armchair graphene nanoribbons (AGNRs) were theoretically investigated using self-consistent atomistic simulations to explore the feasibility of AGNRs as a gas sensing material. Whereas a pristine AGNR has a finite band gap and is an intrinsic semiconductor, an NH4-adsorbed AGNR exhibits heavily doped n-type properties similar to a graphene sheet with the molecules adsorbed. The electric characteristics of a back-gated AGNR gas sensor were also simulated and the drain current changed exponentially with increasing number of adsorbed molecules. We may conclude that an AGNR is promising as a highly sensitive gas-sensing material with large outputs.

  10. High-resolution absorption measurements of NH3 at high temperatures: 2100–5500 cm−1

    DEFF Research Database (Denmark)

    Barton, Emma J.; Yurchenko, Sergei N.; Tennyson, Jonathan

    2017-01-01

    High-resolution absorption spectra of NH3 in the region 2100–5500 cm−1 at 1027 °C and approximately atmospheric pressure (1045±3 mbar) are measured. An NH3 concentration of 10% in volume fraction is used in the measurements. Spectra are recorded in a high-temperature gas-flow cell using a Fourier...... Transform Infrared (FTIR) spectrometer at a nominal resolution of 0.09 cm−1. The spectra are analysed by comparison to a variational line list, BYTe, and experimental energy levels determined using the MARVEL procedure. 2308 lines have been assigned to 45 different bands, of which 1755 and 15 have been...

  11. High-resolution absorption measurements of NH3 at high temperatures: 500–2100cm−1

    DEFF Research Database (Denmark)

    Barton, Emma J.; Yurchenko, Sergei N.; Tennyson, Jonathan

    2015-01-01

    High-resolution absorption spectra of NH3 in the region 500–2100 cm -1 at temperatures up to1027 1C and approximately atmospheric pressure (1013±20 mbar) are measured. NH3 concentrations of 1000 ppm,0.5% and 1% in volume fraction were used in the measurements. Spectra are recorded in high...... temperature gas flow cells using a FourierTransform Infrared (FTIR) spectrometer at a nominal resolution of 0.09cm-1. Measurements at 22.7 °C are compared to high-resolution cross sections available from thePacific Northwest National Laboratory (PNNL). The higher temperature spectra are analysed by comparison...

  12. NH3 (10-00) in the pre-stellar core L1544

    Science.gov (United States)

    Caselli, P.; Bizzocchi, L.; Keto, E.; Sipilä, O.; Tafalla, M.; Pagani, L.; Kristensen, L. E.; van der Tak, F. F. S.; Walmsley, C. M.; Codella, C.; Nisini, B.; Aikawa, Y.; Faure, A.; van Dishoeck, E. F.

    2017-07-01

    Pre-stellar cores represent the initial conditions in the process of star and planet formation, therefore it is important to study their physical and chemical structure. Because of their volatility, nitrogen-bearing molecules are key to study the dense and cold gas present in pre-stellar cores. The NH3 rotational transition detected with Herschel-HIFI provides a unique combination of sensitivity and spectral resolution to further investigate physical and chemical processes in pre-stellar cores. Here we present the velocity-resolved Herschel-HIFI observations of the ortho-NH3(10 - 00) line at 572 GHz and study the abundance profile of ammonia across the pre-stellar core L1544 to test current theories of its physical and chemical structure. Recently calculated collisional coefficients have been included in our non-LTE radiative transfer code to reproduce Herschel observations. A gas-grain chemical model, including spin-state chemistry and applied to the (static) physical structure of L1544 is also used to infer the abundance profile of ortho-NH3. The hyperfine structure of ortho-NH3(10 - 00) is resolved for the first time in space. All the hyperfine components are strongly self-absorbed. The profile can be reproduced if the core is contracting in quasi-equilibrium, consistent with previous work, and if the NH3 abundance is slightly rising toward the core centre, as deduced from previous interferometric observations of para-NH3(1, 1). The chemical model overestimates the NH3 abundance at radii between ≃4000 and 15 000 AU by about two orders of magnitude and underestimates the abundance toward the core centre by more than one order of magnitude. Our observations show that chemical models applied to static clouds have problems in reproducing NH3 observations. Based on observations carried out with Herschel, an ESA space observatory with science instruments provided by a European-led Principal Investigator consortium and with important participation from NASA.

  13. Surface tension measurements of aqueous ammonium chloride (NH4Cl) in air

    Science.gov (United States)

    Lowry, S. A.; Mccay, M. H.; Mccay, T. D.; Gray, P. A.

    1989-01-01

    Aqueous NH4Cl's solidification is often used to model metal alloy solidification processes. The present determinations of the magnitude of the variation of aqueous NH4Cl's surface tension as a function of both temperature and solutal concentration were conducted at 3, 24, and 40 C over the 72-100 wt pct water solutal range. In general, the surface tension increases 0.31 dyn/cm per percent decrease in wt pct of water, and decreases 0.13 dyn/cm for each increase in deg C. Attention is given to the experimental apparatus employed.

  14. Gas phase detection of the NH-P hydrogen bond and importance of secondary interactions

    DEFF Research Database (Denmark)

    Møller, Kristian Holten; Hansen, Anne Schou; Kjærgaard, Henrik Grum

    2015-01-01

    We have observed the NH···P hydrogen bond in a gas phase complex. The bond is identified in the dimethylamine-trimethylphosphine complex by a red shift of the fundamental NH-stretching frequency observed using Fourier transform infrared spectroscopy (FT-IR). On the basis of the measured NH-stretc......3LYP-D3BJ, CAM-B3LYP, and ωB97X-D, as well as MP2, show comparable contributions from the hydrogen bond and the secondary interactions and are close to DF-LCCSD(T)-F12a results....

  15. Emission and distribution of NH3 and NOx in China.%中国大气NH3和NOx排放的时空分布特征

    Institute of Scientific and Technical Information of China (English)

    李新艳; 李恒鹏

    2012-01-01

    根据我国不同氨源的数量、燃料消费量和相应的氨与氮氧化物排放因子,计算了我国大陆地区1995~2004年历年的氨(NH3)排放量与1985~2005年历年的氮氧化物(NOx)排放量,在此基础上模拟了2006~2010年的NOx排放量,并分析了NH3和NOx排放强度的空间分布.结果表明:2004年,我国NH3排放量为12.0Tg,比1995年的10.6Tg增加了大约13.2%;2004年的NOx排放量为20.6Tg,比1995年的12.2Tg增加了大约68.9%,比1985年的6.2Tg增加了大约2.3倍.在1996年以前,我国NH3和NOx的排放量基本相当,但是此后NH3的年排放量在经历了1997~1999年的下降之后,变化比较平稳,而NOx的排放量自2000年之后呈逐年迅速增加的趋势.2004年全国NH3的排放总量中,畜禽排泄、氮肥施用、人类粪便、氮肥与合成氨生产的贡献率分别为69.2%、15.2%、13.9%和1.9%;2004年全国NOx的排放总量中,由于受到我国能源消费结构的制约,煤炭来源的NOx占到了排放总量的77.4%.NH3和NOx的排放强度都具有明显的空间差异,表现在中东部地区的排放强度明显高于西部地区,这与中东部地区人口多、能源消费量大以及畜禽养殖数量大有关.%Annual emission of ammonia and Noχ in the inland of China were calculated based on the numbers of livestock, poultry, human beings, the quantity of fertilizer application and production and fuel consumption. The temporal and spatial distribution of emission intensity of NH3 and Noχ were also analyzed. NH3 emission in China changed slowly from 10.6Tg in 1995 to 12.0Tg in 2004, while Noχ emission increased quickly from 12.2Tg in 1995 to 20.6Tg in 2004, with a mean increase rate of 68.9%. In 2004, emission from livestock, nitrogen fertilizer application, human beings and fertilizer production accounted for 69.2%, 15.2%, 13.9% and 1.9% of the total NH3 emission, respectively. Emission from coal combustion accounted for about 77.4% of the total Noχ emission

  16. Epileptic patterns of local cerebral metabolism and perfusion in man determined by emission computed tomography of /sup 18/FDG and /sup 13/NH/sub 3/

    Energy Technology Data Exchange (ETDEWEB)

    Kuhl, D.E.; Engel, J. Jr.; Phelps, M.E.; Selin, C.

    1979-01-01

    Seventeen patients with partial epilepsy had EEG monitoring concurrent with cerebral emission computed tomography (ECT) after /sup 18/F-fluorodeoxyglucose (/sup 18/FDG) and /sup 13/N-ammonia were given intravenously as indicators of local cerebral glucose utilization (LCMR/sub glc/) and relative perfusion, respectively. In 12 of 15 patients who had unilateral or focal electrical abnormalities, interictal /sup 18/FDG scan patterns clearly showed localized regions of decreased (20% to 50%) LCMR/sub glc/, which correlated anatomically with the eventual EEG localization. These hypometabolic zones appeared normal on x-ray computed tomography in all but three patients and were unchanged on scans repeated on different days. In 5 of 6 patients who underwent temporal lobectomy, the interictal /sup 18/FDG scan correctly detected the pathologically confirmed lesion as a hypometabolic zone, and removal of the lesion site resulted in marked clinical improvement. In contrast, the ictal /sup 18/FDG scan patterns clearly showed foci of increased (82% to 130%) LCMR/sub glc/, which correlated temporally and anatomically with ictal EEG spike foci and were within the zones of interictal hypometabolism (3 studies in 2 patients). /sup 13/NH/sub 3/ distributions paralleled /sup 18/FDG increases and decreases in abnormal zones, but /sup 13/NH/sub 3/ differences were of lesser magnitude. When the relationship of /sup 13/NH/sub 3/ uptake to local blood flow found in dog brain was applied as a correction to the patients' /sup 13/NH/sub 3/ scan data, local alterations in perfusion and glucose utilization were usually matched, both in the interictal and ictal states.

  17. Site preference of NH3-adsorption on Co, Pt and CoPt surfaces: the role of charge transfer, magnetism and strain.

    Science.gov (United States)

    Bhattacharjee, S; Gupta, K; Jung, N; Yoo, S J; Waghmare, U V; Lee, S C

    2015-04-14

    Oxidation of Co at the surface poses a major problem in the cyclable use of CoPt, a cost-effective catalyst for proton exchange membrane fuel cells. This can be alleviated by attaching a ligand selectively to Co-sites to stop its oxidation without compromising the catalytic activity. Here, we present a comparative analysis of adsorption of NH3 on the (0001) surface of Co in the HCP structure and (111) surfaces of Pt and CoPt alloy in the FCC structure, using first-principles density functional theoretical calculations. While NH3 binds more strongly with the Pt surface than with the Co surface, we find that its binding with the Co atom is stronger than that with the Pt atom on the surface of the CoPt alloy. Our analysis of the charge density and electronic structure shows how this originates from (a) the electron transfer from the minority spin d-band of Co to Pt, and (b) shift in the energy of d-bands and the magnetic moments of Co atoms on the surface of the CoPt alloy relative to those on the (0001) surface of Co. Hybridization of the d-states of Co in CoPt with pz states of N in NH3 used to stop Co oxidation also results in improving the charge transfer from Co to Pt that is relevant to the catalytic activity of CoPt. We finally present the analysis of how the interaction of NH3 with the CoPt surface can be tuned with strain.

  18. Collisional excitation of NH(X{sup 3}Σ{sup −}) by Ne: Potential energy surface, scattering calculations, and comparison with experiments

    Energy Technology Data Exchange (ETDEWEB)

    Bouhafs, Nezha; Lique, François, E-mail: francois.lique@univ-lehavre.fr [LOMC–UMR 6294, CNRS-Université du Havre, 25 rue Philippe Lebon, BP 1123, 76063 Le Havre (France)

    2015-11-14

    We present a new three-dimensional potential energy surface (PES) for the NH(X{sup 3}Σ{sup −})–Ne van der Waals system, which explicitly takes into account the NH vibrational motion. Ab initio calculations of the NH–Ne PES were carried out using the open-shell single- and double-excitation coupled cluster approach with non-iterative perturbational treatment of triple excitations [RCCSD(T)]. The augmented correlation-consistent quadruple zeta (aug-cc-pVQZ) basis set was employed. Mid-bond functions were also included in order to improve the accuracy in the van der Waals well. Using this new PES, we have studied the collisional excitation of NH(X{sup 3}Σ{sup −}) by Ne. Close-coupling calculations of the collisional excitation cross sections of the fine-structure levels of NH by Ne are performed for energies up to 3000 cm{sup −1}, which yield, after thermal average, rate coefficients up to 350 K. The propensity rules between fine-structure levels are reported, and it is found that F-conserving cross sections are larger than F-changing cross sections even if the propensity rules are not as strong as for the NH–He system. The calculated rate coefficients are compared with available experimental measurements at room temperature and a fairly good agreement is found between experimental and theoretical data, confirming the good quality of the scattering calculations and also the accuracy of the potential energy surface used in this work.

  19. Giant-Planet Chemistry: Ammonium Hydrosulfide (NH4SH), Its IR Spectra and Thermal and Radiolytic Stabilities

    Science.gov (United States)

    Loeffler, Mark J.; Hudson, Reggie L.; Chanover, Nancy J.; Simon, Amy A.

    2015-01-01

    Here we present our recent studies of proton-irradiated and unirradiated ammonium hydrosulfide, NH4SH, a compound predicted to be an important tropospheric cloud component of Jupiter and other giant planets. We irradiated both crystalline and amorphous NH4SH at 10-160 K and used IR spectroscopy to observe and identify reaction products in the ice, specifically NH3 and long-chained sulfur-containing ions. Crystalline NH4SH was amorphized during irradiation at all temperatures studied with the rate being the fastest at the lowest temperatures. Irradiation of amorphous NH4SH at approximately 10-75 K showed that 60-80% of the NH4 + remained when equilibrium was reached, and that NH4SH destruction rates were relatively constant within this temperature range. Irradiations at higher temperatures produced different dose dependence and were accompanied by pressure outbursts that, in some cases, fractured the ice. The thermal stability of irradiated NH4SH was found to be greater than that of unirradiated NH4SH, suggesting that an irradiated giant-planet cloud precipitate can exist at temperatures and altitudes not previously considered.

  20. Giant-Planet Chemistry: Ammonium Hydrosulfide (NH4SH), Its IR Spectra and Thermal and Radiolytic Stabilities

    Science.gov (United States)

    Loeffler, Mark J.; Hudson, Reggie L.; Chanover, Nancy J.; Simon, Amy A.

    2015-01-01

    Here we present our recent studies of proton-irradiated and unirradiated ammonium hydrosulfide, NH4SH, a compound predicted to be an important tropospheric cloud component of Jupiter and other giant planets. We irradiated both crystalline and amorphous NH4SH at 10-160 K and used IR spectroscopy to observe and identify reaction products in the ice, specifically NH3 and long-chained sulfur-containing ions. Crystalline NH4SH was amorphized during irradiation at all temperatures studied with the rate being the fastest at the lowest temperatures. Irradiation of amorphous NH4SH at approximately 10-75 K showed that 60-80% of the NH4 + remained when equilibrium was reached, and that NH4SH destruction rates were relatively constant within this temperature range. Irradiations at higher temperatures produced different dose dependence and were accompanied by pressure outbursts that, in some cases, fractured the ice. The thermal stability of irradiated NH4SH was found to be greater than that of unirradiated NH4SH, suggesting that an irradiated giant-planet cloud precipitate can exist at temperatures and altitudes not previously considered.

  1. Nickel(Ⅱ) Complexes Bearing NH2CH2CH2CH2NH2 and o-C6H4(NH2)2 Ligands:Synthesis, Structures and Their Ethylene Polymerization Behavior

    Institute of Scientific and Technical Information of China (English)

    LU Xiaoming; WANG Zhen; LIU Man

    2009-01-01

    Two nickel complexes [Ni(NH2CH2CH2CH2NH2)3]Cl2 (1) and [Ni(C6H4N2H4)2Cl2] (2) have been obtained and characterized by IR and single crystal X-ray diffraction analysis. In complex 1, the nickel atom was in a chiral pseudo-octahedral [NiN6] geometry environment, which was coordinated by three 1,3-propylenediamine to form three six-membered rings. However in complex 2, besides connected with two o-phenylenediarnine through four Ni-N bonds to form two five-membered rings, the nickel center was coordinated by two Cl to form trans-Ni-Cl2, which was different from general reported diimine nickel complexes. Activated with MAO, MMAO or Et2AlCl, these nickel complexes exhibited considerable good catalytic activity [up to 3.59×106 g·mol-1·h1for complex 2] for ethylene polymerization with main products as dimers or trimers of ethylene.

  2. First detection of gas-phase ammonia in a planet-forming disk. NH3, N2H+, and H2O in the disk around TW Hydrae

    Science.gov (United States)

    Salinas, Vachail N.; Hogerheijde, Michiel R.; Bergin, Edwin A.; Cleeves, L. Ilsedore; Brinch, Christian; Blake, Geoffrey A.; Lis, Dariusz C.; Melnick, Gary J.; Panić, Olja; Pearson, John C.; Kristensen, Lars; Yıldız, Umut A.; van Dishoeck, Ewine F.

    2016-06-01

    Context. Nitrogen chemistry in protoplanetary disks and the freeze-out on dust particles is key for understanding the formation of nitrogen-bearing species in early solar system analogs. In dense cores, 10% to 20% of the nitrogen reservoir is locked up in ices such as NH3, NH4+ and OCN-. So far, ammonia has not been detected beyond the snowline in protoplanetary disks. Aims: We aim to find gas-phase ammonia in a protoplanetary disk and characterize its abundance with respect to water vapor. Methods: Using HIFI on the Herschel Space Observatory, we detected for the first time the ground-state rotational emission of ortho-NH3 in a protoplanetary disk around TW Hya. We used detailed models of the disk's physical structure and the chemistry of ammonia and water to infer the amounts of gas-phase molecules of these species. We explored two radial distributions (extended across the disk and confined to distributions (near the midplane and at intermediate heights above the midplane, where water is expected to photodesorb off icy grains) to describe the (unknown) location of the molecules. These distributions capture the effects of radial drift and vertical settling of ice-covered grains. Results: The NH310-00 line is detected simultaneously with H2O 110-101 at an antenna temperature of 15.3 mK in the Herschel beam; the same spectrum also contains the N2H+ 6-5 line with a strength of 18.1 mK. We use physical-chemical models to reproduce the fluxes and assume that water and ammonia are cospatial. We infer ammonia gas-phase masses of 0.7-11.0 × 1021 g, depending on the adopted spatial distribution, in line with previous literature estimates. For water, we infer gas-phase masses of 0.2-16.0 × 1022 g, improving upon earlier literature estimates This corresponds to NH3/H2O abundance ratios of 7%-84%, assuming that water and ammonia are co-located. The inferred N2H+ gas mass of 4.9 × 1021 g agrees well with earlier literature estimates that were based on lower excitation

  3. Blueshift and intramolecular tunneling of NH3 umbrella mode in 4He n clusters.

    Science.gov (United States)

    Viel, Alexandra; Whaley, K Birgitta; Wheatley, Richard J

    2007-11-21

    We present diffusion Monte Carlo calculations of the ground and first excited vibrational states of NH(3) (4)He(n) for nblueshift of the umbrella mode frequency and a reduction of the tunneling splittings in ground and first excited vibrational states of the molecule. These basic features are found to result regardless of whether dynamical approximations or exact calculations are employed.

  4. Crown Ether Complexes with H3O+ and NH4+: Proton Localization and Proton Bridge Formation

    NARCIS (Netherlands)

    Hurtado, P.; Gamez, F.; Hamad, S.; Martinez-Haya, B.; Steill, J. D.; Oomens, J.

    2011-01-01

    The complexes formed by crown ethers with hydronium and ammonium cations are of key relevance for the understanding of their supramolecular behavior in protic solvents. In this work, the complexes of the 15-crown-5 (15c5) and 18-crown-6 (18c6) ethers with H3O+ and NH4+ and their deuterated variants

  5. Descriptor‐Based Analysis Applied to HCN Synthesis from NH3 and CH4

    DEFF Research Database (Denmark)

    Grabow, Lars C.; Studt, Felix; Abild‐Pedersen, Frank

    2011-01-01

    A trendy volcano: By the example of HCN synthesis from NH3 and CH4, it is demonstrated how scaling relations for intermediates and transition states provide a basis for the prediction of trends in heterogeneous catalysis (see logarithmic turnover frequency, TOF). These trends include not only the...

  6. Thermal Transformation of NH4-Clinoptilolite to Mullite and Silica Polymorphs

    Directory of Open Access Journals (Sweden)

    Antonio Brundu

    2017-01-01

    Full Text Available Clinoptilolite is a natural zeolite used for the abatement of ammonium in the treatment of urban wastewater. By considering that mullite was obtained through thermal treatment of NH4-exchanged synthetic zeolites, this work aimed to evaluate if this phase can be obtained from NH4-clinoptilolite. A material containing about 90 wt % of clinoptilolite, prepared using a Sardinian zeolite-rich rock, was NH4-exchanged and subjected to treatments up to 1200 °C. After dehydration, de-ammoniation, and dehydroxylation processes, the clinoptilolite structure collapsed at 600 °C. An association of mullite, silica polymorphs, and glass, whitish in color, was obtained for treatments between 1000 and 1200 °C. The higher degree of crystallinity was reached after a 32 h heating at 1100 °C: mullite 22 wt %, cristobalite 59 wt %, tridymite 10 wt %, glass 9 wt %. It is possible to speed up the kinetics of the transformation by increasing the temperature to 1200 °C, obtaining the same amount of mullite in 2 h, but increasing the residual amorphous fraction (16 wt %. These results indicate that NH4-clinoptilolite could represent a raw material of potential interest in the ceramic field, in particular in the production of acid refractory, opening scenarios for a possible reuse of clinoptilolite-based exchangers employed in ammonium decontamination.

  7. NH4+ secretion in the avian colon

    DEFF Research Database (Denmark)

    Holtug, Klavs; Laverty, Gary; Árnason, Sighvatur S.

    2009-01-01

      Experiments were designed to characterize an active, electrogenic transport of NH(4)(+) ions across the colonic epithelium of the domestic fowl (Gallus gallus). Colonic segments were isolated and stripped of underlying muscle. The mucosal epithelia were mounted in Ussing chambers and voltage......-clamped to measure the short-circuit currents (I(SC)) associated with transport. Bilateral addition of NH(4)(+) caused a dose-dependent outward current (negative I(SC)), with a Km of 34+/-8 mM and a maximal current response of 311+/-47 microA cm(-2) (12+/-2 microEq cm(-2) h(-1)). A similar effect was seen...... with unilateral addition of NH(4)(+) to the serosal (s) side, but not with mucosal (m) addition. Pre-treatment with 10(-4) M amiloride exposed a net outward (negative) I(SC), and serosal NH(4)(+) addition further increased this outward current with a Km of 53+/-24 mM. Decreasing the bath pH from 7.3 to 6.0 did...

  8. Calculation of optimal parameters of an NH3-CO2 lidar

    NARCIS (Netherlands)

    Vasil'ev, BI; Mannoun, OM

    2005-01-01

    The basic parameters (range, signal-to-noise ratio, and sensitivity) of a lidar using NH3 and CO2 lasers are calculated. The principle of lidar operation is based on the differential absorption recording. Absorption spectra of all known Freons are considered in the spectral range 9-13.5 mu m and opt

  9. Chemical deactivation of Cu-SSZ-13 ammonia selective catalytic reduction (NH3-SCR) systems

    NARCIS (Netherlands)

    Lezcano-Gonzalez, I.; Deka, U.; van der Bij, H. E.; Paalanen, P.; Arstad, B.; Weckhuysen, B. M.; Beale, A. M.

    2014-01-01

    The chemical deactivation of Cu-SSZ-13 Ammonia Selective Catalytic Reduction (NH3-SCR) catalysts by Pt, Zn, Ca and P has been systematically investigated using a range of analytical techniques in order to study the influence on both the zeolitic framework and the active Cu2+ ions. The results obtain

  10. Measurement of the dry deposition flux of NH3 on to coniferous forest

    NARCIS (Netherlands)

    Duyzer, J.H.; Verhagen, H.L.M.; Weststrate, J.H.; Bosveld, F.C.

    1992-01-01

    The dry deposition flux of NH3 to coniferous forest was determined by the micrometeorological gradient method using a 36m high tower. Aerodynamic characteristics of the site were studied, using a second tower erected in the forest 100m from the first. Fluxes and gradients of heat and momentum measur

  11. Growth response of cottonwood roots to varied NH4:NO3 ratios in enriched patches

    Science.gov (United States)

    Walter T.M. Woolfolk; Alexander L. Friend

    2003-01-01

    Maximization of short-rotation forest plantation yields requires frequent applications of nutriends, especially nitrogen(N). Whole-plant growth is known to be sensitive to teh proportion of ammonium to nitrate (NH4:NO3). However, the extent to which N form affects root growth, branching and morphology is poorly understood...

  12. DFT investigation of NH3 gas interactions on TeO2 nanostructures

    Institute of Scientific and Technical Information of China (English)

    V. Nagarajan; R. Chandiramouli

    2016-01-01

    The structural, electronic and adsorption properties of NH3 on pristine, Sn and F substituted TeO2 na-nostructures were investigated using density functional theory with B3LYP/LanL2DZ basis set. The electronic properties of pristine, Sn and F incorporated TeO2 nanostructures were explained with ioni-zation potential, HOMO–LUMO gap and electron affinity. The dipole moment and point group of rutile TeO2 nanostructures were also reported. The structural stability of pristine, Sn and F substituted TeO2 nanostructures were investigated in terms of formation energy. The adsorption properties of NH3 on TeO2 were studied and the proper adsorption sites of NH3 on TeO2 materials were identified and dis-cussed with the suitable parameters such as adsorption energy, HOMO–LUMO gap, Mulliken population analysis and average energy gap variation. The results show that the substitution of fluorine in TeO2 nanostructure enhances NH3 adsorption properties in mixed gas environment.

  13. Meteorite Impact-Induced Rapid NH3 Production on Early Earth: Ab Initio Molecular Dynamics Simulation

    Science.gov (United States)

    Shimamura, Kohei; Shimojo, Fuyuki; Nakano, Aiichiro; Tanaka, Shigenori

    2016-12-01

    NH3 is an essential molecule as a nitrogen source for prebiotic amino acid syntheses such as the Strecker reaction. Previous shock experiments demonstrated that meteorite impacts on ancient oceans would have provided a considerable amount of NH3 from atmospheric N2 and oceanic H2O through reduction by meteoritic iron. However, specific production mechanisms remain unclear, and impact velocities employed in the experiments were substantially lower than typical impact velocities of meteorites on the early Earth. Here, to investigate the issues from the atomistic viewpoint, we performed multi-scale shock technique-based ab initio molecular dynamics simulations. The results revealed a rapid production of NH3 within several picoseconds after the shock, indicating that shocks with greater impact velocities would provide further increase in the yield of NH3. Meanwhile, the picosecond-order production makes one expect that the important nitrogen source precursors of amino acids were obtained immediately after the impact. It was also observed that the reduction of N2 proceeded according to an associative mechanism, rather than a dissociative mechanism as in the Haber-Bosch process.

  14. 76 FR 60599 - Boston & Maine Corporation-Abandonment Exemptions-in Rockingham, NH; Springfield Terminal Railway...

    Science.gov (United States)

    2011-09-29

    .... The Line traverses United States Postal Service Zip Codes 03801, 03840, 03842, 03862, and 03870. Applicants have certified that: (1) No local traffic has moved over the line for at least 2 years; (2) there... railroad ] known as the Hampton Branch in Rockingham County, NH. The rail line extends from milepost...

  15. Intrinsic defects and dopants in LiNH2 : a first-principles study

    NARCIS (Netherlands)

    Hazrati, E.; Brocks, G.; Buurman, B.; de Groot, R. A.; de Wijs, G. A.

    2011-01-01

    The lithium amide (LiNH2) + lithium hydride (LiH) system is one of the most attractive light-weight materials options for hydrogen storage. Its dehydrogenation involves mass transport in the bulk (amide) crystal through lattice defects. We present a first-principles study of native point defects and

  16. Calculation of optimal parameters of an NH3-CO2 lidar

    NARCIS (Netherlands)

    Vasil'ev, BI; Mannoun, OM

    The basic parameters (range, signal-to-noise ratio, and sensitivity) of a lidar using NH3 and CO2 lasers are calculated. The principle of lidar operation is based on the differential absorption recording. Absorption spectra of all known Freons are considered in the spectral range 9-13.5 mu m and

  17. The mechanism of NH3 and SO2 uptake by leaves and its physiological effects.

    NARCIS (Netherlands)

    Hove, van L.W.A.

    1989-01-01

    The relation between uptake of atmospheric ammonia (NH 3 ) and sulphur dioxide (SO 2 ) by individual leaves, photosynthesis and stomatal conductance was examined. The experiments were carried out with bean plants ( Phaseolus vulgari

  18. NH$_3$(3,3) and CH$_3$OH near Supernova Remnants: GBT and VLA Observations

    CERN Document Server

    McEwen, Bridget; Sjouwerman, Loránt

    2016-01-01

    We report on Green Bank Telescope 23.87 GHz NH$_3$(3,3), emission observations in five supernova remnants interacting with molecular clouds (G1.4$-$0.1, IC443, W44, W51C, and G5.7$-$0.0). The observations show a clumpy gas density distribution, and in most cases the narrow line widths of $\\sim3-4$\\,km\\,s$^{-1}$ are suggestive of maser emission. Very Large Array observations reveal 36~GHz and/or 44~GHz CH$_3$OH, maser emission in a majority (72\\%) of the NH$_3$, peak positions towards three of these SNRs. This good positional correlation is in agreement with the high densities required for the excitation of each line. Through these observations we have shown that CH$_3$OH, and NH$_3$, maser emission can be used as indicators of high density clumps of gas shocked by supernova remnants, and provide density estimates thereof. Modeling of the optical depth of the NH$_3$(3,3) emission is compared to that of CH$_3$OH, constraining the densities of the clumps to a typical density of the order of $10^5$~cm$^{-3}$ for ...

  19. Identification of solar vibration-rotation lines of NH and the solar nitrogen abundance

    NARCIS (Netherlands)

    Grevesse, N.; Lambert, D.L.; Sauval, A.J.; Dishoeck, van E.F.; Farmer, C.B.; Norton, R.H.

    1990-01-01

    High resolution solar spectra obtained from the ATMOS Fourier Transform Spectrometer (Spacelab 3 flight on April 29 - May 6, 1985) made it possible to detect for the first time vibration-rotation lines of NH from the X3 Sigma(-) state near 3 microns. Using recent theoretical results for the transiti

  20. NH4HCO3 gas-generating liposomal nanoparticle for photoacoustic imaging in breast cancer

    Directory of Open Access Journals (Sweden)

    Xia J

    2017-03-01

    Full Text Available Jizhu Xia, Gang Feng, Xiaorong Xia, Lan Hao, Zhigang Wang Chongqing Key Laboratory of Ultrasound Molecular Imaging, Department of Ultrasound, The Second Affiliated Hospital of Chongqing Medical University, Chongqing, People’s Republic of China Abstract: In this study, we have developed a biodegradable nanomaterial for photoacoustic imaging (PAI. Its biodegradation products can be fully eliminated from a living organism. It is a gas-generating nanoparticle of liposome-encapsulating ammonium bicarbonate (NH4HCO3 solution, which is safe, effective, inexpensive, and free of side effects. When lasers irradiate these nanoparticles, NH4HCO3 decomposes to produce CO2, which can absorb much of the light energy under laser irradiation with a specific wavelength, and then expand under heat to generate a thermal acoustic wave. An acoustic detector can detect this wave and show it as a photoacoustic signal on a display screen. The intensity of the photoacoustic signal is enhanced corresponding to an increase in time, concentration, and temperature. During in vivo testing, nanoparticles were injected into tumor-bearing nude mice through the caudal vein, and photoacoustic signals were detected from the tumor, reaching a peak in 4 h, and then gradually disappearing. There was no damage to the skin or subcutaneous tissue from laser radiation. Our developed gas-generating nanomaterial, NH4HCO3 nanomaterial, is feasible, effective, safe, and inexpensive. Therefore, it is a promising material to be used in clinical PAI. Keywords: Photoacoustic tomography, CO2, NH4HCO3, contrast agent, cancer

  1. Synthesis and Characterization of Th2N2(NH) Isomorphous to Th2N3

    Energy Technology Data Exchange (ETDEWEB)

    Silva, G W Chinthaka M [ORNL; Yeamans, Charles B. [University of California, Berkeley; Hunn, John D [ORNL; Sattelberger, Alfred P [Argonne National Laboratory (ANL); Czerwinski, Ken R. [University of Nevada, Las Vegas; Weck, Dr. Phil F [University of Nevada, Las Vegas

    2012-01-01

    Using a new, low-temperature, fluoride-based process, thorium nitride imide of the chemical formula Th{sub 2}N{sub 2}(NH) was synthesized from thorium dioxide via an ammonium thorium fluoride intermediate. The resulting product phase was characterized by powder X-ray diffraction (XRD) analysis and was found to be crystallographically similar to Th{sub 2}N{sub 3}. Its unit cell was hexagonal with a space group of P3m{bar 1} and lattice parameters of a = b = 3.886(1) and c = 6.185(2) {angstrom}. The presence of -NH in the nitride phase was verified by Fourier transform infrared spectroscopy (FTIR). Total energy calculations performed using all-electron scalar relativistic density functional theory (DFT) showed that the hydrogen atom in the Th{sub 2}N{sub 2}(NH) prefers to bond with nitrogen atoms occupying 1a Wyckoff positions of the unit cell. Lattice fringe disruptions observed in nanoparticle areas of the nitride species by high-resolution transmission electron microscopic (HRTEM) images also displayed some evidence for the presence of -NH group. As ThO{sub 2} was identified as an impurity, possible reaction mechanisms involving its formation are discussed.

  2. A receptor incorporating OH, NH and CH binding motifs for a fluoride selective chemosensor.

    Science.gov (United States)

    Xu, Liang; Li, Yongjun; Yu, Yanwen; Liu, Taifeng; Cheng, Songhua; Liu, Huibiao; Li, Yuliang

    2012-06-14

    An anion receptor combined different types of hydrogen bond donors such as OH, NH and CH groups has been synthesized. By rotation of the sub methyl group, this receptor showed evident (1)H NMR response to both fluoride and sulfate, while colorimetric and fluorescent responses were only observed in the presence of fluoride.

  3. Diagnostic NH and OH Vibrations for Oxazolone and Diketopiperazine Structures: b2 from Protonated Triglycine

    Science.gov (United States)

    Wang, Da; Gulyuz, Kerim; Stedwell, Corey N.; Polfer, Nick C.

    2011-07-01

    We present infrared multiple photon dissociation (IRMPD) spectra in the hydrogen stretching region of the simplest b fragment, b2 from protonated triglycine, contrasted to that of protonated cyclo(Gly-Gly). Both spectra confirm the presence of intense, diagnostic vibrations linked to the site of proton attachment. Protonated cyclo(Gly-Gly) serves as a reference spectrum for the diketopiperazine structure, showing a diagnostic O-H+ stretch of the protonated carbonyl group at 3585 cm-1. Conversely, b2 from protonated triglycine exhibits a strong band at 3345 cm-1, associated with the N-H stretching mode of the protonated oxazolone ring structure. Other weaker N-H stretches can also be discerned, such as the amino NH2 and amide NH bands. These results demonstrate the usefulness of the hydrogen stretching region, and hence benchtop optical parametric oscillator/amplifier (OPO/A) set-ups, in making structural assignments of product ions in collision-induced dissociation (CID) of peptides.

  4. VizieR Online Data Catalog: 15NH2 amidogen radical rotational spectrum (M

    Science.gov (United States)

    Margules, L.; Martin-Drumel, M. A.; Pirali, O.; Bailleux, S.; Wlodarczak, G.; Roy, P.; Roueff, E.; Gerin, M.

    2016-04-01

    Measured frequencies and residuals from the global fit of the Infrared, and submillimeter-wave data for 15NH2 and files used for SPFIT. Detailled explanations on SPFIT could be found at https://www.astro.uni-koeln.de/cdms/pickett (4 data files).

  5. Rapid Microwave Synthesis, Characterization and Reactivity of Lithium Nitride Hydride, Li4NH

    Directory of Open Access Journals (Sweden)

    Nuria Tapia-Ruiz

    2013-11-01

    Full Text Available Lithium nitride hydride, Li4NH, was synthesised from lithium nitride and lithium hydride over minute timescales, using microwave synthesis methods in the solid state for the first time. The structure of the microwave-synthesised powders was confirmed by powder X-ray diffraction [tetragonal space group I41/a; a = 4.8864(1 Å, c = 9.9183(2 Å] and the nitride hydride reacts with moist air under ambient conditions to produce lithium hydroxide and subsequently lithium carbonate. Li4NH undergoes no dehydrogenation or decomposition [under Ar(g] below 773 K. A tetragonal–cubic phase transition, however, occurs for the compound at ca. 770 K. The new high temperature (HT phase adopts an anti-fluorite structure (space group Fm 3̅ m; a = 4.9462(3 Å with N3− and H− ions disordered on the 4a sites. Thermal treatment of Li4NH under nitrogen yields a stoichiometric mixture of lithium nitride and lithium imide (Li3N and Li2NH respectively.

  6. Parametrization of electron impact ionization cross sections for CO, CO2, NH3 and SO2

    Science.gov (United States)

    Srivastava, Santosh K.; Nguyen, Hung P.

    1987-01-01

    The electron impact ionization and dissociative ionization cross section data of CO, CO2, CH4, NH3, and SO2, measured in the laboratory, were parameterized utilizing an empirical formula based on the Born approximation. For this purpose an chi squared minimization technique was employed which provided an excellent fit to the experimental data.

  7. Fabrication and characterization of perovskite-based CH{sub 3}NH{sub 3}Pb{sub 1-x}Ge{sub x}I{sub 3}, CH{sub 3}NH{sub 3}Pb{sub 1-x}Tl{sub x}I{sub 3} and CH{sub 3}NH{sub 3}Pb{sub 1-x}In{sub x}I{sub 3} photovoltaic devices

    Energy Technology Data Exchange (ETDEWEB)

    Ohishi, Yuya; Oku, Takeo, E-mail: oku@mat.usp.ac.jp; Suzuki, Atsushi [Department of Materials Science, The University of Shiga Prefecture 2500 Hassaka, Hikone, Shiga 522-8533 (Japan)

    2016-02-01

    Perovskite-type CH{sub 3}NH{sub 3}PbI{sub 3}-based photovoltaic devices were fabricated and characterized. Doping effects of thallium (Tl), indium (In), or germanium (Ge) element on the photovoltaic properties and surface structures of the perovskite phase were investigated. The open circuit voltage increased by Ge addition, and fill factors were improved by adding a small amount of Ge, Tl or In. In addition, the wavelength range of incident photon conversion efficiencies was expanded by the Tl addition.

  8. Comparative 4-E analysis of a bottoming pure NH3 and NH3-H2O mixture based power cycle for condenser waste heat recovery

    Science.gov (United States)

    Khankari, Goutam; Karmakar, Sujit

    2017-06-01

    This paper proposes a comparative performance analysis based on 4-E (Energy, Exergy, Environment, and Economic) of a bottoming pure Ammonia (NH3) based Organic Rankine Cycle (ORC) and Ammonia-water (NH3-H2O) based Kalina Cycle System 11(KCS 11) for additional power generation through condenser waste heat recovery integrated with a conventional 500MWe Subcritical coal-fired thermal power plant. A typical high-ash Indian coal is used for the analysis. The flow-sheet computer programme `Cycle Tempo' is used to simulate both the cycles for thermodynamic performance analysis at different plant operating conditions. Thermodynamic analysis is done by varying different NH3 mass fraction in KCS11 and at different turbine inlet pressure in both ORC and KCS11. Results show that the optimum operating pressure of ORC and KCS11 with NH3 mass fraction of 0.90 are about 15 bar and 11.70 bar, respectively and more than 14 bar of operating pressure, the plant performance of ORC integrated power plant is higher than the KCS11 integrated power plant and the result is observed reverse below this pressure. The energy and exergy efficiencies of ORC cycle are higher than the KCS11 by about 0.903 % point and 16.605 % points, respectively under similar saturation vapour temperature at turbine inlet for both the cycles. Similarly, plant energy and exergy efficiencies of ORC based combined cycle power plant are increased by 0.460 % point and 0.420 % point, respectively over KCS11 based combined cycle power plant. Moreover, the reduction of CO2 emission in ORC based combined cycle is about 3.23 t/hr which is about 1.5 times higher than the KCS11 based combined cycle power plant. Exergy destruction of the evaporator in ORC decreases with increase in operating pressure due to decrease in temperature difference of heat exchanging fluids. Exergy destruction rate in the evaporator of ORC is higher than KCS11 when the operating pressure of ORC reduces below 14 bar. This happens due to variable

  9. Exports of dissolved ammonium (NH(4)(+)) during storm events across multiple catchments in a glaciated forested watershed.

    Science.gov (United States)

    Inamdar, Shreeram

    2007-10-01

    Storm event exports of dissolved NH(4)(+) were explored for multiple events in the Point Peter Brook watershed (PPBW), a glaciated, forested watershed located in Western New York, USA. Investigations were performed across four catchments (1.6-696 ha) with varying topography and the extent of surface-saturated areas. While wetland and riparian waters were important sources of NH(4)(+) during non-storm periods, throughfall and litter leachate were the dominant contributors of NH(4)(+) during storm events. Ammonium concentrations in catchment discharge displayed a sinusoidal seasonal pattern with a maximum during early spring (March) and a minimum in late summer (August-September). Storm event concentrations of NH(4)(+) in streamflow were much greater than baseflow values and showed a consistent temporal pattern with an increase in concentrations on the hydrograph rising limb, a peak at or before the discharge peak, followed by a decline in concentrations. Storm event patterns of DON were similar to NH(4)(+) while the patterns of [Formula: see text]differed from NH(4)(+) for the summer and fall events. The storm event expression of NH(4)(+) was attributed to throughfall and throughfall-mediated leaching of the litter layer. The reactive behavior of NH(4)(+) precluded its use in an end member mixing model (EMMA) for predicting streamflow concentrations. While concentrations of NH(4)(+) in precipitation and streamflow were high for the spring events, exports of NH(4)(+) in streamflow were highest for the large and intense storm events. Baseflow NH(4)(+) concentrations increased with the percent wetland/saturated area in the catchment but the same trend did not hold for storm-event concentrations.

  10. Adsorption of fluoride to UiO-66-NH2 in water: Stability, kinetic, isotherm and thermodynamic studies.

    Science.gov (United States)

    Lin, Kun-Yi Andrew; Liu, Yu-Ting; Chen, Shen-Yi

    2016-01-01

    To provide safe drinking water, fluoride in water must be removed and adsorption processes appear to be the most widely used method. Metal organic frameworks (MOFs) represent a new class of adsorbents that have been used in various adsorption applications. To study the adsorption mechanism of fluoride to MOFs in water and obtain related adsorption parameters, we synthesized a zirconium-based MOF with a primary amine group on its ligand, named UiO-66-NH2. The kinetics, adsorption isotherm and thermodynamics of fluoride adsorption to UiO-66-NH2 were investigated. The crystalline structure of UiO-66-NH2 remained intact and the local structure of zirconium in UiO-66-NH2 did not change significantly after being exposed to fluoride. The kinetics of the fluoride adsorption in UiO-66-NH2 could be well represented by the pseudo second order rate law. The enthalpy of the adsorption indicates that the F(-) adsorption to UiO-66-NH2 was classified as a physical adsorption. However, the comparison between the adsorption capacities of UiO-66-NH2 and UiO-66 suggests that the fluoride adsorption to UiO-66-NH2 might primarily involve a strong interaction between F(-) and the metal site. The fluoride adsorption capacity of UiO-66-NH2 was found to decrease when pH>7. While the presence of chloride/bromide ions did not noticeably change the adsorption capacity of UiO-66-NH2, the ionic surfactants slightly affected the adsorption capacity of UiO-66-NH2. These findings provide insights to further optimize the adsorption process for removal of fluoride using zirconium-based MOFs.

  11. In-situ and Real-time Monitoring of Mechanochemical Preparation of Li2Mg(NH2BH3)4 and Na2Mg(NH2BH3)4 and their Thermal Dehydrogenation.

    Science.gov (United States)

    Biliskov, Nikola; Borgschulte, Andreas; Užarević, Krunoslav; Halasz, Ivan; Lukin, Stipe; Milošević, Sanja; Milanović, Igor; Grbović Novaković, Jasmina

    2017-09-13

    For the first time, in-situ monitoring of uninterrupted mechanochemical synthesis of two bimetallic amidoboranes,M2Mg(NH2BH3)4 (M = Li, Na), by means of Raman spectroscopy has been applied. This approach allowed real-time observation of key intermediate phases and a straightforward follow-up of the reaction course. Detailed analysis of time-dependent spectra revealed a two-step mechanism through MNH2BH3.NH3BH3 adducts as key intermediate phases which further reacted with MgH2, giving M2Mg(NH2BH3)4 as final products. The intermediates partially take a competitive pathway toward the oligomeric M(BH3NH2BH2NH2BH3) phases. The crystal structure of the novel bimetallic amidoborane Li2Mg(NH2BH3)4 was solved from high-resolution powder diffraction data and showed an analogous metal coordination as in Na2Mg(NH2BH3)4, but a significantly different crystal packing. Li2Mg(NH2BH3)4 thermally dehydrogenates releasing highly pure H2 in the amount of 7 wt% and at a lower temperature then its sodium analogue making it significantly more viable for practical applications. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  12. Effect of metal ions doping (M = Ti4+, Sn4+) on the catalytic performance of MnOx/CeO2 catalyst for low temperature selective catalytic reduction of NO with NH3

    Science.gov (United States)

    Xiong, Yan; Tang, Changjin; Dong, Lin

    2015-04-01

    Key Laboratory of Mesoscopic Chemistry of MOE, School of Chemistry and Chemical Engineering, Nanjing University, Nanjing 210093, PR China The abatement of nitrogen oxides (NOx) emission from exhaust gases of diesel and stationary sources is a significant challenge for economic and social development. Ceria-based solid solutions were synthesized and used as supports to prepare MnOx/Ce0.8Ti0.2O2 and MnOx/Ce0.8Sn0.2O2 catalysts (Mn/CeTi and Mn/CeSn) for low temperature selective catalytic reduction of NO by NH3 (NH3-SCR). The effects of Ti or Sn doping on the catalytic performance of MnOx/CeO2 catalyst were investigated. Experimental results show that doping of Ti or Sn increases the NO removal efficiency of MnOx/CeO2. The NO conversion of Mn/CeTi catalyst is more than 90 % at temperature window of 175 ~ 300 °C under a gas hour space velocity of 60,000 mL.g-1.h-1. Modified catalysts are also found to exhibit greatly improved resistance to sulfur-poisoning. NH3-TPD results suggest that NH3 desorption on the catalysts is observed over a wide temperature range, due to the variability of adsorbed NH3 species with different thermal stabilities. Doping of Ti and Sn into Mn/CeO2 greatly increased the NH3 adsorption ability of the composites which could promote the SCR reaction. Characterization results also indicate that doping of Ti or Sn brings about catalysts with higher BET surface area, enhanced oxygen storage capacity and increased surface acidity.

  13. Effect of Na+ impregnated activated carbon on the adsorption of NH4(+)-N from aqueous solution.

    Science.gov (United States)

    Shi, Mo; Wang, Zhengfang; Zheng, Zheng

    2013-08-01

    Two kinds of activated carbons modified by Na+ impregnation after pre-treatments involving oxidation by nitric acid or acidification by hydrochloric acid (denoted as AC/N-Na and AC/HCl-Na, respectively), were used as adsorbents to remove NH4(+)-N. The surface features of samples were investigated by BET, SEM, XRD and FT-IR. The adsorption experiments were conducted in equilibrium and kinetic conditions. Influencing factors such as initial solution pH and initial concentration were investigated. A possible mechanism was proposed. Results showed that optimal NH4(+)-N removal efficiency was achieved at a neutral pH condition for the modified ACs. The Langmuir isotherm adsorption equation provided a better fit than other models for the equilibrium study. The adsorption kinetics followed both the pseudo second-order kinetics model and intra-particle kinetic model. Chemical surface analysis indicated that Na+ ions form ionic bonds with available surface functional groups created by pre-treatment, especially oxidation by nitric acid, thus increasing the removal efficiency of the modified ACs for NH4(+)-N. Na(+)-impregnated ACs had a higher removal capability in removing NH4(+)-N than unmodified AC, possibly resulting from higher numbers of surface functional groups and better intra-particle diffusion. The good fit of Langmuir isotherm adsorption to the data indicated the presence of monolayer NH4(+)-N adsorption on the active homogenous sites within the adsorbents. The applicability of pseudo second-order and intra-particle kinetic models revealed the complex nature of the adsorption mechanism. The intra-particle diffusion model revealed that the adsorption process consisted not only of surface adsorption but also intra-particle diffusion.

  14. Mesoscopic CH 3 NH 3 PbI 3 /TiO 2 Heterojunction Solar Cells

    KAUST Repository

    Etgar, Lioz

    2012-10-24

    We report for the first time on a hole conductor-free mesoscopic methylammonium lead iodide (CH 3NH 3PbI 3) perovskite/TiO 2 heterojunction solar cell, produced by deposition of perovskite nanoparticles from a solution of CH 3NH 3I and PbI 2 in γ-butyrolactone on a 400 nm thick film of TiO 2 (anatase) nanosheets exposing (001) facets. A gold film was evaporated on top of the CH 3NH 3PbI 3 as a back contact. Importantly, the CH 3NH 3PbI 3 nanoparticles assume here simultaneously the roles of both light harvester and hole conductor, rendering superfluous the use of an additional hole transporting material. The simple mesoscopic CH 3NH 3PbI 3/TiO 2 heterojunction solar cell shows impressive photovoltaic performance, with short-circuit photocurrent J sc= 16.1 mA/cm 2, open-circuit photovoltage V oc = 0.631 V, and a fill factor FF = 0.57, corresponding to a light to electric power conversion efficiency (PCE) of 5.5% under standard AM 1.5 solar light of 1000 W/m 2 intensity. At a lower light intensity of 100W/m 2, a PCE of 7.3% was measured. The advent of such simple solution-processed mesoscopic heterojunction solar cells paves the way to realize low-cost, high-efficiency solar cells. © 2012 American Chemical Society.

  15. Kinetics of sup 15 NH sub 4 sup + assimilation in Zea mays

    Energy Technology Data Exchange (ETDEWEB)

    Magalhaes, J.R.; Ju, G.C.; Rich, P.J.; Rhodes, D. (EMBRAPA-Centro Nacional de Pesquisa de Hortalicas-CNPH, Brasilia-D.F. (Brazil) Purdue Univ., West Lafayette, IN (USA))

    1990-10-01

    Comparative studies of {sup 15}NH{sub 4}{sup +} assimilation were undertaken with a GDH1-null mutant of Zea mays and a related (but not strictly isogenic) GDH1-positive wild type from which this mutant was derived. The kinetics of {sup 15}NH{sub 4}{sup +} assimilation into free amino acids and total reduced nitrogen were monitored in both roots and shoots of 2-week-old seedlings supplied with 5 millimolar 99% ({sup 15}NH{sub 4}){sub 2}SO{sub 4} via the aerated root medium in hydroponic culture over a 24-h period. The GDH1-null mutant, with a 10- to 15-fold lower total root GDH activity in comparison to the wild type, was found to exhibit a 40 to 50% lower rate of {sup 15}NH{sub 4}{sup +} assimilation into total reduced nitrogen. The lower rates of {sup 15}NH{sub 4}{sup +} assimilation in the mutant was associated with lower rates of labeling of several free amino acids (including glutamate, glutamine-amino N, aspartate, asparagine-amino N, and alanine) in both roots and shoots of the mutant in comparison to the wild type. Qualitatively, these labeling kinetics appear consistent with a reduced flux of {sup 15}N via glutamate in the GDH1-null mutant. However, the responses of the two genotypes to the potent inhibitor of glutamine synthetase, methionine sulfoximine, and differences in morphology of the two genotypes (particularly a lower shoot:root ratio in the GDH1-null mutant) urge caution in concluding that GDH1 is solely responsible for these differences in ammonia assimilation rate.

  16. New methods to quantify NH3 volatilization from fertilized surface soil with urea

    Directory of Open Access Journals (Sweden)

    Ana Carolina Alves

    2011-02-01

    Full Text Available Gaseous N losses from soil are considerable, resulting mostly from ammonia volatilization linked to agricultural activities such as pasture fertilization. The use of simple and accessible measurement methods of such losses is fundamental in the evaluation of the N cycle in agricultural systems. The purpose of this study was to evaluate quantification methods of NH3 volatilization from fertilized surface soil with urea, with minimal influence on the volatilization processes. The greenhouse experiment was arranged in a completely randomized design with 13 treatments and five replications, with the following treatments: (1 Polyurethane foam (density 20 kg m-3 with phosphoric acid solution absorber (foam absorber, installed 1, 5, 10 and 20 cm above the soil surface; (2 Paper filter with sulfuric acid solution absorber (paper absorber, 1, 5, 10 and 20 cm above the soil surface; (3 Sulfuric acid solution absorber (1, 5 and 10 cm above the soil surface; (4 Semi-open static collector; (5 15N balance (control. The foam absorber placed 1 cm above the soil surface estimated the real daily rate of loss and accumulated loss of NH3N and proved efficient in capturing NH3 volatized from urea-treated soil. The estimates based on acid absorbers 1, 5 and 10 cm above the soil surface and paper absorbers 1 and 5 cm above the soil surface were only realistic for accumulated N-NH3 losses. Foam absorbers can be indicated to quantify accumulated and daily rates of NH3 volatilization losses similarly to an open static chamber, making calibration equations or correction factors unnecessary.

  17. Effect of Na+ impregnated activated carbon on the adsorption of NH+4-N from aqueous solution

    Institute of Scientific and Technical Information of China (English)

    Mo Shi; Zhengfang Wang; Zheng Zheng

    2013-01-01

    Two kinds of activated carbons modified by Na+ impregnation after pre-treatments involving oxidation by nitric acid or acidification by hydrochloric acid (denoted as AC/N-Na and AC/HCl-Na,respectively),were used as adsorbents to remove NH4+-N.The surface features of samples were investigated by BET,SEM,XRD and FT-IR.The adsorption experiments were conducted in equilibrium and kinetic conditions.Influencing factors such as initial solution pH and initial concentration were investigated.A possible mechanism was proposed.Results showed that optimal NH4+-N removal efficiency was achieved at a neutral pH condition for the modified ACs.The Langmuir isotherm adsorption equation provided a better fit than other models for the equilibrium study.The adsorption kinetics followed both the pseudo second-order kinetics model and intra-particle kinetic model.Chemical surface analysis indicated that Na+ ions form ionic bonds with available surface functional groups created by pre-treatment,especially oxidation by nitric acid,thus increasing the removal efficiency of the modified ACs for NH4+-N.Na+-impregnated ACs had a higher removal capability in removing NH4+-N than unmodified AC,possibly resulting from higher numbers of surface functional groups and better intra-particle diffusion.The good fit of Langmuir isotherm adsorption to the data indicated the presence of monolayer NH4+-N adsorption on the active homogenous sites within the adsorbents.The applicability of pseudo second-order and intra-particle kinetic models revealed the complex nature of the adsorption mechanism.The intra-particle diffusion model revealed that the adsorption process consisted not only of surface adsorption but also intra-particle diffusion.

  18. Absorption enhancement in CH3NH3PbI3 solar cell using a TiO2/MoS2 nanocomposite electron selective contact

    Science.gov (United States)

    Imran Ahmed, Muhammad; Hussain, Zakir; Khalid, Amir; Noman Amin, Hafiz Muhammad; Habib, Amir

    2016-04-01

    In the present contribution, perovskite absorbers have been combined with few layer thick MoS2 semiconductor to put together a solar cell allowing broad spectrum harvesting of solar radiations. Such modification allows to achieve solar light harvesting at the band edges, addressing a drawback of CH3NH3PbI3 absorbers. We recorded an improved efficiency from 3.7% to 4.3% on the back of this methodology. We have also worked out a novel methodology to synthesize TiO2/MoS2 nanocomposite by in situ dispersion of liquid exfoliated MoS2 sheets in the sol gel reaction.

  19. Low-voltage polymer thin-film transistors with high-k HfTiO gate dielectric annealed in NH3 or N2

    OpenAIRE

    Choi, HW; Lai, PT; Xu, JP; Deng, LF; Liu, YR

    2009-01-01

    OTFTs with P3HT as organic semiconductor and HfTiO as gate dielectric have been studied in this work. The HfTiO dielectric film was prepared by RF sputtering of Hf and DC sputtering of Ti at room temperature. Subsequently, the dielectric film was annealed in an NH3 or N2 ambient at 200 °C. Then a layer of OTS was deposited by spin-coating method to improve the surface characteristics of the gate dielectric. Afterwards, P3HT was deposited by spin-coating method. The OTFTs were characterized by...

  20. Mechanism of (NH{sub 4})S{sub 2}O{sub 8} to enhance the anti-corrosion performance of Mo-Ce inhibitor on X80 steel in acid solution

    Energy Technology Data Exchange (ETDEWEB)

    Zhu, Yanhua [School of Materials Science and Engineering, Southwest Petroleum University, Chengdu 610500 (China); Zhuang, Jia, E-mail: zj-656@163.com [School of Materials Science and Engineering, Southwest Petroleum University, Chengdu 610500 (China); Zeng, Xianguang [Material Corrosion and Protection Key Laboratory of Sichuan Province, Zigong 643000 (China); Institute of Materials and Chemical Engineering, Sichuan University of Science and Engineering, Zigong 643000 (China)

    2014-09-15

    Highlights: • The 1000 mg/L Na{sub 2}MoO{sub 4} and 500 mg/L Ce(NO{sub 3}){sub 3} has best synergistic effect. • The (NH{sub 4}){sub 2}S{sub 2}O{sub 8} made the valence transformation of cerium (Ce{sup 3+} → Ce{sup 4+}) come true. • The anti-corrosion performance of Mo-Ce inhibitor was improved by (NH{sub 4}){sub 2}S{sub 2}O{sub 8}. • The coordination ability of inhibitor complexes was improved by (NH{sub 4}){sub 2}S{sub 2}O{sub 8}. • The bonding force and adsorption between inhibitor and steel surface was enhanced. - Abstract: Ce(NO{sub 3}){sub 3} and Na{sub 2}MoO{sub 4} are adopted to form (Mo-Ce) composite corrosion inhibitor in allusion to the corrosion problem of steel in acidic conditions. The experimental results showed that the anticorrosion effects were enhanced and the inhibition efficiencies were increased by (NH{sub 4}){sub 2}S{sub 2}O{sub 8}. The reason of enhancement is the increase of coordination bonds amount between Ce{sup 4+} and MoO{sub 4}{sup 2−}, the augment of combining sites of interface between anti-corrosion film and steel, and the reinforce of adsorption caused by the transformation of Ce{sup 3+} to Ce{sup 4+} by oxidants. The process and conditions for transformation of Ce{sup 3+} to Ce{sup 4+} and formation of complexes are discussed. The related thermodynamic and kinetic parameters are calculated and the possibility for (NH{sub 4}){sub 2}S{sub 2}O{sub 8} to improve the performance of Mo-Ce corrosion inhibitor is proved.

  1. NH4Cl对机械活化Al粉燃烧合成AlN的控制%Effects of NH4CI on the synthesis of aluminum nitride by the spontaneous combustion of mechanically activated aluminium powder

    Institute of Scientific and Technical Information of China (English)

    刘建平; 张晖

    2011-01-01

    添加NH4Cl到经由高能球磨制得的机械活化铝粉中后,铝粉在空气中于室温下即可发生自燃反应.本研究通过含有不同量NH4Cl的机械活化铝粉的自燃制得了Al2O3-AlN疏松粉末,并研究了NH4CL添加量对燃烧产物成分和结构的控制.结果表明:NH4Cl不仅控制了产物的形貌,而且改变了铝粉的氮化初理.在NH4Cl添加量为3%~5%(质量分数)时,所得燃烧产物颗粒大小相对较均匀,并含有700%(质量分数)以上的AlN.%With the addition of NH4CI, the mechanically activated aluminum powder made by high energy ball milling could bum spontaneously in air at room temperature with the formation of Al2O3-AIN powder. In this study, AIN powders were prepared by the spontaneous combustion of aluminum powder including different amounts of NH4CI. The effects of NH4Cl content on the composition and structure of the combustion product were studied by characterizing the phase and morphology of combustion products. The results show that NH4CI not only affects the morphology of products, but also changes the nitridation mechanism of aluminum powder. When 3%~5% (mass fraction) NH4CI is added, the sizes of particles included in the combustion product show small variation and the content of AIN in the combustion product is above 70% (mass fraction).

  2. Effect of organic chain length on structure, electronic composition, lattice potential energy, and optical properties of 2D hybrid perovskites [(NH3)(CH2) n (NH3)]CuCl4, n = 2-9

    Science.gov (United States)

    Abdel-Aal, Seham K.; Kocher-Oberlehner, Gudrun; Ionov, Andrei; Mozhchil, R. N.

    2017-08-01

    Diammonium series of Cu hybrid perovskites of the formula [(NH3)(CH2) n (NH3)]CuCl4, n = 6-9 are prepared from an ethanolic solution in stoichiometric ratio 1:1 (organic/inorganic). Formation of the desired material was confirmed and characterizes by microchemical analysis, FTIR, XRD and XPS spectra. The structure consists of corner-shared octahedron [CuCl4]2- anion alternative by organic [(NH3)(CH2) n (NH3)]2+ cations. The organic and inorganic layers form infinite 2D sheet that are connected via NH···Cl hydrogen bond. The calculated lattice potential energy U pot (kJ/mol) and lattice enthalpy Δ H L (kJ/mol) are inversely proportional to the molecular volume V m (nm3) and organic chain length. Optical properties show strong absorption peak at UV-visible range. The band gap energy calculated using Kubelka-Munk equation shows the decrease of the energy gap as organic chain length increases. The introduction of bromide ion to [(NH3)(CH2) n (NH3)]CuCl2Br2 denoted 2C7CuCB hybrid has shifted the energy gap to lower values from 2.6 to 2.18 eV for 2C7CuCl (yellow) and 2C7CuCB (brown), respectively, at the same organic chain length. All elements of [(NH3)(CH2)9(NH3)]CuCl4 and [(NH3)(CH2)7(NH3)]CuCl2Br2 were found in XPS spectra, as well as valence band spectra.

  3. Comparison of measured NH4 level and NO emission to declared tar and nicotine values of hundred cigarette brands

    NARCIS (Netherlands)

    Brunt TM; Verlaan APJ; Cleven RFMJ; Rambali B; Vleeming W; LEO; LAC; LPI

    2003-01-01

    De algemene hypothese bestaat dat NH4 gehalte in sigaretten en NO concentratie in sigarettenrook de nicotine beschikbaarheid in de longen beinvloedt en daardoor ook een factor speelt bij de tabaksverslaving. Een correlatie tussen het NH4 gehalte, de NO emissie en de gedeclareerde nicotine waarde

  4. Complete genome sequence of the cystic fibrosis pathogen Achromobacter xylosoxidans NH44784-1996 complies with important pathogenic phenotypes

    DEFF Research Database (Denmark)

    Jakobsen, Tim Holm; Hansen, Martin Asser; Jensen, Peter Østrup;

    2013-01-01

    present a complete assembly of the genome of A. xylosoxidans NH44784-1996, an isolate from a cystic fibrosis patient obtained in 1996. The genome of A. xylosoxidans NH44784-1996 contains approximately 7 million base pairs with 6390 potential protein-coding sequences. We identified several features...

  5. Confirmation of Isolated Cu2+ Ions in SSZ-13 Zeolite as Active Sites in NH3-Selective Catalytic Reduction

    NARCIS (Netherlands)

    Deka, U.; Juhin, A.F.; Eilertsen, E.A.; Emerich, H.; Green, M.A.; Korhonen, S.T.; Weckhuysen, B.M.; Beale, A.M.

    2012-01-01

    NH3-Selective Catalytic Reduction (NH3-SCR) is a widely used technology for NOx reduction in the emission control systems of heavy duty diesel vehicles. Copper-based ion exchanged zeolites and in particular Cu-SSZ-13 (CHA framework) catalysts show both exceptional activity and hydrothermal stability

  6. A Guided-Ion Beam Study of the O+(4S) + NH3 System at Hyperthermal Energies

    Science.gov (United States)

    2008-07-14

    0+ + NH3.6 This work suggests that additional channels, leading to the formation of NH?+ (not distinguishable in the experiment) and HiO + are...a small channel and there are no coincident ions (for ND? reactions, D?0+ coincides with ND4 +, a secondary product). The HiO + cross section is

  7. Solid-phase synthesis of NH-1,2,3-triazoles using 4,4′- bismethoxybenzhydryl azide

    DEFF Research Database (Denmark)

    Cohrt, Anders Emil O'Hanlon; Le Quement, Sebastian Thordal; Nielsen, Thomas Eiland

    2014-01-01

    Readily available 4,4′-bismethoxybenzhydryl azide was found to be a useful building block for the synthesis of NH-1,2,3-triazoles through copper(I)-catalyzed cycloaddition reactions with solid-supported terminal alkynes, followed by acid-mediated deprotection. Peptide-containing NH-1,2,3-triazoles...

  8. HEPPA-II model-measurement intercomparison project: EPP indirect effects during the dynamically perturbed NH winter 2008-2009

    Science.gov (United States)

    Funke, Bernd; Ball, William; Bender, Stefan; Gardini, Angela; Harvey, V. Lynn; Lambert, Alyn; López-Puertas, Manuel; Marsh, Daniel R.; Meraner, Katharina; Nieder, Holger; Päivärinta, Sanna-Mari; Pérot, Kristell; Randall, Cora E.; Reddmann, Thomas; Rozanov, Eugene; Schmidt, Hauke; Seppälä, Annika; Sinnhuber, Miriam; Sukhodolov, Timofei; Stiller, Gabriele P.; Tsvetkova, Natalia D.; Verronen, Pekka T.; Versick, Stefan; von Clarmann, Thomas; Walker, Kaley A.; Yushkov, Vladimir

    2017-03-01

    to a combination of prescribed NOx mixing ratio at the uppermost model layer and low vertical resolution. In March-April, after the ES event, however, modelled mesospheric and stratospheric NOx distributions deviate significantly from the observations. The too-fast and early downward propagation of the NOx tongue, encountered in most simulations, coincides with a temperature high bias in the lower mesosphere (0.2-0.05 hPa), likely caused by an overestimation of descent velocities. In contrast, upper-mesospheric temperatures (at 0.05-0.001 hPa) are generally underestimated by the high-top models after the onset of the ES event, being indicative for too-slow descent and hence too-low NOx fluxes. As a consequence, the magnitude of the simulated NOx tongue is generally underestimated by these models. Descending NOx amounts simulated with medium-top models are on average closer to the observations but show a large spread of up to several hundred percent. This is primarily attributed to the different vertical model domains in which the NOx upper boundary condition is applied. In general, the intercomparison demonstrates the ability of state-of-the-art atmospheric models to reproduce the EPP indirect effect in dynamically and geomagnetically quiescent NH winter conditions. The encountered differences between observed and simulated NOx, CO, and temperature distributions during the perturbed phase of the 2009 NH winter, however, emphasize the need for model improvements in the dynamical representation of elevated stratopause events in order to allow for a better description of the EPP indirect effect under these particular conditions.

  9. Method and structure for cache aware transposition via rectangular subsections

    Science.gov (United States)

    Gustavson, Fred Gehrung; Gunnels, John A

    2014-02-04

    A method and structure for transposing a rectangular matrix A in a computer includes subdividing the rectangular matrix A into one or more square submatrices and executing an in-place transposition for each of the square submatrices A.sub.ij.

  10. Facile fabrication of large-grain CH3NH3PbI3-xBrx films for high-efficiency solar cells via CH3NH3Br-selective Ostwald ripening

    Science.gov (United States)

    Yang, Mengjin; Zhang, Taiyang; Schulz, Philip; Li, Zhen; Li, Ge; Kim, Dong Hoe; Guo, Nanjie; Berry, Joseph J.; Zhu, Kai; Zhao, Yixin

    2016-08-01

    Organometallic halide perovskite solar cells (PSCs) have shown great promise as a low-cost, high-efficiency photovoltaic technology. Structural and electro-optical properties of the perovskite absorber layer are most critical to device operation characteristics. Here we present a facile fabrication of high-efficiency PSCs based on compact, large-grain, pinhole-free CH3NH3PbI3-xBrx (MAPbI3-xBrx) thin films with high reproducibility. A simple methylammonium bromide (MABr) treatment via spin-coating with a proper MABr concentration converts MAPbI3 thin films with different initial film qualities (for example, grain size and pinholes) to high-quality MAPbI3-xBrx thin films following an Ostwald ripening process, which is strongly affected by MABr concentration and is ineffective when replacing MABr with methylammonium iodide. A higher MABr concentration enhances I-Br anion exchange reaction, yielding poorer device performance. This MABr-selective Ostwald ripening process improves cell efficiency but also enhances device stability and thus represents a simple, promising strategy for further improving PSC performance with higher reproducibility and reliability.

  11. Lithium Salt of NH2-substituted Graphene Nanoribbon with Twofold Donor-acceptor Framework: Large Nonlinear Optical Property

    Institute of Scientific and Technical Information of China (English)

    ZHOU Zhong-jun; LI Zhi-ru; HUANG Xu-ri; SUN Chia-chung

    2011-01-01

    Based on graphene, a new class of second-order nonlinear optical(NLO) material, the lithium salt of NH2-substituted graphene nanoribbon with the twofold donor(D)/acceptor(A) mode, was reported. Eight stable 2Li-2NH2-GNR lithium salts, especially cis lithium salts, display considerably large ,β0 values. The combination of NH2-substituting and cis Li-doping makes β0 greatly increased from 0(GNR) to 1.2×105-2.9×105 a.u.(cis-2Li2NH2-GNRs). Our largest β0 value(2.9× l05 a.u.) for cis-2Li-1,3-2NH2-AGNR is comparable to the record value of 1.7× l05 a.u. for a long donor-acceptor polyene.

  12. Structural, electronic properties of microscale (NH4)2V3O8 fabricated using a novel preparation method

    Science.gov (United States)

    Zakharova, G. S.; Enyashin, A. N.; Podval'naya, N. V.; Zhuravlev, N. A.; Kuznetsov, M. V.; Gorodetsky, R. S.; Liu, Y.; Zhu, Q.

    2017-02-01

    A new method has been developed for the synthesis of diammonium trivanadate (NH4)2V3O8. Single crystals of (NH4)2V3O8 were synthesized on a large scale by a soft base hydrolysis of NH4VO3 in NH4OH solution in the presence of VOSO4·3H2O. The effects of vanadium(V) concentration, pH value on the product morphology and phase composition were investigated. The formation mechanism of (NH4)2V3O8 was suggested. The samples were characterized using combination of techniques including X-ray diffraction, scanning electron microscopy, X-ray photoelectron spectroscopy, nuclear magnetic spectroscopy, nitrogen adsorption/desorption isotherms, and thermal analysis. Electronic structure, chemical bonding and adsorption properties of the bulk compound and (001) surface were analyzed by means of DFT calculations.

  13. Theoretical and experimental investigations of optical, structural and electronic properties of the lower-dimensional hybrid [NH3-(CH2)10-NH3]ZnCl4

    Science.gov (United States)

    El Mrabet, R.; Kassou, S.; Tahiri, O.; Belaaraj, A.; Guionneau, P.

    2016-10-01

    In the current study, a combination between theoretical and experimental studies has been made for the hybrid perovskite [NH3-(CH2)10-NH3]ZnCl4. The density functional theory (DFT) was performed to investigate structural and electronic properties of the tilted compound. A local approximation (LDA) and semi-local approach (GGA) were employed. The results are obtained using, respectively, the local exchange correlation functional of Perdew-Wang 92 (PW92) and semi local functional of Perdew-Burke-Ernzerhof (PBE). The optimized cell parameters are in good agreement with the experimental results. Electronic properties have been studied through the calculation of band structures and density of state (DOS), while structural properties are investigated by geometry optimization of the cell. Fritz-Haber-Institute (FHI) pseudopotentials were employed to perform all calculations. The optical diffuse reflectance spectra was mesured and applied to deduce the refractive index ( n), the extinction coefficient ( k), the absorption coefficient (α), the real and imaginary dielectric permittivity parts (ɛr,ɛi)) and the optical band gap energy Eg. The optical band gap energy value shows good consistent with that obtained from DFT calculations and reveals the insulating behavior of the material.

  14. Nucleobases and Prebiotic Molecules in Organic Residues Produced from the Ultraviolet Photo-Irradiation of Pyrimidine in NH3 and H2O+NH3 Ices

    Science.gov (United States)

    Nuevo, Michel; Milam, Stefanie N.; Sandford, Scott

    2012-01-01

    Although not yet identified in the interstellar medium (ISM), N-heterocycles including nucleobases the information subunits of DNA and RNA are present in carbonaceous chondrites, which indicates that molecules of biological interest can be formed in non-terrestrial environments via abiotic pathways. Recent laboratory experiments and ab-initio calculations have already shown that the irradiation of pyrimidine in pure H2O ices leads to the formation of a suite of oxidized pyrimidine derivatives, including the nucleobase uracil. In the present work, NH3:pyrimidine and H2O:NH3:pyrimidine ice mixtures with different relative proportions were irradiated with UV photons under astrophysically relevant conditions. Liquid- and gas-chromatography analysis of the resulting organic residues has led to the detection of the nucleobases uracil and cytosine, as well as other species of prebiotic interest such as urea and small amino acids. The presence of these molecules in organic residues formed under abiotic conditions supports scenarios in which extraterrestrial organics that formed in space and were subsequently delivered to telluric planets via comets and meteorites could have contributed to the inventory of molecules that triggered the first biological reactions on their surfaces.

  15. Role of NH2-terminal positively charged residues in establishing membrane protein topology.

    Science.gov (United States)

    Parks, G D; Lamb, R A

    1993-09-05

    The paramyxovirus HN polypeptide is a model type II membrane protein, containing an internal uncleaved signal/anchor (S/A) and is oriented in the membrane with an NH2-terminal cytoplasmic domain and COOH-terminal ectodomain (Ncyt topology). To test the role of NH2-terminal positively charged residues in directing the HN membrane topology, the 3 arginine (Arg) residues within the 17-amino-acid NH2-terminal domain were systematically converted to a glutamine or glutamate, and the topology of the mutant proteins was examined after expression in CV-1 cells. The data indicate that: (i) each of the NH2-terminal Arg residues contributes to the signal directing proper HN topology, since substitutions in any of the three positions resulted in approximately 13-23% inversion into the Nexo form; (ii) substitutions in the Arg directly flanking the signal/anchor domain resulted in slightly more inversion than those which were located more distally; and (iii) substitution with a negatively charged glutamate led to more inversion than did replacement with an uncharged glutamine. The effect of a single Arg to Glu substitution on the HN topology was enhanced when present in the context of a truncated NH2-terminal cytoplasmic tail (3 residues). A comparison of the sequences flanking the signal/anchor of well documented type III proteins showed that the majority of these proteins contain a negatively charged residue flanking the NH2-terminal side. An exception to this rule is the NB protein which contains a single positively charged Arg residue in this position. A chimeric protein containing the NB ectodomain and the HN S/A and HN ectodomain lead to a significant fraction (70%) of the chimeric protein adopting type II topology suggesting that the positive charge flanking the S/A domain is important for establishing type II topology. These data are discussed in the context of the loop model for the biogenesis of integral membrane proteins and the possible signals necessary for

  16. THIN FILM-BASED SENSOR FOR MOTOR VEHICLE EXHAUST GAS, NH3, AND CO DETECTION

    Directory of Open Access Journals (Sweden)

    S. Sujarwata

    2016-10-01

    Full Text Available A copper phthalocyanine (CuPc thin film based gas sensor with FET structure and channel length 100 μm has been prepared by VE method and lithography technique to detect NH3, motor cycle exhaust gases and CO. CuPc material layer was deposited on SiO2 by the vacuum evaporator (VE method at room temperature and pressure of 8 x10-4 Pa. The stages of manufacturing gas sensor were Si/SiO2 substrate blenching with ethanol in an ultrasonic cleaner, source, and drain electrodes deposition on the substrate by using a vacuum evaporator, thin film deposition between the source/drain and gate deposition. The sensor response times to NH3, motorcycle exhaust gases and CO were 75 s, 135 s, and 150, respectively. The recovery times were 90 s, 150 s and 225, respectively. It is concluded that the CuPc thin film-based gas sensor with FET structure is the best sensor to detect the NH3 gas.Sensor gas berbasis film tipis copper phthalocyanine (CuPc berstruktur FET dengan panjang channel 100 μm telah dibuatdengan metode VE dan teknik lithography untuk mendeteksi NH3 gas buang kendaraan bermotor dan CO. Lapisan bahan CuPc dideposisikan pada permukaan silikon dioksida (SiO2 dengan metode vacuum evaporator (VE pada temperatur ruang dengan tekanan 8 x10-4 Pa. Tahapan pembuatan sensor gas adalah pencucian substrat Si/SiO2 dengan etanol dalam ultrasonic cleaner, deposisi elektroda source dan drain di atas substrat dengan metode vacuum evaporator, deposisi film tipis diantara source/drain dan deposisi gate. Waktu tanggap sensor terhadap NH3, gas buang kendaraan bermotor dan CO berturut-turut adalah 75 s, 135 s,dan 150 s. Waktu pemulihan berturut-turut adalah 90 s, 150 s,dan 225 s. Disimpulkan bahwa sensor gas berstruktur FET berbasis film tipis CuPc merupakan sensor paling baik untuk mendeteksi adanya gas NH3.

  17. Enhanced Crystalline Phase Purity of CH3NH3PbI3-xClx Film for High-Efficiency Hysteresis-Free Perovskite Solar Cells.

    Science.gov (United States)

    Yang, Yingguo; Feng, Shanglei; Xu, Weidong; Li, Meng; Li, Li; Zhang, Xingmin; Ji, Gengwu; Zhang, Xiaonan; Wang, Zhaokui; Xiong, Yimin; Cao, Liang; Sun, Baoquan; Gao, Xingyu

    2017-07-12

    Despite rapid successful developments toward promising perovskite solar cells (PSCs) efficiency, they often suffer significant hysteresis effects. Using synchrotron-based grazing incidence X-ray diffraction (GIXRD) with different probing depths by varying the incident angle, we found that the perovskite films consist of dual phases with a parent phase dominant in the interior and a child phase with a smaller (110) interplanar space (d(110)) after rapid thermal annealing (RTA), which is a widely used post treatment to improve the crystallization of solution-processed perovskite films for high-performance planar PSCs. In particular, the child phase composition gradually increases with decreasing depth till it becomes the majority on the surface, which might be one of the key factors related to hysteresis in fabricated PSCs. We further improve the crystalline phase purity of the solution-processed CH3NH3PbI3-xClx perovskite film (referred as g-perovskite) by using a facile gradient thermal annealing (GTA), which shows a uniformly distributed phase structure in pinhole-free morphology with less undercoordinated Pb and I ions determined by synchrotron-based GIXRD, grazing incidence small-angle X-ray scattering, scanning electron microscopy, and X-ray photoelectron spectroscopy. Regardless of device structures (conventional and inverted types), the planar heterojunction PSCs employing CH3NH3PbI3-xClx g-perovskite films exhibit negligible hysteresis with a champion power conversion efficiency of 17.04% for TiO2-based conventional planar PSCs and 14.83% for poly(3,4-ethylenedioxythiophene:poly(styrenesulfonate) (PEDOT:PSS)-based inverted planar PSCs. Our results indicate that the crystalline phase purity in CH3NH3PbI3-xClx perovskite film, especially in the surface region, plays a crucial role in determining the hysteresis effect and device performance.

  18. Comparison of the Performances of NH3-H20 and Libr-H2O Vapour Absorption Refrigeration Cycles

    Directory of Open Access Journals (Sweden)

    Prof. Nilesh B. Totla

    2016-04-01

    Full Text Available Developments in absorption cooling technology present an opportunity to achieve significant improvements on micro-scale to buildings, cooling, heating and power systems for residential and light commercial buildings. Their resultant effects are effective, energy efficient and economical. This study therefore contributes an important knowledge and method in the development, fabrication and application of an absorption refrigerator as a better alternative to the commonly used compressor refrigerators. Two fluid gas absorption refrigerators use electric based heater installed generator and no moving parts, such as pumps and compressors, and operate at a single system pressure. In this paper the performances analysis of the NH3-H2O and possible alternative cycles as lithium bromide-water are compared in respect of the (COP and different operating conditioning. The highest COP was found as a function of the absorber, generator, condenser, and evaporating temperature. This paper compares the performance of vapour absorption refrigeration cycles that are used for refrigeration temperatures below 0°C. Since the most common vapour absorption refrigeration systems use ammonia-water solution with ammonia as the refrigerant and water as the absorbent, research has been devoted to improvement of the performance of ammonia-water absorption refrigeration systems in recent years.

  19. Organic-inorganic halide perovskite solar cell with CH3NH3PbI2Br as hole conductor

    Science.gov (United States)

    Zhang, Shufang; Zhang, Chenming; Bi, Enbing; Miao, Xiaoliang; Zeng, Haibo; Han, Liyuan

    2017-01-01

    Perovskite solar cells (PSCs) have attracted enormous interest as the most remarkably growing photovoltaic devices. With the power conversion efficiencies of PSCs excessing 20%, great challenges have been focused on the issues of cost and long-term stability which are majorly related to the hole transport materials. In contrast, the PSCs without special hole conductors show great potential for commercial applications due to their cost-effective and fairly stable features. However, the inferior charge separation at the CH3NH3PbI3 (MAPbI3) and back electrode interface limits the cells for high efficiency. Our strategy is to arrange suitable energy band alignment at the interface to enhance the charge separation. We herein report a MAPbI3/MAPbI2Br cascade structured PSC with MAPbI2Br majorly acting as a hole conductor. The conversion efficiency of the PSCs is greatly improved and a high efficiency of 15.83% is achieved. This new design of using organic-inorganic halide perovskites as hole conductors provides an efficient approach for improving the performance of low-cost PSCs.

  20. Towards improving the manure management chain

    NARCIS (Netherlands)

    Hou, Yong

    2016-01-01

    Animal manures are major sources of nutrients and organic matter, to be used to fertilize crops and improve soil quality. However, when not properly managed, these manures release considerable amounts of ammonia (NH3), nitrous oxide (N2O) and methane (CH4) into the air, and nitrogen (N) and phosphor

  1. Computational Search for Improved Ammonia Storage Materials

    DEFF Research Database (Denmark)

    Jensen, Peter Bjerre; Lysgaard, Steen; Vegge, Tejs

    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....... In this project we are searching for improved mixed materials with optimal desorption temperatures and kinetics, optimally releasing all ammonia in one step. We apply Density Functional Theory, DFT, calculations on mixed compounds selected by a Genetic Algorithm (GA), relying on biological principles of natural...

  2. Accumulation and spatial distribution of Cd, Cr, and Pb in mulberry from municipal solid waste compost following application of EDTA and (NH4)2SO4.

    Science.gov (United States)

    Zhao, Shulan; Shang, Xiaojuan; Duo, Lian

    2013-02-01

    Municipal solid waste compost can be used to cropland as soil amendment to supply nutrients and improve soil physical properties. But long-term application of municipal solid waste (MSW) compost may result in accumulation of toxic metals in amended soil. Phytoremediation, especially phytoextraction, is a novel, cost-effective, and environmentally friendly approach that uses metal-accumulating plants to concentrate and remove metals from contaminated soils. Ethylenediaminetetraacetate (EDTA) was applied to metal-contaminated soil to increase the mobility and phytoavailability of metals in soil, thereby increasing the amount of toxic metals accumulated in the upper parts of phytoextracting plants. The objectives of this study were (1) to investigate the accumulation and spatial distribution of toxic metals (Cd, Cr, and Pb) in mulberry from MSW compost with the application of EDTA and (NH(4))(2)SO(4), (2) to examine the effectiveness of EDTA and (NH(4))(2)SO(4) applied together on toxic metals (Cd, Cr, and Pb) removal by mulberry under field conditions, and (3) to evaluate the potential of mulberry for phytoextraction of toxic metals from MSW compost. The tested plant-mulberry had been grown in MSW compost field for 4 years. EDTA solution at five rates (0, 50, 100, 50 mmol L(-1) + 1 g L(-1) (NH(4))(2)SO(4), and 100 mmol L(-1) + 1 g L(-1) (NH(4))(2)SO(4)) was added into mulberry root medium in September 2009. Twenty days later, the plants were harvested and separated into six parts according to plant height. Cd, Cr, and Pb contents in plant samples and MSW compost were analyzed using an atomic absorption spectrophotometer. In the same treatment, Cd, Cr, and Pb concentrations in mulberry shoot were all higher than those in root, and Cd and Pb concentrations in shoot increased from lower to upper parts, reaching the highest in leaves. Significant increases were found in toxic metal concentration in different parts of mulberry with increasing EDTA concentration

  3. Rovibrationally-resolved photodissociation of NH and application to the solar UV opacity

    Science.gov (United States)

    Shen, G.; Kuri, A.; Fontenla, J. M.; Stancil, P. C.; Wang, J. G.

    2014-05-01

    Rovibrationally-resolved photodissociation cross sections of NH have been evaluated using a combination of ab initio and experimentally derived potential curves and dipole transition moments. Here we present results for the three electronic transitions: 23Σ- interstellar gas, cross sections for X3Σ- (v = 0 , J = 0) to 23Σ- and 23 Π dominate, but for the high density and temperature conditions in stellar atmospheres, the LTE cross section to the A3 Π becomes competitive. Explicit application of the cross sections to the solar UV opacity will be presented. In particular, the NH photodissociation opacity is found to affect the non-LTE behavior of some species such as Cr I and V I. The work at UGA was partially supported by NASA grant HST-AR-11776.01-A. The work of JMF was supported by NASA LWS grant NNX09AJ22G. GS acknowledges travel support by the International Cooperation and Exchange Foundation of CAEP.

  4. Cold collisions of N atoms and NH molecules in magnetic fields

    CERN Document Server

    Zuchowski, Piotr S \\

    2010-01-01

    We calculate the interaction potential between N atoms and NH molecules and use it to investigate cold and ultracold collisions important for sympathetic cooling. The ratio of elastic to inelastic cross sections is large over a wide range of collision energy and magnetic field for most isotopic combinations, so that sympathetic cooling of NH molecules by N atoms is a good prospect. However, there are important effects due to a p-wave shape resonance that may inhibit cooling in some cases. We show that scaling the reduced mass used in the collision is approximately equivalent to scaling the interaction potential. We then explore the dependence of the scattering properties on the reduced mass and explain the resonant effects observed using angular-momentum-insensitive quantum defect theory

  5. Ocean bacteria: performance on CODCr and NH4(+)-N removal in landfill leachate treatment.

    Science.gov (United States)

    Feng, Yali; Yi, Aifei; Li, Haoran; Wang, Weida; Du, Yunlong

    2015-01-01

    An experiment was carried out to investigate the performance of mixed ocean bacteria, isolated from the ocean sediment, on landfill leachate treatment. In this treatment, ocean bacteria were the only constituent added to remove organics and NH(4)(+)-N. Given their considerable influence on wastewater purification, factors such as inoculum, initial pH, processing time and oxygen condition, were directly involved in this research. As indicated by laboratory test results, chemical oxygen demand (CODCr) and NH(4)(+)-N removal could reach 94.45% and 67.87%, respectively, after 3 days of treatment, in conditions of natural pH 6.3 and with the application of oxygen. The volt-ampere characteristics of the bacteria solution verified the redox-active ability of the bacteria in landfill leachate treatment.

  6. Effective NH2-grafting on attapulgite surfaces for adsorption of reactive dyes.

    Science.gov (United States)

    Xue, Ailian; Zhou, Shouyong; Zhao, Yijiang; Lu, Xiaoping; Han, Pingfang

    2011-10-30

    The amine moiety has an important function in many applications, including, adsorption, catalysis, electrochemistry, chromatography, and nanocomposite materials. We developed an effective adsorbent for aqueous reactive dye removal by modifying attapulgite with an amino-terminated organosilicon (3-aminopropyltriethoxysilane, APTES). Surface properties of the APTES-modified attapulgite were characterized by the Fourier transform infrared spectroscopy (FTIR), X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), and nitrogen adsorption-desorption. We evaluated the impact of solvent, APTES concentration, water volume, reaction time, and temperature on the surface modification. NH(2)-attapulgite was used to remove reactive dyes in aqueous solution and showed very high adsorption rates of 99.32%, 99.67%, and 96.42% for Reactive Red 3BS, Reactive Blue KE-R and Reactive Black GR, respectively. These powerful dye removal effects were attributed to strong electrostatic interactions between reactive dyes and the grafted NH(2) groups.

  7. Porous Anatase TiO2 Thin Films for NH3 Vapour Sensing

    Science.gov (United States)

    Ponnusamy, Dhivya; Madanagurusamy, Sridharan

    2015-12-01

    Anatase titanium dioxide (TiO2) thin films were deposited onto cleaned glass substrates by a direct current (DC) reactive magnetron sputtering technique for different deposition times from 10 min to 40 min, which resulted in films of different thicknesses. Characterization techniques, such as x-ray diffraction (XRD) and field emission-scanning electron microscopy (FE-SEM) were used to characterize the structural and morphological properties of the TiO2 thin films. XRD patterns showed the formation of (101) crystal anatase facets. The grain size values of the film increased with increased deposition time, and the films deposited at 40 min exhibited a porous structure. Anatase TiO2 thin films exhibited excellent sensing response, fast response and recovery time, as well as good stability and selectivity towards ammonia (NH3). The enhanced NH3 sensing behavior of anatase TiO2 films is attributed to the porous morphology and oxygen vacancies.

  8. (Cy2NH22SO4.2SnMe3SO4Cy2NH2; 2(Cy2NH22SO4.5SnMe3SO4Cy2NH2: SYNTHESIS AND INFRARED STUDY

    Directory of Open Access Journals (Sweden)

    DAOUDA NDOYE

    2014-03-01

    Full Text Available Allowing (Cy2NH22.SO4.2H2O or Cy2NH2.HSO4 to react with SnMe3Cl in ethanolic media in two specific ratios the sulphato complexes (mentioned in this paper title were obtained and their infrared study was carried out. Discrete structures containing the complex-anion [SO4(SO4SnMe32]4- consisting of a central bidentate sulphate linked to SnMe3 groups which are then coordinated to monodentate sulphate anions or the complex-anion [(SO46(SnMe35]7- consisting of planar SnMe3 groups, monodentate or bidentate sulphate anions, these complex-anions dimerizing through cations via hydrogen bonds, are suggested.

  9. Room temperature three-photon pumped CH3NH3PbBr3 perovskite microlasers

    Science.gov (United States)

    Gao, Yisheng; Wang, Shuai; Huang, Can; Yi, Ningbo; Wang, Kaiyang; Xiao, Shumin; Song, Qinghai

    2017-03-01

    Hybrid lead halide perovskites have made great strides in next-generation light-harvesting and light emitting devices. Recently, they have also shown great potentials in nonlinear optical materials. Two-photon absorption and two-photon light emission have been thoroughly studied in past two years. However, the three-photon processes are rarely explored, especially for the laser emissions. Here we synthesized high quality CH3NH3PbBr3 perovskite microstructures with solution processed precipitation method and studied their optical properties. When the microstructures are pumped with intense 1240 nm lasers, we have observed clear optical limit effect and the band-to-band photoluminescence at 540 nm. By increasing the pumping density, whispering-gallery-mode based microlasers have been achieved from CH3NH3PbBr3 perovskite microplate and microrod for the first time. This work demonstrates the potentials of hybrid lead halide perovskites in nonlinear photonic devices.

  10. IONIC CONDUCTIVITY AND ELECTRICAL PROPERTIES OF CARBOXYMETHYL CELLULOSE - NH4Cl SOLID POLYMER ELECTROLYTES

    Directory of Open Access Journals (Sweden)

    N. H. AHMAD

    2016-06-01

    Full Text Available In this present work, carboxymethyl cellulose (CMC – ammonium chloride (NH4Cl solid polymer electrolyte (SPE films were prepared by solution casting method. The ionic conductivity and electrical properties of SPE films were investigated using Electrical Impedance Spectroscopy. SPE film containing 16 wt. % NH4Cl exhibited the highest ionic conductivity of 1.43 x 10-3 S/cm at ambient temperature, 303K. The temperature dependence SPE films showed an Arrhenius-type relation where the regression values obtained from the log conductivity versus reciprocal temperature is close to unity (R2≈1. The electrical properties have been measured as a function of frequency of Ԑr,Ԑi, Mr, Mi shown a non-Debye type behavior

  11. NO ICE HYDROGENATION: A SOLID PATHWAY TO NH{sub 2}OH FORMATION IN SPACE

    Energy Technology Data Exchange (ETDEWEB)

    Congiu, Emanuele; Dulieu, Francois; Chaabouni, Henda; Baouche, Saoud; Lemaire, Jean Louis [LERMA-LAMAp, Universite de Cergy-Pontoise, Observatoire de Paris, ENS, UPMC, UMR 8112 du CNRS, 5 Mail Gay Lussac, 95000 Cergy Pontoise Cedex (France); Fedoseev, Gleb; Ioppolo, Sergio; Lamberts, Thanja; Linnartz, Harold [Raymond and Beverly Sackler Laboratory for Astrophysics, Leiden Observatory, University of Leiden, P.O. Box 9513, 2300 RA Leiden (Netherlands); Laffon, Carine; Parent, Philippe [Laboratoire de Chimie-Physique, Matiere et Rayonnement, Universite Pierre-et-Marie Curie (Paris 06) and CNRS (UMR 7614), 11 rue Pierre-et-Marie-Curie, 75231 Paris (France); Cuppen, Herma M., E-mail: emanuele.congiu@u-cergy.fr [Faculty of Science, Radboud University Nijmegen, IMM, P.O. Box 9010, NL 6500 GL Nijmegen (Netherlands)

    2012-05-01

    Icy dust grains in space act as catalytic surfaces onto which complex molecules form. These molecules are synthesized through exothermic reactions from precursor radicals and, mostly, hydrogen atom additions. Among the resulting products are species of biological relevance, such as hydroxylamine-NH{sub 2}OH-a precursor molecule in the formation of amino acids. In this Letter, laboratory experiments are described that demonstrate NH{sub 2}OH formation in interstellar ice analogs for astronomically relevant temperatures via successive hydrogenation reactions of solid nitric oxide (NO). Inclusion of the experimental results in an astrochemical gas-grain model proves the importance of a solid-state NO+H reaction channel as a starting point for prebiotic species in dark interstellar clouds and adds a new perspective to the way molecules of biological importance may form in space.

  12. Electronic properties of NH4-adsorbed graphene nanoribbon as a promising candidate for a gas sensor

    Directory of Open Access Journals (Sweden)

    Naoki Harada

    2016-05-01

    Full Text Available The electronic properties of NH4-adsorbed N = 7 armchair graphene nanoribbons (AGNRs were theoretically investigated using self-consistent atomistic simulations to explore the feasibility of AGNRs as a gas sensing material. Whereas a pristine AGNR has a finite band gap and is an intrinsic semiconductor, an NH4-adsorbed AGNR exhibits heavily doped n-type properties similar to a graphene sheet with the molecules adsorbed. The electric characteristics of a back-gated AGNR gas sensor were also simulated and the drain current changed exponentially with increasing number of adsorbed molecules. We may conclude that an AGNR is promising as a highly sensitive gas-sensing material with large outputs.

  13. Pressure-induced structural changes in NH{sub 4}Br

    Energy Technology Data Exchange (ETDEWEB)

    Huang, Yanping; Huang, Xiaoli; Li, Wenbo; Wang, Lu; Wu, Gang; Zhao, Zhonglong; Duan, Defang; Bao, Kuo; Zhou, Qiang; Liu, Bingbing; Cui, Tian, E-mail: cuitian@jlu.edu.cn [State Key Laboratory of Superhard Materials, College of Physics, Jilin University, Changchun 130012 (China)

    2015-08-14

    We report angle dispersive X-ray diffraction (XRD) measurements and Raman spectroscopy on NH{sub 4}Br up to 70.0 GPa at room temperature. Three thermodynamically stable phases (phases II, IV, and V) are confirmed and a new possible phase (phase VI) of P2{sub 1}/m symmetry is proposed whose structure was established from Rietveld refinement of synchrotron XRD data for the first time. The phase sequence observed in NH{sub 4}Br is in accordance with phase II → IV → V → VI. Phase V transforms into phase VI at about 57.8 GPa with a huge volume reduction of 30%. Still, the intramolecular distances are analyzed to better understand the nature of structures. The H–H interactions become markedly more important as the N–Br distances are compacted, which is probably the reason of the kink of symmetric stretching band (ν{sub 1}) at the transition pressure.

  14. NH4 + directed assembly of zinc oxide micro-tubes from nanoflakes

    Directory of Open Access Journals (Sweden)

    Yang Weiyi

    2011-01-01

    Full Text Available Abstract A simple precipitation process followed with the heat treatment was developed to synthesize ZnO micro-tubes by self-assembly of nanoflakes composed of nanoparticles. The resulting ZnO micro-tubes demonstrated excellent photocatalytic performance in degrading methylene blue (MB under UV illumination. It was found that NH4 + ion played a critical role in directing the assembly of the nanoflakes to form the micro-tube structure. A critical reaction ratio existed at or above which the ZnO micro-tubes could be obtained. For the mixtures of solutions of (NH42CO3 and zinc salt, the ratio ( was 2:1.

  15. The human receptor for urokinase plasminogen activator. NH2-terminal amino acid sequence and glycosylation variants

    DEFF Research Database (Denmark)

    Behrendt, N; Rønne, E; Ploug, M;

    1990-01-01

    -PA. The purified protein shows a single 55-60 kDa band after sodium dodecyl sulfate-polyacrylamide gel electrophoresis and silver staining. It is a heavily glycosylated protein, the deglycosylated polypeptide chain comprising only 35 kDa. The glycosylated protein contains N-acetyl-D-glucosamine and sialic acid......, but no N-acetyl-D-galactosamine. Glycosylation is responsible for substantial heterogeneity in the receptor on phorbol ester-stimulated U937 cells, and also for molecular weight variations among various cell lines. The amino acid composition and the NH2-terminal amino acid sequence are reported....... The protein has a high content of cysteine residues. The NH2-terminal sequence is not closely related to any known sequence. The identification of the purified and sequenced protein with the human u-PA receptor is based on the following findings: 1) the ability of the purified protein to bind u-PA and its...

  16. Solvolysis of benzoyl halides in water/NH4DEHP/isooctane microemulsions.

    Science.gov (United States)

    García-Río, L; Hervella, P; Rodríguez-Dafonte, P

    2006-08-29

    A study was carried out on the solvolysis reactions of different benzoyl halides in microemulsions of water/NH4DEHP/isooctane, where NH4DEHP is ammonium bis(2-ethylhexyl) phosphate. Because of the low solubility of benzoyl halides in water, they are distributed between the continuous medium and the interface of the microemulsion, where the reaction takes place. The application of the pseudophase model has allowed us to obtain the distribution constants and the rate constants at the interface for the benzoyl halides. Reaction mechanisms and the changes in these mechanisms in terms of the water content of the microemulsion have been determined on the basis of kinetic data. The influence of the substituent and the leaving group on the reaction rate has been investigated. A comparison of kinetic results with those previously obtained in water/AOT/isooctane microemulsions allows a kinetic evaluation of the change in the microemulsion properties with the surfactant.

  17. High-resolution absorption measurements of NH3 at high temperatures: 2100-5500 cm-1

    Science.gov (United States)

    Barton, Emma J.; Yurchenko, Sergei N.; Tennyson, Jonathan; Clausen, Sønnik; Fateev, Alexander

    2017-03-01

    High-resolution absorption spectra of NH3 in the region 2100-5500 cm-1 at 1027 °C and approximately atmospheric pressure (1045±3 mbar) are measured. An NH3 concentration of 10% in volume fraction is used in the measurements. Spectra are recorded in a high-temperature gas-flow cell using a Fourier Transform Infrared (FTIR) spectrometer at a nominal resolution of 0.09 cm-1. The spectra are analysed by comparison to a variational line list, BYTe, and experimental energy levels determined using the MARVEL procedure. 2308 lines have been assigned to 45 different bands, of which 1755 and 15 have been assigned or observed for the first time in this work.

  18. Rate Constant and Branching Fraction for the NH2 + NO2 Reaction

    DEFF Research Database (Denmark)

    Klippenstein, Stephen J.; Harding, Lawrence B.; Glarborg, Peter

    2013-01-01

    The NH2 + NO2 reaction has been studied experimentally and theoretically. On the basis of laser photolysis/LIF experiments, the total rate constant was determined over the temperature range 295–625 K as k1,exp(T) = 9.5 × 10–7(T/K)−2.05 exp(−404 K/T) cm3 molecule–1 s–1. This value is in the upper...... may facilitate a small flux between the adducts. High- and low-pressure limit rate coefficients for the various product channels of NH2 + NO2 are determined from the ab initio TST-based master equation calculations for the temperature range 300–2000 K. The theoretical predictions are in good agreement...

  19. Room temperature three-photon pumped CH3NH3PbBr3 perovskite microlasers

    Science.gov (United States)

    Gao, Yisheng; Wang, Shuai; Huang, Can; Yi, Ningbo; Wang, Kaiyang; Xiao, Shumin; Song, Qinghai

    2017-01-01

    Hybrid lead halide perovskites have made great strides in next-generation light-harvesting and light emitting devices. Recently, they have also shown great potentials in nonlinear optical materials. Two-photon absorption and two-photon light emission have been thoroughly studied in past two years. However, the three-photon processes are rarely explored, especially for the laser emissions. Here we synthesized high quality CH3NH3PbBr3 perovskite microstructures with solution processed precipitation method and studied their optical properties. When the microstructures are pumped with intense 1240 nm lasers, we have observed clear optical limit effect and the band-to-band photoluminescence at 540 nm. By increasing the pumping density, whispering-gallery-mode based microlasers have been achieved from CH3NH3PbBr3 perovskite microplate and microrod for the first time. This work demonstrates the potentials of hybrid lead halide perovskites in nonlinear photonic devices.

  20. Electroless Ni-Co-P Coating of Cenospheres Using Ag(NH3)2+ Activator

    Institute of Scientific and Technical Information of China (English)

    ZENG Ai-xiang; XIONG Wei-hao

    2004-01-01

    Electroless Ni-Co-P-coating of fly-ash cenosphere particles is demonstrated in the present investigation. The Electroless Ni-Co-P-coating process is modified by replacing the conventional sensitization and activation steps with only using activation step with Ag(NH3)2+ activator. The cenospheres are characterized by scanning electron microscope (SEM),energy dispersive spectroscopy (EDX), X-ray diffraction analysis (XRD) and X-ray photoelectron spectroscopy (XPS)during and after the coating process. Relatively uniform coating is obtained under the given coating conditions. The possible mechanism of electroless Ni-Co-P-coating of cenospheres utilizing Ag(NH3)2+ activator is suggested. The low density Ni-Co-P coated cenospheres may be utilized for manufacturing conducting polymers for EMI-shielding application and microwave absorbing materials.

  1. Electrical and optical properties of Ar/NH3 atmospheric pressure plasma jet

    Science.gov (United States)

    Chang, Zheng-Shi; Yao, Cong-Wei; Chen, Si-Le; Zhang, Guan-Jun

    2016-09-01

    Inspired by the Penning effect, we obtain a glow-like plasma jet by mixing ammonia (NH3) into argon (Ar) gas under atmospheric pressure. The basic electrical and optical properties of an atmospheric pressure plasma jet (APPJ) are investigated. It can be seen that the discharge mode transforms from filamentary to glow-like when a little ammonia is added into the pure argon. The electrical and optical analyses contribute to the explanation of this phenomenon. The discharge mode, power, and current density are analyzed to understand the electrical behavior of the APPJ. Meanwhile, the discharge images, APPJ's length, and the components of plasma are also obtained to express its optical characteristics. Finally, we diagnose several parameters, such as gas temperature, electron temperature, and density, as well as the density number of metastable argon atoms of Ar/NH3 APPJ to help judge the usability in its applications.

  2. Crystal structure of [Co(NH36][Co(CO4]2

    Directory of Open Access Journals (Sweden)

    Thomas G. Müller

    2015-11-01

    Full Text Available Hexaamminecobalt(II bis[tetracarbonylcobaltate(-I], [Co(NH36][Co(CO4]2, was synthesized by reaction of liquid ammonia with Co2(CO8. The CoII atom is coordinated by six ammine ligands. The resulting polyhedron, the hexaamminecobalt(II cation, exhibits point group symmetry -3. The Co-I atom is coordinated by four carbonyl ligands, leading to a tetracarbonylcobaltate(−I anion in the shape of a slightly distorted tetrahedron, with point group symmetry 3. The crystal structure is related to that of high-pressure BaC2 (space group R-3m, with the [Co(NH36]2+ cations replacing the Ba sites and the [Co(CO4]− anions replacing the C sites. N—H...O hydrogen bonds between cations and anions stabilize the structural set-up in the title compound.

  3. NH3 (10-00) in the pre-stellar core L1544

    DEFF Research Database (Denmark)

    Caselli, P.; Bizzocchi, L.; Keto, E.

    2017-01-01

    Pre-stellar cores represent the initial conditions in the process of star and planet formation, therefore it is important to study their physical and chemical structure. Because of their volatility, nitrogen-bearing molecules are key to study the dense and cold gas present in pre-stellar cores....... The NH3 rotational transition detected with Herschel-HIFI provides a unique combination of sensitivity and spectral resolution to further investigate physical and chemical processes in pre-stellar cores. Here we present the velocity-resolved Herschel-HIFI observations of the ortho-NH3(10-00) line at 572...... GHz and study the abundance profile of ammonia across the pre-stellar core L1544 to test current theories of its physical and chemical structure. Recently calculated collisional coefficients have been included in our non-LTE radiative transfer code to reproduce Herschel observations. A gas...

  4. Synthesis and electrical transport of single-crystal NH4V3O8 nanobelts.

    Science.gov (United States)

    Mai, L Q; Lao, C S; Hu, B; Zhou, J; Qi, Y Y; Chen, W; Gu, E D; Wang, Z L

    2006-09-21

    Monoclinic NH(4)V(3)O(8) single-crystalline nanobelts with widths of 80-180 nm, thicknesses of 50-100 nm, and lengths up to tens of micrometers have been synthesized at large scale in an ammonium metavanadate solution by a templates/catalysts-free route. Such nanobelts grow along the direction of [010]. The individual NH(4)V(3)O(8) nanobelt exhibits nonlinear, symmetric current/voltage (I/V) characteristics, with a conductivity of 0.1-1 S/cm at room temperature and a dielectric constant of approximately 130. The dominant conduction mechanism is based on small polaron hopping due to ohmic mechanism at low electric field below 249 V/cm due to Schottky emission at medium electric field between 249 and 600 V/cm and due to the Poole-Frenkel emission mechanism at high field above 600 V/cm.

  5. A new interaction mechanism of LiNH2 with MgH2: magnesium bond.

    Science.gov (United States)

    Yang, Xin; Li, Qingzhong; Cheng, Jianbo; Li, Wenzuo

    2013-01-01

    Quantum chemical calculations were performed for LiNH2-HMgX (X=H, F, Cl, Br, CH3, OH, and NH2) complexes to propose a new interaction mechanism between them. This theoretical survey showed that the complexes are stabilized through the combinative interaction of magnesium and lithium bonds. The binding energies are in the range of 63.2-66.5 kcal mol(-1), i.e., much larger than that of the lithium bond. Upon complexation, both Mg-H and Li-N bonds are lengthened. Substituents increase Mg-H bond elongation and at the same time decrease Li-N bond elongation. These cyclic complexes were characterized with the presence of a ring critical point and natural population analysis charges.

  6. Observation of orbiting resonances in He(3S1) + NH3 Penning ionization

    OpenAIRE

    Jankunas, Justin; Jachymski, Krzysztof; Hapka, Michal; Osterwalder, Andreas

    2014-01-01

    Resonances are among the clearest quantum mechanical signatures of scattering processes. Previously, shape resonances and Feshbach resonances have been observed in inelastic and reactive collisions involving atoms or diatomic molecules. Structure in the integral cross section has been observed in a handful of elastic collisions involving polyatomic molecules. The present paper presents the observation of shape resonances in the reactive scattering of a polyatomic molecule, NH3. A merged-beam ...

  7. On the NH3 absorption depression observable at Northern low latitudes of Jupiter

    Science.gov (United States)

    Tejfel, Victor G.; Vdovichenko, Vladimir D.; Lysenko, Peter G.; Karimov, Alibek M.; Kirienko, Galina A.; Bondarenko, Natalya N.; Kharitonova, Galina

    2016-10-01

    From February to April of 2016, we carried out a special series of spectrophotometric observations of Jupiter to study the current behavior of the ammonia absorption at the low latitudes of the Northern hemisphere, where in 2004 we have found a well-defined depression of the 787 nm NH3 absorption band intensity (V.Tejfel et al., Bull.AAS, 2005, Vol. 37, p.682). In subsequent years, an existence of this depression was annually confirmed by spectral observations, although we were noticing its variable character. During observations of 2016 we obtained more than 2,500 CCD-spectrograms, including the spectra of the central meridian, the GRS, and 12 scans of Jovian disk on different dates (70 zonal spectra in each scan). The 787 nm NH3 absorption band was extracted with using of ratios of the Jovian spectra to the Saturn's disk spectrum that was taken as a reference. The depression of absorption in this band begins almost from the equator, and its maximum occurs at the planetographic latitude of 100N then the absorption increases again approaching to the latitude of 200N. The equivalent bandwidths corresponding to these latitudes are equal to 18.7 ± 1.4 A, 14.4 ± 1.0 A and 17.8 ± 0.8A. The 645 nm NH3 absorption band also shows depletion at the low latitudes of the Northern hemisphere, but it is less pronounced. At the temperate latitudes of the Northern hemisphere this band's absorption is systematically lower than the Southern Hemisphere's ones. We will continue research in this direction, especially because recently a significant depletion of gaseous NH3 has also been found with using of the VLA with high resolution (I. de Pater et al., Science, 2016, Vol. 352, Issue 6290, p.1290-1294) at the low latitudes of the Northern hemisphere in the region of the NEB.

  8. CRYSTAL STRUCTURE OF (Cy2NH22MoO4.2H2O

    Directory of Open Access Journals (Sweden)

    Serigne Fallou Pouye

    2014-05-01

    Full Text Available The structure of this salt consists of a 3D structure. The anion interacts with NH2 group of the cation and H2O molecules respectively through N-H---O and O-H---O hydrogen bonds. The anion MoO42- is almost perfectly tetrahedral. The four values of the lengths of Mo- O bonds are all equal to 1.7613 Å (12.

  9. Thermodynamic properties of ferroelectric NH3CH2COOH·H2PO3 crystal

    Science.gov (United States)

    Zachek, I. R.; Shchur, Ya.; Levitskii, R. R.; Vdovych, A. S.

    2017-09-01

    Using a modified microscopic model of NH3CH2COOH·H2PO3 by taking into account piezoelectric coupling with strains εi, ε4, ε5 and ε6 in two-particle cluster approximation, the temperature dependence of polarization and tensor of static dielectric permittivity of mechanically clamped and free crystal, their piezoelectric characteristics, elastic constants and heat capacity are calculated.

  10. Photovoltaic performance and the energy landscape of CH3NH3PbI3.

    Science.gov (United States)

    Zhou, Yecheng; Huang, Fuzhi; Cheng, Yi-Bing; Gray-Weale, Angus

    2015-09-21

    Photovoltaic cells with absorbing layers of certain perovskites have power conversion efficiencies up to 20%. Among these materials, CH3NH3PbI3 is widely used. Here we use density-functional theory to calculate the energies and rotational energy barriers of a methylammonium ion in the α or β phase of CH3NH3PbI3 with differently oriented neighbouring methylammonium ions. Our results suggest the methylammonium ions in CH3NH3PbI3 prefer to rotate collectively, and to be parallel to their neighbours. Changes in polarization on rotation of methylammonium ions are two to three times larger than those on relaxation of the lead ion from the centre of its coordination shell. The preferences for parallel configuration and concerted rotation, with the polarisation changes, are consistent with ferroelectricity in the material, and indicate that this polarisation is governed by methylammonium orientational correlations. We show that the field due to this polarisation is strong enough to screen the field hindering charge transport, and find this screening field in agreement with experiment. We examine two possible mechanisms for the effect of methylammonium ion rotation on photovoltaic performance. One is that rearrangement of methylammoniums promotes the creation and transport of charge carriers. Some effective masses change greatly, but changes in band structure with methylammonium rotation are not large enough to explain current-voltage hysteresis behaviour. The second possible mechanism is that polarization screens the hindering electric field, which arises from charge accumulation in the transport layers. Polarization changes on methylammonium rotation favour this second mechanism, suggesting that collective reorientation of methylammonium ions in the bulk crystal are in significant part responsible for the hysteresis and power conversion characteristics of CH3NH3PbI3 photovoltaic cells.

  11. Electron scattering cross sections with HF, OH, NH and CH molecules

    Energy Technology Data Exchange (ETDEWEB)

    Joshipura, K.N. [Sardar Patel Univ., Vallabh Vidyanagar (India). Dept. of Physics; Vinodkumar, M. [Sardar Patel Univ., Vallabh Vidyanagar (India). Dept. of Physics

    1997-01-20

    Total cross sections including elastic scattering, electronic excitation-ionisation and the dipole rotational excitation are calculated for electron impact on HF, OH, NH, and CH molecules. The additivity rules as well as single-centre expansion are employed for this purpose. A comparison was possible for the e-HF system only. Our results are expected to be good at intermediate to high energies (>50 eV). (orig.).

  12. Effect of dispersed SiO2 on the phase behaviour of NH4HSO4

    Directory of Open Access Journals (Sweden)

    Vargas, R. A.

    2002-02-01

    Full Text Available Phase equilibria and electrical conductivity of (1-xNH4HSO4-xSiO2 composites were studied by thermal and impedance measurements. Silica with particle size of 14 nm was used. The phase transitions of NH4HSO4 (AHS at 154 K and 420 K (melting point were not affected by the silica doping. No large changes in the low-temperature (T Estudiamos el equilibrio de fases y la conductividad eléctrica de las compositas (1-xNH4HSO4-xSiO2 por medidas térmicas y de impedancia. Se utilizaron partículas de silica de diámetro 14 nm. Las transiciones de fase del NH4HSO4 (AHS en 154 K y 420 K (punto de fusión no fueron afectadas con el dopaje de silica. No se observaron grandes cambios a bajas temperaturas (T < 420 K en la conductividad dc y la relajación eléctrica de las compositas al ser dopadas con silica. La parte imaginaria de la conductividad corregida (después de haber substraído la contribución de la conductividad dc, ε″(ω,T, como función de la frecuencia (f = ω/ 2π y la temperatura muestra un pico de dispersión alrededor de 1 MHz para pequeñas concentraciones de silica, cuya posición (fmax esta también térmicamente activada. Los resultados dieléctricos se discuten en términos del efecto de la polarización de las celdas sobre el movimiento de los protones.

  13. Theoretical Studies on F(-) + NH2Cl Reaction: Nucleophilic Substitution at Neutral Nitrogen.

    Science.gov (United States)

    Liu, Xu; Zhang, Jiaxu; Yang, Li; Sun, Rui

    2016-05-26

    The SN2 reactions at N center, denoted as SN2@N, has been recognized to play a significant role in carcinogenesis, although they are less studied and less understood. The potential energy profile for the model reaction of SN2@N, chloramine (NH2Cl) with fluorine anion (F(-)), has been characterized by extensive electronic structure calculations. The back-side SN2 channel dominates the reaction with the front-side SN2 channel becoming feasible at higher energies. The minimum energy pathway shows a resemblance to the well-known double-well potential model for SN2 reactions at carbon. However, the complexes involving nitrogen on both sides of the reaction barrier are characterized by NH---X (X = F or Cl) hydrogen bond and possess C1 symmetry, in contrast to the more symmetric ion-dipole carbon analogues. In the F(-) + NH2Cl system, the proton transfer pathway is found to become more competitive with the SN2 pathway than in the F(-) + CH3Cl system. The calculations reported here indicate that stationary point properties on the F(-) + NH2Cl potential energy surface are slightly perturbed by the theories employed. The MP2 and CAM-B3LYP, as well as M06-2X and MPW1K functionals give overall best agreement with the benchmark CCSD(T)/CBS energies for the major SN2 reaction channel, and are recommended as the preferred methods for the direct dynamics simulations to uncover the dynamic behaviors of the title reaction.

  14. TiO2/Chitosan-NH4I(+I2-BMII-Based Dye-Sensitized Solar Cells with Anthocyanin Dyes Extracted from Black Rice and Red Cabbage

    Directory of Open Access Journals (Sweden)

    M. H. Buraidah

    2011-01-01

    Full Text Available Dye sensitized solar cells (DSSCs were fabricated using anthocyanin dye and polymer electrolyte with ammonium iodide (NH4I salt. The study was designed to focus on increasing the efficiency of the DSSC. DSSC using 26.9 wt. % chitosan-22 wt. % NH4I(+2.2 wt.% I2-48.9 wt. % IL solid electrolyte, black rice anthocyanin with Pt counter electrode showed Jsc of 172 μA cm−2 and Voc of 195 mV. The performance of the cell with Pt electrode was further improved by coating a blocking layer on the indium tin oxide (ITO substrate. The black rice DSSC using 11 wt. % (chitosan:PEO, wt. ratio 30:70-9 wt. % NH4I-80 wt. % BMII gel electrolyte exhibited Jsc of 1213 μA cm−2, Voc of 400 mV, FF of 0.47, and η of 0.23%. The red cabbage anthocyanin DSSC containing (phthaloyl chitosan-PEO-NH4I-BMII gel electrolyte using tartaric acid to adjust the pH of anthocyanin solution showed the best performance with the fill factor of 0.39, Jsc of 3503 μA cm−2, Voc of 340 mV, and an overall conversion efficiency of 0.46%.

  15. A high-density ammonia storage/delivery system based on Mg(NH3)6Cl2 for SCR-DeNOx in vehicles

    DEFF Research Database (Denmark)

    Elmøe, Tobias Dokkedal; Sørensen, Rasmus Zink; Quaade, Ulrich

    2006-01-01

    ammonia density of up to 93% of that of liquid ammonia. This provides a long lasting ammonia storage (approximate to 20000 km of driving per 6.2 L Mg(NH(3))(6)Cl(2) for an average medium-sized vehicle). The controlled thermal decomposition of Mg(NH(3))(6)Cl(2) was demonstrated. A small reactor...... with a volume of 785 mL was filled with approximate to 260 g of Mg(NH(3))(6)Cl(2) yielding a bed density of 331 kg/m(3). The reactor was coupled to a buffer with a free volume of roughly 200 mL. A heating wire wrapped around the outside of the reactor supplied the heat-energy. A mass-flow controller was used...... as the set-point pressure. The low density was improved by compressing the Mg(NH(3))(6)Cl(2) powder to a density of 1219 kg/m(3), which is very close to the theoretical crystal density of 1252 kg/m(3). Temperature programmed desorption showed that the ammonia could easily be desorped by heating the densified...

  16. Combining anti-cancer drugs with artificial sweeteners: synthesis and anti-cancer activity of saccharinate (sac) and thiosaccharinate (tsac) complexes cis-[Pt(sac)2(NH3)2] and cis-[Pt(tsac)2(NH3)2].

    Science.gov (United States)

    Al-Jibori, Subhi A; Al-Jibori, Ghassan H; Al-Hayaly, Lamaan J; Wagner, Christoph; Schmidt, Harry; Timur, Suna; Baris Barlas, F; Subasi, Elif; Ghosh, Shishir; Hogarth, Graeme

    2014-12-01

    The new platinum(II) complexes cis-[Pt(sac)2(NH3)2] (sac=saccharinate) and cis-[Pt(tsac)2(NH3)2] (tsac=thiosaccharinate) have been prepared, the X-ray crystal structure of cis-[Pt(sac)2(NH3)2] x H2O reveals that both saccharinate anions are N-bound in a cis-arrangement being inequivalent in both the solid-state and in solution at room temperature. Preliminary anti-cancer activity has been assessed against A549 human alveolar type-II like cell lines with the thiosaccharinate complex showing good activity.

  17. Dynamics of CH3NH3PbI3 from first principles simulations

    Science.gov (United States)

    Kachmar, Ali; Carignano, Marcelo

    2015-03-01

    We address the dynamical and optical properties of CH3NH3PbI3 using molecular dynamics simulations based on forces calculated with density functional theory. We have studied the three stable phases of CH3NH3PbI3 but most of the effort was dedicated to the intermediate tetragonal phase, which is stable at standard ambient conditions. In this case, two different system sizes have been considered, one with 8 unit cells (384 atoms) and a larger one with 27 unit cells (1296 atoms). The total simulated time reached 40 ps. Our findings reveal the interplay between the thermal energy of the system and the electronic degrees of freedom. For example, the organic molecule undergoes relatively fast rotations and the energy band gap, approximated by the LUMO-HOMO energy difference, fluctuates around the equilibrium value of ~1.5 eV with a width of 0.2 eV. The rotation of the CH3NH3 molecule is not isotropic, and more importantly, it is quite sensitive to the size of the simulation box. Our study also provides a quantitative measure for the finite size effects affecting the calculated properties and provides a contextual scenario on which to analyze the more typical density functional theory studies based on static calculations on optimal structures. The authors acknowledge the HPC resources of Texas A&M University at Qatar.

  18. Optimization of exopolysaccharides production by Weissella confusa NH 02 isolated from Thai fermented sausages

    Directory of Open Access Journals (Sweden)

    Suppasil Maneerat

    2010-03-01

    Full Text Available Exoploysaccharides (EPSs producing lactic acid bacteria (LAB were isolated from Thai traditional fermented foods. Colonies exhibiting a clear zone and ropiness on modified MRS agar containing 2% (w/v sucrose and 0.02% (w/v bromocresol purple were selected for Gram staining and catalase test. From 140 isolates, 120 isolates were identified as LAB. However, only 14 strains were able to produce a large amount of EPSs (>5.9 g/l when cultivated in modified MRS broth containing 2% (w/v sucrose at 37ºC for 24 hrs. The highest viscosity and yield of EPSs were obtained from isolate NH 02. Based on 16S rDNA analysis, strain NH 02 was identified as Weissella confusa. Sucrose (40 g/l, an initial pH of modified MRS at 7.0, and a cultivation temperature of 37ºC were the optimum conditions, in which EPSs were produced at levels up to 18.08 g/l within 12 hrs. EPSs produced by W. confusa NH 02 contained only glucose and had a molecular mass of 1.13106Da. to 18.08 g/l within 12 hrs.

  19. NH4HCO3 gas-generating liposomal nanoparticle for photoacoustic imaging in breast cancer.

    Science.gov (United States)

    Xia, Jizhu; Feng, Gang; Xia, Xiaorong; Hao, Lan; Wang, Zhigang

    2017-01-01

    In this study, we have developed a biodegradable nanomaterial for photoacoustic imaging (PAI). Its biodegradation products can be fully eliminated from a living organism. It is a gas-generating nanoparticle of liposome-encapsulating ammonium bicarbonate (NH4HCO3) solution, which is safe, effective, inexpensive, and free of side effects. When lasers irradiate these nanoparticles, NH4HCO3 decomposes to produce CO2, which can absorb much of the light energy under laser irradiation with a specific wavelength, and then expand under heat to generate a thermal acoustic wave. An acoustic detector can detect this wave and show it as a photoacoustic signal on a display screen. The intensity of the photoacoustic signal is enhanced corresponding to an increase in time, concentration, and temperature. During in vivo testing, nanoparticles were injected into tumor-bearing nude mice through the caudal vein, and photoacoustic signals were detected from the tumor, reaching a peak in 4 h, and then gradually disappearing. There was no damage to the skin or subcutaneous tissue from laser radiation. Our developed gas-generating nanomaterial, NH4HCO3 nanomaterial, is feasible, effective, safe, and inexpensive. Therefore, it is a promising material to be used in clinical PAI.

  20. Hydrogen adsorption and storage on Palladium - functionalized graphene with NH-dopant: A first principles calculation

    Science.gov (United States)

    Faye, Omar; Szpunar, Jerzy A.; Szpunar, Barbara; Beye, Aboubaker Chedikh

    2017-01-01

    We conducted a detailed theoretical investigation of the structural and electronic properties of single and double sided Pd-functionalized graphene and NH-doped Pd-functionalized graphene, which are shown to be efficient materials for hydrogen storage. Nitrene radical dopant was an effective addition required for enhancing the Pd binding on the graphene sheet as well as the storage of hydrogen. We found that up to eight H2 molecules could be adsorbed by double-sided Pd-functionalized graphene at 0 K with an average binding energy in the range 1.315-0.567 eVA gravimetric hydrogen density of 3.622 wt% was reached in the Pd-functionalized graphene on both sides. The binding mechanism of H2 molecules came not only the polarization mechanism between Pd and H atoms but also from the binding of the Pd atoms on the graphene sheet and the orbital hybridization. The most crucial part of our work is measuring the effect of nitrene radical on the H2 adsorption on Pd-functionalized graphene. Our calculations predicted that the addition of NH radicals on Pd-functionalized graphene enhance the binding of H2 molecules, which helps also to avoid the desorption of Pd(H2)n (n = 1-5) complexes from graphene sheet. Our results also predict Pd-functionalized NH-doped graphene is a potential hydrogen storage medium for on-board applications.

  1. Theoretical Study on Dihydrogen Bonds of NH3BH3 with Several Small Molecules

    Institute of Scientific and Technical Information of China (English)

    An-yong Li; Li-fang Xu; Zhou Ling

    2009-01-01

    The dihydrogen bonds B-H…H-X (X=F, Cl, Br, C, O, N) in the dimer (NH3BH3)2 and the complexes of NH3BH3 with HF, HCl, HBr, H2CO, H2O, and CHaOH were theoretically studied. The results show that formation of the dihydrogen bond leads to elongation and stretch frequency red shift of the BH and XH bonds, except that in the H2CO system, the CH bond blue shifts. For (NH3BH3)2 and the complexes of the halogenides, red shifts of the XH bonds are caused by the intermolecular hyperconjugation a(BH)→σ* (XH). For the system of H2CO, a blue shift of the CH bond is caused by a decrease of the intramolecular hyperconjugation n(O)→σ*(CH). In the other two systems, the red shift of OH bond is systems, red shifts of the BH bonds are caused by two factors: negative repolarization and negative rehybridization of the BH bond, and decrease of occupancy on σ(BH) caused by the intermolecular hyperconjugation σ(BH)→σ* (XH).

  2. Detection of Na+, NH4+, K+ and Ca2+ in the Yoghourt and Beer

    Directory of Open Access Journals (Sweden)

    Dongwu Liu

    2015-08-01

    Full Text Available Ion Chromatography (IC has been developed for the determination of inorganic ions and organic acids. Chromatography can yield the precise and reproducible data if the experimental condition is kept constant. In this study, the cations Na+, NH+4, K+ and Ca2+ in the yoghourt and beers were determined with the technique of IC. A Dionex ICS-2000 ion chromatograph with a Dionex gradient pump, eluent degassing module and conductivity detector was used. Cations were separated on a CS12 A ion-exchange column, with a CG-12 A guard column and detected after suppression with CSRS 300 cation electrical self-regenerating suppressor. The results indicated that the technique of IC was suitable for the rapid, precise and accurate determination of Na+, NH+4, K+ and Ca2+ in the yoghourt and beer samples. In addition, the acceptable detection limits were obtained for Na+, NH+4, K+ and Ca2+ and the time of analysis was significantly shortened with the technique of IC. The data will provide theories and rapid methods for the supervision of yoghourt and beer quality.

  3. Ab initio study on the mechanism of reaction HNCO+NH2

    Institute of Scientific and Technical Information of China (English)

    冀永强; 雷鸣; 冯文林; 徐振峰

    2002-01-01

    Ab initio UMP2 and UQCISD(T) calculations, with 6-311G** basis sets, were performed for the titled reactions. The results show that the reactions have two product channels: NH2+ HNCO→NH3+NCO (1) and NH2+HNCO-N2H3+CO (2), where reaction (1) is a hydrogen abstraction reaction via an H-bonded complex (HBC), lowering the energy by 32.48 kJ/mol relative to reactants. The calculated QCISD(T)//MP2(full) energy barrier is 29.04 kJ/mol, which is in excellent accordance with the experimental value of 29.09 kJ/mol. In the range of reaction temperature 2300-2700 K, transition theory rate constant for reaction (1) is 1.68 × 1011- 3.29 × 1011 mL · mol-1· s-1, which is close to the experimental one of 5.0 ×1011 mL× mol-1· s-1 or less. However, reaction (2) is a stepwise reaction proceeding via two orientation modes, cis and trans, and the energy barriers for the rate-control step at our best calculations are 92.79 kJ/mol (for cis-mode) and 147.43 kJ/mol (for trans-mode), respectively, which is much higher than

  4. Adsorption performances and refrigeration application of adsorption working pair of CaCl2-NH3

    Institute of Scientific and Technical Information of China (English)

    WANG Liwei; WANG Ruzhu; WU Jingyi; WANG Kai

    2004-01-01

    The adsorption performance of CaCl2-NH3 is studied under the condition of different expansion spaces for adsorbent, andthe relationships between adsorption performance of CaCl2-NH3 and the phenomena of swelling and agglomeration during adsorption are researched. It is found that the performance stability is related to the ratio of expansion space to the volume of adsorbent ras, and the performance attenuation is serious in the case of large ras. Severe adsorption hysteresis exists in the process of adsorption and desorption at the same evaporating and condensing temperatures, which is related to the stability constant of chemical reaction. This phenomenon cannot be explained by the theory of physical adsorption. Moderate agglomeration will be beneficial to the formation of ammoniate complex; the magnitude of expansion space will affect adsorption performance. Analysis shows that the activated energy needed in the process of adsorption for the sample with ras of 2:1 is less than that for the sample with ras of 3:1.The refrigeration performance of CaCl2-NH3 is predicted from experiments. The cooling capacity of one adsorption cycle is about 945.4 kJ/kg for the adsorbent with an ras of 2:1 at the evaporating temperature of 0℃.

  5. Diagnosing shock temperature with NH$_3$ and H$_2$O profiles

    CERN Document Server

    Gómez-Ruiz, A I; Viti, S; Jiménez-Serra, I; Navarra, G; Bachiller, R; Caselli, P; Fuente, A; Gusdorf, A; Lefloch, B; Lorenzani, A; Nisini, B

    2016-01-01

    In a previous study of the L1157 B1 shocked cavity, a comparison between NH$_3$(1$_0$-$0_0$) and H$_2$O(1$_{\\rm 10}$--1$_{\\rm 01}$) transitions showed a striking difference in the profiles, with H$_2$O emitting at definitely higher velocities. This behaviour was explained as a result of the high-temperature gas-phase chemistry occurring in the postshock gas in the B1 cavity of this outflow. If the differences in behaviour between ammonia and water are indeed a consequence of the high gas temperatures reached during the passage of a shock, then one should find such differences to be ubiquitous among chemically rich outflows. In order to determine whether the difference in profiles observed between NH$_3$ and H$_2$O is unique to L1157 or a common characteristic of chemically rich outflows, we have performed Herschel-HIFI observations of the NH$_3$(1$_0$-0$_0$) line at 572.5 GHz in a sample of 8 bright low-mass outflow spots already observed in the H$_2$O(1$_{\\rm 10}$--1$_{\\rm 01}$) line within the WISH KP. We d...

  6. NH4HCO3 gas-generating liposomal nanoparticle for photoacoustic imaging in breast cancer

    Science.gov (United States)

    Xia, Jizhu; Feng, Gang; Xia, Xiaorong; Hao, Lan; Wang, Zhigang

    2017-01-01

    In this study, we have developed a biodegradable nanomaterial for photoacoustic imaging (PAI). Its biodegradation products can be fully eliminated from a living organism. It is a gas-generating nanoparticle of liposome-encapsulating ammonium bicarbonate (NH4HCO3) solution, which is safe, effective, inexpensive, and free of side effects. When lasers irradiate these nanoparticles, NH4HCO3 decomposes to produce CO2, which can absorb much of the light energy under laser irradiation with a specific wavelength, and then expand under heat to generate a thermal acoustic wave. An acoustic detector can detect this wave and show it as a photoacoustic signal on a display screen. The intensity of the photoacoustic signal is enhanced corresponding to an increase in time, concentration, and temperature. During in vivo testing, nanoparticles were injected into tumor-bearing nude mice through the caudal vein, and photoacoustic signals were detected from the tumor, reaching a peak in 4 h, and then gradually disappearing. There was no damage to the skin or subcutaneous tissue from laser radiation. Our developed gas-generating nanomaterial, NH4HCO3 nanomaterial, is feasible, effective, safe, and inexpensive. Therefore, it is a promising material to be used in clinical PAI. PMID:28293107

  7. Chemically driven negative linear compressibility in sodium amidoborane, Na(NH2BH3)

    Science.gov (United States)

    Magos-Palasyuk, Ewelina; Fijalkowski, Karol J.; Palasyuk, Taras

    2016-06-01

    Over the past few years we have been witnessing a surge of scientific interest to materials exhibiting a rare mechanical effect such as negative linear compressibility (NLC). Here we report on strong NLC found in an ionic molecular crystal of sodium amidoborane (NaAB) – easily-accessible, optically transparent material. In situ Raman measurements revealed abnormal elongation of B-N and N-H bonds of NaAB at pressure about 3 GPa. Ab initio calculations indicate the observed spectroscopic changes are due to an isostructural phase transition accompanied by a stepwise expansion of the crystal along c axis. Analysis of calculated charge density distribution and geometry of molecular species (NH2BH3) univocally points to a chemically driven mechanism of NLC – pressure-induced formation of hydrogen bonds. The new H-bond acts as a “pivot screw” coupling N-H covalent bonds of neighbor molecular species – a system resembling a two-lever “jack device” on a molecular scale. A mechanism based on formation of new bonds stands in apparent contrast to mechanisms so far reported in majority of NLC materials where no significant alteration of chemical bonding was observed. The finding therefore suggests a qualitatively new direction in exploration the field towards rational design of incompressible materials.

  8. N-H related defects in GaAsN grown through chemical beam epitaxy

    Science.gov (United States)

    Ohshita, Yoshio; Ikeda, Kazuma; Suzuki, Hidetoshi; Machida, Hideaki; Sudoh, Hiroshi; Tanaka, Tomohiro; Honda, Takahiko; Inagaki, Makoto; Yamaguchi, Masafumi

    2014-03-01

    The local vibration modes of N-H related defects in GaAsN are studied using isotopes. When GaAsN is grown through chemical beam epitaxy (CBE) using triethylgallium/tris(dimethylamino)arsenic/monomethylhydrazine gas, there are several local vibration modes (LVMs) in Fourier transform infrared (FTIR) spectra. Signals with stretching mode peaks at 2952, 3098, and 3125 cm-1 are reported, along with new wagging and stretching mode peaks at 960 and 3011 cm-1, which exist only in crystals grown through CBE. When the film is grown using deuterated MMHy as a nitrogen source, new peaks at 2206, 2302, 2318, 2245, and 714 cm-1 appear. This suggests that D related defects are created because of the deuterated MMHy. The ratios of frequencies of these new peaks to those obtained from crystals grown using MMHy are nearly 1.34. This suggests that all defects in GaAsN grown through CBE, which appear as LVMs, are N-H related defects. Especially, those with LVMs at 960 and 3011 cm-1 are new N-H defects only found in GaAsN grown through CBE.

  9. Structure and stability in TMC-1: analysis of NH$_3$ molecular line and Herschel continuum data

    CERN Document Server

    Fehér, O; Ward-Thompson, D; Kirk, J; Kraus, A; Pelkonen, V -M; Pintér, S; Zahorecz, S

    2016-01-01

    We observed high S/N, high velocity resolution NH$_3$(1,1) and (2,2) emission on an extended map in TMC-1, a filamentary cloud in a nearby quiescent star forming area. By fitting multiple hyperfine-split line profiles to the NH$_3$(1,1) spectra we derived the velocity distribution of the line components and calculated gas parameters on several positions. Herschel SPIRE continuum observations were reduced and used to calculate the physical parameters of the Planck Galactic Cold Clumps in the region. The Herschel-based column density map of TMC-1 shows a main ridge with two local maxima and a separated peak to the south-west. H$_2$-column densities and dust temperatures are in the range of 0.5-3.3 $\\times$ 10$^{22}$ cm$^{-2}$ and 10.5-12 K, respectively. NH$_3$-column densities are 2.8-14.2 $\\times$ 10$^{14}$ cm$^{-2}$ and and H$_2$-volume densities are 0.4-2.8 $\\times$ 10$^4$ cm$^{-3}$. Kinetic temperatures are typically very low with a minimum of 9 K, and a maximum of 13.7 K was found at the Class I protostar...

  10. Comparison among NH3 and GHGs emissive patterns from different housing solutions of dairy farms

    Science.gov (United States)

    Baldini, Cecilia; Borgonovo, Federica; Gardoni, Davide; Guarino, Marcella

    2016-09-01

    Agriculture and livestock farming are known to be activities emitting relevant quantities of atmospheric pollutants. In particular, in intensive animal farming, buildings can be identified as a relevant source of ammonia and greenhouse gases. This study aimed at: i) determining the emission factors of NH3, N2O, CH4, and CO2 from different dairy farms in Italy, and ii) assessing the effects of the different floor types and manure-handling systems used, in order to minimize the impact of this important productive sector. A measurement campaign was carried out for 27 months in four naturally ventilated dairy cattle buildings with different floor types, layouts and manure management systems, representative of the most common technologies in the north of Italy. Gas emissions were measured with the ;static chamber method;: a chamber was placed above the floor farm and an infrared photoacoustic detector (IPD) was used to monitor gas accumulation over time. In the feeding alleys, emissions of NH3 were higher from solid floors than from flushing systems and perforated floors. N2O emissions were significantly different among farms but the absolute values were relatively low. CH4 and CO2 emissions were higher from perforated floors than from other types of housing solution. Regarding the cubicles, the emissions of NH3 were approximately equal from the two housing solution studied. Contrariwise, N2O, CH4 and CO2 emissions were different between the cubicles with rubber mat and those with straw where the highest values were found.

  11. Laboratory rotational ground state transitions of NH$_3$D$^+$ and CF$^+$

    CERN Document Server

    Stoffels, Alexander; Schlemmer, Stephan; Brünken, Sandra

    2016-01-01

    Aims. This paper reports accurate laboratory frequencies of the rotational ground state transitions of two astronomically relevant molecular ions, NH3D+ and CF+. Methods. Spectra in the millimeter-wave band were recorded by the method of rotational state-selective attachment of He-atoms to the molecular ions stored and cooled in a cryogenic ion trap held at 4 K. The lowest rotational transition in the A state (ortho state) of NH$_3$D$^+$ ($J_K = 1_0 - 0_0$), and the two hyperfine components of the ground state transition of CF$^+$($J = 1 - 0$) were measured with a relative precision better than $10^{-7}$. Results. For both target ions the experimental transition frequencies agree with recent observations of the same lines in different astronomical environments. In the case of NH$_3$D$^+$ the high-accuracy laboratory measurements lend support to its tentative identification in the interstellar medium. For CF$^+$ the experimentally determined hyperfine splitting confirms previous quantum-chemical calculations a...

  12. Ammonia mobility in chabazite: insight into the diffusion component of the NH3-SCR process.

    Science.gov (United States)

    O'Malley, Alexander J; Hitchcock, Iain; Sarwar, Misbah; Silverwood, Ian P; Hindocha, Sheena; Catlow, C Richard A; York, Andrew P E; Collier, P J

    2016-06-29

    The diffusion of ammonia in commercial NH3-SCR catalyst Cu-CHA was measured and compared with H-CHA using quasielastic neutron scattering (QENS) and molecular dynamics (MD) simulations to assess the effect of counterion presence on NH3 mobility in automotive emission control relevant zeolite catalysts. QENS experiments observed jump diffusion with a jump distance of 3 Å, giving similar self-diffusion coefficient measurements for both Cu- and H-CHA samples, in the range of ca. 5-10 × 10(-10) m(2) s(-1) over the measured temperature range. Self-diffusivities calculated by MD were within a factor of 6 of those measured experimentally at each temperature. The activation energies of diffusion were also similar for both studied systems: 3.7 and 4.4 kJ mol(-1) for the H- and Cu-chabazite respectively, suggesting that counterion presence has little impact on ammonia diffusivity on the timescale of the QENS experiment. An explanation is given by the MD simulations, which showed the strong coordination of NH3 with Cu(2+) counterions in the centre of the chabazite cage, shielding other molecules from interaction with the ion, and allowing for intercage diffusion through the 8-ring windows (consistent with the experimentally observed jump length) to carry on unhindered.

  13. N-H stretching modes around 3300 wavenumber from peptide backbones observed by chiral sum frequency generation vibrational spectroscopy.

    Science.gov (United States)

    Fu, Li; Wang, Zhuguang; Yan, Elsa C Y

    2014-09-01

    We present a detailed analysis of the molecular origin of the chiral sum frequency generation (SFG) signals of proteins and peptides at interfaces in the N-H stretching vibrational region. The N-H stretching can be a probe for investigating structural and functional properties of proteins, but remains technically difficult to analyze due to the overlapping with the O-H stretching of water molecules. Chiral SFG spectroscopy offers unique tools to study the N-H stretching from proteins at interfaces without interference from the water background. However, the molecular origin of the N-H stretching signals of proteins is still unclear. This work provides a justification of the origin of chiral N-H signals by analyzing the vibrational frequencies, examining chiral SFG theory, studying proton (hydrogen/deuterium) exchange kinetics, and performing optical control experiments. The results demonstrate that the chiral N-H stretching signals at ~3300 cm(-1) originate from the amide group of the protein backbones. This chiral N-H stretching signal offers an in situ, real-time, and background-free probe for interrogating the protein structures and dynamics at interfaces at the molecular level. © 2014 Wiley Periodicals, Inc.

  14. Four-Terminal Tandem Solar Cells Using CH3NH3PbBr3 by Spectrum Splitting.

    Science.gov (United States)

    Sheng, Rui; Ho-Baillie, Anita W Y; Huang, Shujuan; Keevers, Mark; Hao, Xiaojing; Jiang, Liangcong; Cheng, Yi-Bing; Green, Martin A

    2015-10-01

    In this work, the use of a high bandgap perovskite solar cell in a spectrum splitting system is demonstrated. A remarkable energy conversion efficiency of 23.4% is achieved when a CH3NH3PbBr3 solar cell is coupled with a 22.7% efficient silicon passivated emitter rear locally diffused solar cell. Relative enhancements of >10% are demonstrated by CH3NH3PbBr3/CH3NH3PbI3 and CH3NH3PbBr3/multicrystalline-screen-printed-Si spectral splitting systems with tandem efficiencies of 13.4% and 18.8%, respectively. The former is the first demonstration of an all perovskite split spectrum system. The CH3NH3PbBr3 cell on a mesoporous structure was fabricated by the vapor-assisted method while the planar CH3NH3PbI3 cell was fabricated by the gas-assisted method. This work demonstrates the advantage of the higher voltage output from the high bandgap CH3NH3PbBr3 cell and its suitability in a tandem system.

  15. Kinetic studies and evaluation of potential compounds for the chemotherapy of Leishmaniasis using LdNH-MBP

    Energy Technology Data Exchange (ETDEWEB)

    Renno, M.N.; Figueroa-Villar, J.D. [Instituto Militar de Engenharia (IME), Rio de Janeiro, RJ (Brazil). Dept. de Quimica; Silva, N.B. da; Tinoco, L.W. [Universidade Federal do Rio de Janeiro (UFRJ), Rio de Janeiro, RJ (Brazil). Nucleo de Pesquisas de Produtos Naturais; Borja-Cabrera, G.P.; Palatnik-de-Sousa, C.B.P. [Universidade Federal do Rio de Janeiro (UFRJ), Rio de Janeiro, RJ (Brazil). Inst. de Microbiologia

    2008-07-01

    Full text: Protozoan parasites rely exclusively on purine salvage from the host for DNA and RNA synthesis and nucleoside hydrolases (N Hs) are the enzymes that catalyze the N-rib osyl hydrolysis of all commonly occurring purine and pi rimidine nucleosides, thus being excellent targets for the design of antiparasitic compounds. The general aim of our work with Leishmania donovani NH (LdNH) is to find new inhibitors for this enzyme as potential agents for the chemotherapy of visceral leishmaniasis. In this part of the work we expressed LdNH bound to maltose-binding protein (MBP) in E. coli using the pMAL-C2x vector. After purification by affinity chromatography the enzyme activity was monitored by UV (280 nm) and {sup 1}H NMR spectroscopy using inosine as substrate. All the assays were carried out at 25 deg C in phosphate buffer (pH 8.0) in water (UV) and D{sub 2}O (NMR). Our results show that LdNH-MBP behaves kinetically in the same way as it have been reported for free LdNH, thus confirming that LdNH-MBP maintains the appropriate folding and activity of the enzyme active site, thus being a good model to develop and evaluate new inhibitors of LdNH. As an example, the kinetics tests with AZT have shown that this compound is not an effective inhibitor of this enzyme.

  16. Vibrational spectroscopic study of ionic association in poly(ethylene oxide)-NH4SCN polymer electrolytes.

    Science.gov (United States)

    Zhang, Hucheng; Wang, Jianji

    2009-01-01

    The polymer-ammonium complexes are an important class of proton conducting polymer electrolytes. In this work, poly(ethylene oxide) (PEO)-NH(4)SCN electrolytes were prepared over a large range of the salt content, and their FT-IR spectra were measured at room temperature. Based on the assignments of each band in the spectral envelope of SCN(-1), their relative intensities are determined by the use of FT-IR technique. Following the experimental results and spectral analyses, this paper reports the interactions, the various ionic associations, the changes of the ionic association with NH(4)SCN content, and the characteristics of structure in PEO-NH(4)SCN electrolytes. It is shown that the hydrogen bonds of PEO and NH(4)SCN exert the great effect to the ionic association, the interactions of PEO with NH(4)SCN, and PEO crystallinity, in particular, under the condition of high NH(4)SCN content. In addition, the differences of ionic association among PEO-NaSCN, PEO-KSCN and NH(4)SCN electrolytes are also compared in this paper.

  17. Evaluation of a regional air-quality model with bidirectional NH3 exchange coupled to an agroecosystem model

    Directory of Open Access Journals (Sweden)

    J. O. Bash

    2013-03-01

    Full Text Available Atmospheric ammonia (NH3 is the primary atmospheric base and an important precursor for inorganic particulate matter and when deposited NH3 contributes to surface water eutrophication, soil acidification and decline in species biodiversity. Flux measurements indicate that the air–surface exchange of NH3 is bidirectional. However, the effects of bidirectional exchange, soil biogeochemistry and human activity are not parameterized in air quality models. The US Environmental Protection Agency's (EPA Community Multiscale Air-Quality (CMAQ model with bidirectional NH3 exchange has been coupled with the United States Department of Agriculture's (USDA Environmental Policy Integrated Climate (EPIC agroecosystem model. The coupled CMAQ-EPIC model relies on EPIC fertilization timing, rate and composition while CMAQ models the soil ammonium (NH4+ pool by conserving the ammonium mass due to fertilization, evasion, deposition, and nitrification processes. This mechanistically coupled modeling system reduced the biases and error in NHx (NH3 + NH4+ wet deposition and in ambient aerosol concentrations in an annual 2002 Continental US (CONUS domain simulation when compared to a 2002 annual simulation of CMAQ without bidirectional exchange. Fertilizer emissions estimated in CMAQ 5.0 with bidirectional exchange exhibits markedly different seasonal dynamics than the US EPA's National Emissions Inventory (NEI, with lower emissions in the spring and fall and higher emissions in July.

  18. Evaluation of a regional air-quality model with bidirectional NH3 exchange coupled to an agroecosystem model

    Science.gov (United States)

    Bash, J. O.; Cooter, E. J.; Dennis, R. L.; Walker, J. T.; Pleim, J. E.

    2013-03-01

    Atmospheric ammonia (NH3) is the primary atmospheric base and an important precursor for inorganic particulate matter and when deposited NH3 contributes to surface water eutrophication, soil acidification and decline in species biodiversity. Flux measurements indicate that the air-surface exchange of NH3 is bidirectional. However, the effects of bidirectional exchange, soil biogeochemistry and human activity are not parameterized in air quality models. The US Environmental Protection Agency's (EPA) Community Multiscale Air-Quality (CMAQ) model with bidirectional NH3 exchange has been coupled with the United States Department of Agriculture's (USDA) Environmental Policy Integrated Climate (EPIC) agroecosystem model. The coupled CMAQ-EPIC model relies on EPIC fertilization timing, rate and composition while CMAQ models the soil ammonium (NH4+) pool by conserving the ammonium mass due to fertilization, evasion, deposition, and nitrification processes. This mechanistically coupled modeling system reduced the biases and error in NHx (NH3 + NH4+) wet deposition and in ambient aerosol concentrations in an annual 2002 Continental US (CONUS) domain simulation when compared to a 2002 annual simulation of CMAQ without bidirectional exchange. Fertilizer emissions estimated in CMAQ 5.0 with bidirectional exchange exhibits markedly different seasonal dynamics than the US EPA's National Emissions Inventory (NEI), with lower emissions in the spring and fall and higher emissions in July.

  19. Effects of incorporating PbS quantum dots in perovskite solar cells based on CH3NH3PbI3

    Science.gov (United States)

    Yang, Ying; Wang, Wenyong

    2015-10-01

    PbS quantum dots (QDs), prepared by the successive ionic layer adsorption and reaction (SILAR) method, are incorporated in perovskite solar cells based on CH3NH3PbI3. Enhanced light absorption in the wavelength range of 330-1400 nm is observed, and the cell prepared with 2 SILAR coating cycles exhibits the best photovoltaic performance. It is observed that the PbS QDs can reduce the TiO2 decomposition damage to the CH3NH3PbI3 films and promote the stability of the modified perovskite solar cells. Charge transfer dynamics in the perovskite solar cells is studied with intensity modulated photocurrent/photovoltage spectroscopy, and improved charge diffusion lengths are obtained for the modified cells, with the best value of 0.86 μm obtained for the device prepared with 2 SILAR coating cycles. This improvement could be attributed to the enhanced electron transport and reduced electron recombination processes in the device structures after incorporating PbS QDs.

  20. Molecular Self-Assembly Fabrication and Carrier Dynamics of Stable and Efficient CH3 NH3 Pb(1-x) Snx I3 Perovskite Solar Cells.

    Science.gov (United States)

    Fan, Jiandong; Liu, Chong; Li, Hongliang; Zhang, Cuiling; Li, Wenzhe; Mai, Yaohua

    2017-06-22

    The Sn-based perovskite solar cells (PSCs) provide the possibility of swapping the Pb element toward developing toxic-free PSCs. Here, we innovatively employed a molecular self-assembly approach to obtain a series CH3 NH3 Pb(1-x) Snx I3 (0≤x≤1) perovskite thin films with full coverage. The optimized planar CH3 NH3 Pb0.75 Sn0.25 I3 PSC with inverted structure was consequently realized with a maximum power conversion efficiency (PCE) over 14 %, which displayed a stabilized power output (SPO) over 12 % within 200 s at 0.6 V forward bias. Afterward, we investigated the factors that limited the efficiency improvement of hybrid Sn-Pb PSCs, and analyzed the possible reason of the hysteresis effect occurred even in the inverted structure cell. Particularly, the oxidation of hybrid Sn-Pb perovskite thin film was demonstrated to be the main reason that limited its further efficiency improvement. The imbalance of charge transport was intensified, which was associated with the increased hole defect-state density and decreased electron defect-state density after Sn was introduced. This study helps tackle the intractable issue regarding the toxic Pb in perovskite devices and is a step forward toward realizing lead-free PSCs with high stability and efficiency. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.