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Sample records for site sikeston mo

  1. Environmental restoration contractor facility safety plan -- MO-561 100-D site remediation project

    International Nuclear Information System (INIS)

    Donahoe, R.L.

    1996-11-01

    This safety plan is applicable to Environmental Restoration Contractor personnel who are permanently assigned to MO-561 or regularly work in the facility. The MO-561 Facility is located in the 100-D Area at the Hanford Site in Richland, Washington. This plan will: (a) identify hazards potentially to be encountered by occupants of MO-561; (b) provide requirements and safeguards to ensure personnel safety and regulatory compliance; (c) provide information and actions necessary for proper emergency response

  2. Anti-site defected MoS2 sheet-based single electron transistor as a gas sensor

    Science.gov (United States)

    Sharma, Archana; Husain, Mushahid; Srivastava, Anurag; Khan, Mohd. Shahid

    2018-05-01

    To prevent harmful and poisonous CO gas molecules, catalysts are needed for converting them into benign substances. Density functional theory (DFT) calculations have been used to study the adsorption of CO and CO2 gas molecules on the surface of MoS2 monolayer with Mo atom embedded at S-vacancy site (MoS). The strong interaction between Mo metal with pristine MoS2 sheet suggests its strong binding nature. Doping Mo into MoS2 sheet enhances CO and CO2 adsorption strength. The sensing response of MoS-doped MoS2 system to CO and CO2 gas molecules is obtained in the single electron transistor (SET) environment by varying bias voltage. Doping reduces charging energy of the device which results in fast switching of the device from OFF to ON state.

  3. 76 FR 38357 - Reorganization of Foreign-Trade Zone 102, Under Alternative Site Framework; St. Louis, MO

    Science.gov (United States)

    2011-06-30

    ... Zone 102, Under Alternative Site Framework; St. Louis, MO Pursuant to its authority under the Foreign.../2010) as an option for the establishment or reorganization of general-purpose zones; Whereas, the St... the City of St. Louis and St. Louis County, Missouri, within and adjacent to the St. Louis Customs and...

  4. MoDOT pavement preservation research program volume V, site-specific pavement condition assessment.

    Science.gov (United States)

    2015-11-01

    The overall objective of Task 4 was to thoroughly assess the cost-effectiveness and utility of selected non-invasive technologies as : applicable to MoDOT roadways. Non-invasive imaging technologies investigated in this project were Ultrasonic Surfac...

  5. Provenance analysis of Roman stone artefacts from sedimentary rocks from the archaeological site near Mošnje, NW Slovenia

    Directory of Open Access Journals (Sweden)

    Snježana Miletić

    2016-08-01

    Full Text Available This study deals with the macroscopic and microfacies characterisation of Roman stone artefacts excavated in 2006 from a Roman villa rustica near Mošnje (NW Slovenia with the aim of defiing their provenance. A total of 28 representative fids (querns, mortars, whetstones, tooled and rounded stones, a fragment of stone slab, mosaic tesserae and two architectural elements - one with a relief made of clastic and carbonate sedimentary rocks were examined. Comparison was made with rock samples taken from quarries and gravel bars close to the archaeological site, as well as from larger distance to the site. The majority of artefact sampled is composed of Upper Palaeozoic quartz sandstones, which are found as pebbles in gravel bars close to the archaeological site; while 2 samples were from Quaternary coarse grained clastic rocks which can be found in local glacio-flvial sediments. Other fids were made of four different Mesozoic shallow-water limestones which outcrop in different areas of Central and SW Slovenia. The nearest Lower Jurassic biopelmicritic limestones are found at the western periphery of Ljubljana in Podutik. Cretaceous miliolid limestones and biocalcarenitic limestones with rudists are common in the successions of the Dinaric Carbonate Platform in SW Slovenia (for example, on the Trieste-Komen Plateau, NE Italy and SW Croatia. This indicates that the limestones for architectural elements, stone mortars and tesserae were brought to Mošnje from distant locations. Smaller stone tools are likely to have been made at the location of the archaeological site from material gathered locally, mostly pebbles from clastic rocks, which were accessible and suitable for tooling.

  6. Environmental Monitoring, Water Quality - MO 2009 Stream Team Volunteer Water Quality Monitoring Sites (SHP)

    Data.gov (United States)

    NSGIC State | GIS Inventory — This data set shows the monitoring locations of trained Volunteer Water Quality Monitors. A monitoring site is considered to be a 300 foot section of stream channel....

  7. Separation of Metal Binding and Electron Transfer Sites as a Strategy To Stabilize the Ligand-Reduced and Metal-Oxidized Form of [Mo(CO)4L

    Czech Academy of Sciences Publication Activity Database

    Bulak, E.; Varnali, T.; Schwederski, B.; Bubrin, D.; Fiedler, Jan; Kaim, W.

    2011-01-01

    Roč. 30, č. 23 (2011), s. 6441-6445 ISSN 0276-7333 R&D Projects: GA ČR GA203/09/0705 Institutional research plan: CEZ:AV0Z40400503 Keywords : Electron Transfer Sites * [Mo(CO)4L] * metal carbonyl complexes Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 3.963, year: 2011

  8. Microwave-induced activation of additional active edge sites on the MoS2 surface for enhanced Hg0 capture

    Science.gov (United States)

    Zhao, Haitao; Mu, Xueliang; Yang, Gang; Zheng, Chengheng; Sun, Chenggong; Gao, Xiang; Wu, Tao

    2017-10-01

    In recent years, significant effort has been made in the development of novel materials for the removal of mercury from coal-derived flue gas. In this research, microwave irradiation was adopted to induce the creation of additional active sites on the MoS2 surface. The results showed that Hg0 capture efficiency of the adsorbent containing MoS2 nanosheets being microwave treated was as high as 97%, while the sample prepared via conventional method only showed an efficiency of 94% in its first 180 min testing. After the adsorbent was treated by microwave irradiation for 3 more times, its mercury removal efficiency was still noticeably higher than that of the sample prepared via conventional method. Characterization of surface structure of the MoS2 containing material together with DFT study further revealed that the (001) basal planes of MoS2 crystal structure were cracked into (100) edge planes (with an angle of approximately 75°) under microwave treatment, which subsequently resulted in the formation of additional active edge sites on the MoS2 surface and led to the improved performance on Hg0 capture.

  9. Highly efficient dual cocatalyst-modified TiO2 photocatalyst: RGO as electron-transfer mediator and MoSx as H2-evolution active site

    Science.gov (United States)

    Xu, Ying; Li, Yongan; Wang, Ping; Wang, Xuefei; Yu, Huogen

    2018-02-01

    The rapid interfacial charge transfer and interfacial catalytic reaction are highly desirable to improve the photocatalytic H2-evolution performance of semiconductor photocatalysts. To achieve the goal, in the paper, MoSx-rGO/TiO2 was synthesized by a facilely two-step photocatalytic reduction approach including reducing GO/TiO2 to rGO/TiO2 and then reducing ammonium tetrathiomolybdate ((NH4)2MoS4) to form amorphous MoSx on the rGO surface. In the case, the rGO nanosheets as an electron mediator caused rapid transportation of photogenerated electrons from the conduction band (CB) of TiO2, while amorphous MoSx served as an effective active site for the following interfacial reduction reaction for H2 evolution. The photocatalytic results indicated that the H2-evolution rate of synthesized MoSx-rGO/TiO2 was 206.6 μmol h-1, which was obviously higher than that of TiO2 (6.9 μmol h-1), rGO/TiO2 (31.8 μmol h-1) and MoSx/TiO2 (150.1 μmol h-1) due to the rapid interfacial charge transfer and interfacial catalytic reaction. Considering the present mild and green approach, the obtained MoSx-rGO/TiO2 could be regarded as a potential photocatalyst for the practical application. In addition, this work also could provide some new insights for the smart design and preparation of inexpensive and high-efficiency photocatalytic materials.

  10. NH{sub 3} adsorption on the Lewis and Bronsted acid sites of MoO{sub 3} (0 1 0) surface: A cluster DFT study

    Energy Technology Data Exchange (ETDEWEB)

    Yan, Zhifeng [College of Chemistry and Chemical Engineering, Taiyuan University of Technology, Taiyuan 030024, Shanxi (China); College of Material Science and Engineering, Taiyuan University of Technology, Taiyuan 030024, Shanxi (China); Fan, Junyan [Foundation Department, Shanxi Police Academy, No. 27 Second Section of Old Jinci Road, Taiyuan 030021, Shanxi (China); Zuo, Zhijun [Key Laboratory of Coal Science and Technology of Ministry of Education and Shanxi Province, Taiyuan University of Technology, Taiyuan 030024, Shanxi (China); Li, Zhe, E-mail: lizhe@tyut.edu.cn [College of Chemistry and Chemical Engineering, Taiyuan University of Technology, Taiyuan 030024, Shanxi (China); Zhang, Jinshan [College of Material Science and Engineering, Taiyuan University of Technology, Taiyuan 030024, Shanxi (China)

    2014-01-01

    The adsorption of NH{sub 3} on the Lewis and Bronsted acid sites of MoO{sub 3} (0 1 0) surface has been investigated based on the density functional theory (DFT) method using the clusters models. The calculated results indicate that NH{sub 3} could strongly adsorb on both the Lewis and Bronsted acid sites in the form of NH{sub 3} species and NH{sub 4}{sup +} respectively, whereas the adsorption on the Lewis acid site is found to be more favorable energetically than that on the Bronsted acid site. For the Lewis acid site Mulliken population analysis shows a donation of lone pairs from NH{sub 3} to the surface and activation of N–H bond. The overlaps of N-s, N-p and Mo-d orbitals suggest the strong interaction between N and Mo atoms. For the Bronsted acid site N–H bond is also activated by the formation of NH{sub 4}{sup +} species. The hybridizations between H and O atoms as well as N and H atoms are the major reasons for strong chemical adsorption of NH{sub 3} and the existence of NH{sub 4}{sup +} species, which partly attributed to the presence of N–H… O hydrogen bonds. Furthermore, the formation of a second Lewis acid site at adjacent or diagonal site results in slight changes of adsorption stability, structural changes and charge redistributions, suggesting its small influence on NH{sub 3} adsorption.

  11. A study of element migration in the Maqarin site (Jordan) by the means of column experiments: II. trace elements (Cr, Se, Mo, Re)

    International Nuclear Information System (INIS)

    Trotignon, L.; Bienvenu, P.; Provitina, O.; Rose, J.; Khoury, H.; Trocellier, P.; Mercier, F.; Raimbault, L.

    2005-01-01

    Full text of publication follows: The site of Maqarin (Jordan), in which natural cements occur as a result of the combustion metamorphism of a bio-micrite, is studied since 1989 as a natural analogue for the long term evolution of a cementitious repository environment [1]. Several trace elements of interest (Cr, Se, Mo, Re) are mobilized on this site by percolating groundwaters and migrate along high pH plumes. Laboratory scale column experiments were conducted in which crushed materials (cement, bio-micrite) collected on site were submitted to leaching by deionized water or Ca(OH) 2 equilibrated solutions. The evolution of Cr, Mo, Se and Re was monitored in leachates during the experiments. Characterizations of the solid phase using several techniques were also conducted in order to locate these elements in the mineral phases. Comparison of experimental data with records of trace element concentration in Maqarin groundwaters gives some insight on Re, Cr, Se and Mo sources and sinks in this environment. Both the imprint of the past combustion event and present day redox transformations explain several features of the datasets. However, due to the high complexity of the cements, in which trace elements are often distributed among several mineral phases, it is presently not possible to link in a straightforward way individual mineral dissolution processes and trace element signals in waters. [1] Khoury H. N., Salameh E., Clark I. D., Fritz P., Bajjali W., Milodowski A. E., Cave M. R. and Alexander W. R. 1992. A natural analogue of high pH cement pore waters from the Maqarin area of northern Jordan. I: Introduction to the site. J. Geochem. Explor. 46: 117-132. (authors)

  12. Tunable Mobility in Double-Gated MoTe2 Field-Effect Transistor: Effect of Coulomb Screening and Trap Sites.

    Science.gov (United States)

    Ji, Hyunjin; Joo, Min-Kyu; Yi, Hojoon; Choi, Homin; Gul, Hamza Zad; Ghimire, Mohan Kumar; Lim, Seong Chu

    2017-08-30

    There is a general consensus that the carrier mobility in a field-effect transistor (FET) made of semiconducting transition-metal dichalcogenides (s-TMDs) is severely degraded by the trapping/detrapping and Coulomb scattering of carriers by ionic charges in the gate oxides. Using a double-gated (DG) MoTe 2 FET, we modulated and enhanced the carrier mobility by adjusting the top- and bottom-gate biases. The relevant mechanism for mobility tuning in this device was explored using static DC and low-frequency (LF) noise characterizations. In the investigations, LF-noise analysis revealed that for a strong back-gate bias the Coulomb scattering of carriers by ionized traps in the gate dielectrics is strongly screened by accumulation charges. This significantly reduces the electrostatic scattering of channel carriers by the interface trap sites, resulting in increased mobility. The reduction of the number of effective trap sites also depends on the gate bias, implying that owing to the gate bias, the carriers are shifted inside the channel. Thus, the number of active trap sites decreases as the carriers are repelled from the interface by the gate bias. The gate-controlled Coulomb-scattering parameter and the trap-site density provide new handles for improving the carrier mobility in TMDs, in a fundamentally different way from dielectric screening observed in previous studies.

  13. Metal substitution in the active site of nitrogenase MFe(7)S(9) (M = Mo(4+), V(3+), Fe(3+)).

    Science.gov (United States)

    Lovell, Timothy; Torres, Rhonda A; Han, Wen-Ge; Liu, Tiqing; Case, David A; Noodleman, Louis

    2002-11-04

    The unifying view that molybdenum is the essential component in nitrogenase has changed over the past few years with the discovery of a vanadium-containing nitrogenase and an iron-only nitrogenase. The principal question that has arisen for the alternative nitrogenases concerns the structures of their corresponding cofactors and their metal-ion valence assignments and whether there are significant differences with that of the more widely known molybdenum-iron cofactor (FeMoco). Spin-polarized broken-symmetry (BS) density functional theory (DFT) calculations are used to assess which of the two possible metal-ion valence assignments (4Fe(2+)4Fe(3+) or 6Fe(2+)2Fe(3+)) for the iron-only cofactor (FeFeco) best represents the resting state. For the 6Fe(2+)2Fe(3+) oxidation state, the spin coupling pattern for several spin state alignments compatible with S = 0 were generated and assessed by energy criteria. The most likely BS spin state is composed of a 4Fe cluster with spin S(a) = (7)/(2) antiferromagnetically coupled to a 4Fe' cluster with spin S(b) = (7)/(2). This state has the lowest DFT energy for the isolated FeFeco cluster and displays calculated Mössbauer isomer shifts consistent with experiment. Although the S = 0 resting state of FeFeco has recently been proposed to have metal-ion valencies of 4Fe(2+)4Fe(3+) (derived from experimental Mössbauer isomer shifts), our isomer shift calculations for the 4Fe(2+)4Fe(3+) oxidation state are in poorer agreement with experiment. Using the Mo(4+)6Fe(2+)Fe(3+) oxidation level of the cofactor as a starting point, the structural consequences of replacement of molybdenum (Mo(4+)) with vanadium (V(3+)) or iron (Fe(3+)) in the cofactor have been investigated. The size of the cofactor cluster shows a dependency on the nature of the heterometal and increases in the order FeMoco < FeVco < FeFeco.

  14. MO-F-CAMPUS-J-02: Automatic Recognition of Patient Treatment Site in Portal Images Using Machine Learning

    International Nuclear Information System (INIS)

    Chang, X; Yang, D

    2015-01-01

    Purpose: To investigate the method to automatically recognize the treatment site in the X-Ray portal images. It could be useful to detect potential treatment errors, and to provide guidance to sequential tasks, e.g. automatically verify the patient daily setup. Methods: The portal images were exported from MOSAIQ as DICOM files, and were 1) processed with a threshold based intensity transformation algorithm to enhance contrast, and 2) where then down-sampled (from 1024×768 to 128×96) by using bi-cubic interpolation algorithm. An appearance-based vector space model (VSM) was used to rearrange the images into vectors. A principal component analysis (PCA) method was used to reduce the vector dimensions. A multi-class support vector machine (SVM), with radial basis function kernel, was used to build the treatment site recognition models. These models were then used to recognize the treatment sites in the portal image. Portal images of 120 patients were included in the study. The images were selected to cover six treatment sites: brain, head and neck, breast, lung, abdomen and pelvis. Each site had images of the twenty patients. Cross-validation experiments were performed to evaluate the performance. Results: MATLAB image processing Toolbox and scikit-learn (a machine learning library in python) were used to implement the proposed method. The average accuracies using the AP and RT images separately were 95% and 94% respectively. The average accuracy using AP and RT images together was 98%. Computation time was ∼0.16 seconds per patient with AP or RT image, ∼0.33 seconds per patient with both of AP and RT images. Conclusion: The proposed method of treatment site recognition is efficient and accurate. It is not sensitive to the differences of image intensity, size and positions of patients in the portal images. It could be useful for the patient safety assurance. The work was partially supported by a research grant from Varian Medical System

  15. MO-F-CAMPUS-J-02: Automatic Recognition of Patient Treatment Site in Portal Images Using Machine Learning

    Energy Technology Data Exchange (ETDEWEB)

    Chang, X; Yang, D [Washington University in St Louis, St Louis, MO (United States)

    2015-06-15

    Purpose: To investigate the method to automatically recognize the treatment site in the X-Ray portal images. It could be useful to detect potential treatment errors, and to provide guidance to sequential tasks, e.g. automatically verify the patient daily setup. Methods: The portal images were exported from MOSAIQ as DICOM files, and were 1) processed with a threshold based intensity transformation algorithm to enhance contrast, and 2) where then down-sampled (from 1024×768 to 128×96) by using bi-cubic interpolation algorithm. An appearance-based vector space model (VSM) was used to rearrange the images into vectors. A principal component analysis (PCA) method was used to reduce the vector dimensions. A multi-class support vector machine (SVM), with radial basis function kernel, was used to build the treatment site recognition models. These models were then used to recognize the treatment sites in the portal image. Portal images of 120 patients were included in the study. The images were selected to cover six treatment sites: brain, head and neck, breast, lung, abdomen and pelvis. Each site had images of the twenty patients. Cross-validation experiments were performed to evaluate the performance. Results: MATLAB image processing Toolbox and scikit-learn (a machine learning library in python) were used to implement the proposed method. The average accuracies using the AP and RT images separately were 95% and 94% respectively. The average accuracy using AP and RT images together was 98%. Computation time was ∼0.16 seconds per patient with AP or RT image, ∼0.33 seconds per patient with both of AP and RT images. Conclusion: The proposed method of treatment site recognition is efficient and accurate. It is not sensitive to the differences of image intensity, size and positions of patients in the portal images. It could be useful for the patient safety assurance. The work was partially supported by a research grant from Varian Medical System.

  16. Defining the origins of electron transfer at screen-printed graphene-like and graphite electrodes: MoO2 nanowire fabrication on edge plane sites reveals electrochemical insights.

    Science.gov (United States)

    Rowley-Neale, Samuel J; Brownson, Dale A C; Banks, Craig E

    2016-08-18

    Molybdenum (di)oxide (MoO2) nanowires are fabricated onto graphene-like and graphite screen-printed electrodes (SPEs) for the first time, revealing crucial insights into the electrochemical properties of carbon/graphitic based materials. Distinctive patterns observed in the electrochemical process of nanowire decoration show that electron transfer occurs predominantly on edge plane sites when utilising SPEs fabricated/comprised of graphitic materials. Nanowire fabrication along the edge plane sites (and on edge plane like-sites/defects) of graphene/graphite is confirmed with Cyclic Voltammetry, Scanning Electron Microscopy (SEM) and Raman Spectroscopy. Comparison of the heterogeneous electron transfer (HET) rate constants (k°) at unmodified and nanowire coated SPEs show a reduction in the electrochemical reactivity of SPEs when the edge plane sites are effectively blocked/coated with MoO2. Throughout the process, the basal plane sites of the graphene/graphite electrodes remain relatively uncovered; except when the available edge plane sites have been utilised, in which case MoO2 deposition grows from the edge sites covering the entire surface of the electrode. This work clearly illustrates the distinct electron transfer properties of edge and basal plane sites on graphitic materials, indicating favourable electrochemical reactivity at the edge planes in contrast to limited reactivity at the basal plane sites. In addition to providing fundamental insights into the electron transfer properties of graphite and graphene-like SPEs, the reported simple, scalable, and cost effective formation of unique and intriguing MoO2 nanowires realised herein is of significant interest for use in both academic and commercial applications.

  17. A cluster DFT study of NH{sub 3} and NO adsorption on the (MoO{sub 2}){sup 2+}/HZSM-5 surface: Lewis versus Brønsted acid sites

    Energy Technology Data Exchange (ETDEWEB)

    Yan, Zhifeng [College of Chemistry and Chemical Engineering, Taiyuan University of Technology, Taiyuan 030024, Shanxi (China); College of Material Science and Engineering, Taiyuan University of Technology, Taiyuan 030024, Shanxi (China); Zuo, Zhijun [Key Laboratory of Coal Science and Technology of Ministry of Education and Shanxi Province, Taiyuan University of Technology, Taiyuan 030024, Shanxi (China); Li, Zhe, E-mail: lizhe@tyut.edu.cn [College of Chemistry and Chemical Engineering, Taiyuan University of Technology, Taiyuan 030024, Shanxi (China); Zhang, Jinshan [College of Material Science and Engineering, Taiyuan University of Technology, Taiyuan 030024, Shanxi (China)

    2014-12-01

    Graphical abstract: - Highlights: • NH{sub 3} adsorption is found to be more favorable energetically than NO adsorption on both Lewis and Brønsted acid sites. • Lewis and Brønsted acid sites are competitive energetically for NH{sub 3} adsorption. • Reduced-state Mo{sup 5+} is suggested to play a key role in adsorption and activation of NO{sub x} together with the adsorbed NH{sub 4}{sup +}. - Abstract: A systematic DFT study was carried out to investigate NH{sub 3} and NO adsorption on both Lewis and Brønsted acid sites of (MoO{sub 2}){sup 2+}/HZSM-5 catalyst by using cluster models. The adsorption energy results indicate that NH{sub 3} could strongly adsorb on both Lewis and Brønsted acid sites in the form of coordinated NH{sub 3} and NH{sub 4}{sup +}, respectively, whereas NO represents poorer adsorption ability. It is also found that Lewis and Brønsted acid sites are competitive energetically for NH{sub 3} adsorption. According to the difference in the proposed mechanisms for NH{sub 3} adsorption on different acid sites, particular attention has been focused on the first dissociation of coordinated NH{sub 3} for Lewis acid site and the effect of Mo site on the introduction of NO for Brønsted acid site. For the coordinated NH{sub 3} on Lewis acid site, the more electron donation from NH{sub 3} is, the greater its adsorption stability is and the higher active its H atoms are. In addition, DOS results show that stability of the H atoms is enhanced by interacting with framework oxygen and especially the H atoms chemical-bonded with framework oxygen. For the NH{sub 4}{sup +} on Brønsted acid site, reduced-state Mo{sup 5+} holds stronger reducibility and oxidizability than terminal oxygen, which is suggested to play a key role in adsorption and activation of NO{sub x} together with the adsorbed NH{sub 4}{sup +}.

  18. Edge termination of MoS2 and CoMoS catalyst particles

    DEFF Research Database (Denmark)

    Byskov, Line Sjolte; Nørskov, Jens Kehlet; Clausen, B. S.

    2000-01-01

    The edge termination of MoS2 and CoMoS catalyst particles is studied by density functional calculations. We show that for structures without vacancies Mo-terminated edges have the lowest edge energies. Creation of vacancies, which are believed to be active sites in these catalyst systems, leads...

  19. Microstructural defects modeling in the Al-Mo system

    International Nuclear Information System (INIS)

    Pascuet, Maria I.; Fernandez, Julian R.; Monti, Ana M.

    2006-01-01

    In this work we have utilized computer simulation techniques to study microstructural defects, such as point defects and interfaces, in the Al-Mo alloy. Such alloy is taken as a model to study the Al(fcc)/U-Mo(bcc) interface. The EAM interatomic potential used has been fitted to the formation energy and lattice constant of the AlMo 3 intermetallic. Formation of vacancies for both components Al and Mo and anti-sites, Al Mo and Mo Al , as well as vacancy migration was studied in this structure. We found that the lowest energy defect complex that preserves stoichiometry is the antisite pair Al Mo +Mo Al , in correspondence with other intermetallics of the same structure. Our results also suggest that the structure of the Al(fcc)/Mo(bcc) interface is unstable, while that of the Al(fcc)/Al 5 Mo interface is stable, as observed experimentally. (author) [es

  20. Microwave effects on NiMoS and CoMoS single-sheet catalysts.

    Science.gov (United States)

    Borges, I; Silva, Alexander M; Modesto-Costa, Lucas

    2018-05-04

    Single-sheet nanoclusters of MoS 2 , NiMoS or CoMoS are widely used in hydrodesulfurization (HDS) catalysis in the petroleum industry. In HDS reactions under microwave irradiation, experiments indirectly pointed out that for pristine MoS 2 reaction rates are accelerated because hot spots are generated on the catalyst bed. In this work, we investigated NiMoS and CoMoS isolated single-sheet substituted catalysts before and after thiophene adsorption focusing on quantifying the effect of microwave irradiation. For that purpose, density functional theory (DFT) molecular charge densities of each system were decomposed according to the distributed multipole analysis (DMA) of Stone. Site dipole values of each system were directly associated with a larger or smaller interaction with the microwave field according to a proposed general approach. We showed that microwave enhancement of HDS reaction rates can occur more efficiently in the CoMoS and NiMoS promoted clusters compared to pristine MoS 2 in the following order: CoMoS > NiMoS > MoS 2 . The atomic origin of the catalyst hot spots induced by microwaves was clearly established in the promoted clusters.

  1. Consensus structures of the Mo(v) sites of sulfite-oxidizing enzymes derived from variable frequency pulsed EPR spectroscopy, isotopic labelling and DFT calculations.

    Science.gov (United States)

    Enemark, John H

    2017-10-10

    Sulfite-oxidizing enzymes from eukaryotes and prokaryotes have five-coordinate distorted square-pyramidal coordination about the molybdenum atom. The paramagnetic Mo(v) state is easily generated, and over the years four distinct CW EPR spectra have been identified, depending upon enzyme source and the reaction conditions, namely high and low pH (hpH and lpH), phosphate inhibited (P i ) and sulfite (or blocked). Extensive studies of these paramagnetic forms of sulfite-oxidizing enzymes using variable frequency pulsed electron spin echo (ESE) spectroscopy, isotopic labeling and density functional theory (DFT) calculations have led to the consensus structures that are described here. Errors in some of the previously proposed structures are corrected.

  2. Stacking change in MoS2 bilayers induced by interstitial Mo impurities.

    Science.gov (United States)

    Cortés, Natalia; Rosales, Luis; Orellana, Pedro A; Ayuela, Andrés; González, Jhon W

    2018-02-01

    We use a theoretical approach to reveal the electronic and structural properties of molybdenum impurities between MoS 2 bilayers. We find that interstitial Mo impurities are able to reverse the well-known stability order of the pristine bilayer, because the most stable form of stacking changes from AA' (undoped) into AB' (doped). The occurrence of Mo impurities in different positions shows their split electronic levels in the energy gap, following octahedral and tetrahedral crystal fields. The energy stability is related to the accommodation of Mo impurities compacted in hollow sites between layers. Other less stable configurations for Mo dopants have larger interlayer distances and band gaps than those for the most stable stacking. Our findings suggest possible applications such as exciton trapping in layers around impurities, and the control of bilayer stacking by Mo impurities in the growth process.

  3. MO-F-CAMPUS-T-04: Implementation of a Standardized Monthly Quality Check for Linac Output Management in a Large Multi-Site Clinic

    Energy Technology Data Exchange (ETDEWEB)

    Xu, H; Yi, B; Prado, K [Univ. of Maryland School Of Medicine, Baltimore, MD (United States)

    2015-06-15

    Purpose: This work is to investigate the feasibility of a standardized monthly quality check (QC) of LINAC output determination in a multi-site, multi-LINAC institution. The QC was developed to determine individual LINAC output using the same optimized measurement setup and a constant calibration factor for all machines across the institution. Methods: The QA data over 4 years of 7 Varian machines over four sites, were analyzed. The monthly output constancy checks were performed using a fixed source-to-chamber-distance (SCD), with no couch position adjustment throughout the measurement cycle for all the photon energies: 6 and 18MV, and electron energies: 6, 9, 12, 16 and 20 MeV. The constant monthly output calibration factor (Nconst) was determined by averaging the machines’ output data, acquired with the same monthly ion chamber. If a different monthly ion chamber was used, Nconst was then re-normalized to consider its different NDW,Co-60. Here, the possible changes of Nconst over 4 years have been tracked, and the precision of output results based on this standardized monthly QA program relative to the TG-51 calibration for each machine was calculated. Any outlier of the group was investigated. Results: The possible changes of Nconst varied between 0–0.9% over 4 years. The normalization of absorbed-dose-to-water calibration factors corrects for up to 3.3% variations of different monthly QA chambers. The LINAC output precision based on this standardized monthly QC relative to the TG-51 output calibration is within 1% for 6MV photon energy and 2% for 18MV and all the electron energies. A human error in one TG-51 report was found through a close scrutiny of outlier data. Conclusion: This standardized QC allows for a reasonably simplified, precise and robust monthly LINAC output constancy check, with the increased sensitivity needed to detect possible human errors and machine problems.

  4. Three-Dimensional Heterostructures of MoS 2 Nanosheets on Conducting MoO 2 as an Efficient Electrocatalyst To Enhance Hydrogen Evolution Reaction

    KAUST Repository

    Nikam, Revannath Dnyandeo

    2015-10-05

    Molybdenum disulfide (MoS) is a promising catalyst for hydrogen evolution reaction (HER) because of its unique nature to supply active sites in the reaction. However, the low density of active sites and their poor electrical conductivity have limited the performance of MoS in HER. In this work, we synthesized MoS nanosheets on three-dimensional (3D) conductive MoO via a two-step chemical vapor deposition (CVD) reaction. The 3D MoO structure can create structural disorders in MoS nanosheets (referred to as 3D MoS/MoO), which are responsible for providing the superior HER activity by exposing tremendous active sites of terminal disulfur of S2 (in MoS) as well as the backbone conductive oxide layer (of MoO) to facilitate an interfacial charge transport for the proton reduction. In addition, the MoS nanosheets could protect the inner MoO core from the acidic electrolyte in the HER. The high activity of the as-synthesized 3D MoS/MoO hybrid material in HER is attributed to the small onset overpotential of 142 mV, a largest cathodic current density of 85 mA cm, a low Tafel slope of 35.6 mV dec, and robust electrochemical durability.

  5. Three-Dimensional Heterostructures of MoS 2 Nanosheets on Conducting MoO 2 as an Efficient Electrocatalyst To Enhance Hydrogen Evolution Reaction

    KAUST Repository

    Nikam, Revannath Dnyandeo; Lu, Ang-Yu; Sonawane, Poonam Ashok; Kumar, U. Rajesh; Yadav, Kanchan; Li, Lain-Jong; Chen, Yit Tsong

    2015-01-01

    Molybdenum disulfide (MoS) is a promising catalyst for hydrogen evolution reaction (HER) because of its unique nature to supply active sites in the reaction. However, the low density of active sites and their poor electrical conductivity have limited the performance of MoS in HER. In this work, we synthesized MoS nanosheets on three-dimensional (3D) conductive MoO via a two-step chemical vapor deposition (CVD) reaction. The 3D MoO structure can create structural disorders in MoS nanosheets (referred to as 3D MoS/MoO), which are responsible for providing the superior HER activity by exposing tremendous active sites of terminal disulfur of S2 (in MoS) as well as the backbone conductive oxide layer (of MoO) to facilitate an interfacial charge transport for the proton reduction. In addition, the MoS nanosheets could protect the inner MoO core from the acidic electrolyte in the HER. The high activity of the as-synthesized 3D MoS/MoO hybrid material in HER is attributed to the small onset overpotential of 142 mV, a largest cathodic current density of 85 mA cm, a low Tafel slope of 35.6 mV dec, and robust electrochemical durability.

  6. Highly Enhanced Gas Adsorption Properties in Vertically Aligned MoS2 Layers.

    Science.gov (United States)

    Cho, Soo-Yeon; Kim, Seon Joon; Lee, Youhan; Kim, Jong-Seon; Jung, Woo-Bin; Yoo, Hae-Wook; Kim, Jihan; Jung, Hee-Tae

    2015-09-22

    In this work, we demonstrate that gas adsorption is significantly higher in edge sites of vertically aligned MoS2 compared to that of the conventional basal plane exposed MoS2 films. To compare the effect of the alignment of MoS2 on the gas adsorption properties, we synthesized three distinct MoS2 films with different alignment directions ((1) horizontally aligned MoS2 (basal plane exposed), (2) mixture of horizontally aligned MoS2 and vertically aligned layers (basal and edge exposed), and (3) vertically aligned MoS2 (edge exposed)) by using rapid sulfurization method of CVD process. Vertically aligned MoS2 film shows about 5-fold enhanced sensitivity to NO2 gas molecules compared to horizontally aligned MoS2 film. Vertically aligned MoS2 has superior resistance variation compared to horizontally aligned MoS2 even with same surface area exposed to identical concentration of gas molecules. We found that electrical response to target gas molecules correlates directly with the density of the exposed edge sites of MoS2 due to high adsorption of gas molecules onto edge sites of vertically aligned MoS2. Density functional theory (DFT) calculations corroborate the experimental results as stronger NO2 binding energies are computed for multiple configurations near the edge sites of MoS2, which verifies that electrical response to target gas molecules (NO2) correlates directly with the density of the exposed edge sites of MoS2 due to high adsorption of gas molecules onto edge sites of vertically aligned MoS2. We believe that this observation extends to other 2D TMD materials as well as MoS2 and can be applied to significantly enhance the gas sensor performance in these materials.

  7. High performance Mo adsorbent PZC

    Energy Technology Data Exchange (ETDEWEB)

    Anon,

    1998-10-01

    We have developed Mo adsorbents for natural Mo(n, {gamma}){sup 99}Mo-{sup 99m}Tc generator. Among them, we called the highest performance adsorbent PZC that could adsorb about 250 mg-Mo/g. In this report, we will show the structure, adsorption mechanism of Mo, and the other useful properties of PZC when you carry out the examination of Mo adsorption and elution of {sup 99m}Tc. (author)

  8. Decay of 99Mo

    International Nuclear Information System (INIS)

    Dickens, J.K.; Love, T.A.

    1976-01-01

    Relative intensities for K x-rays and gamma rays emanating from 99 Mo in equilibrium with its 99 Tc* daughter have been measured using several Ge photon detectors. Combining these intensities with an evaluated set of electron-conversion coefficients has provided a set of absolute intensities for the observed gamma rays. The absolute intensity for the dominant 140.5-keV gamma ray in 99 Tc was determined to be 90.7 +- 0.6/100 99 Mo disintegrations for 99 Mo decay in equilibrium with decay of the 99 Tc* daughter

  9. MoEDAL expands

    CERN Multimedia

    Anaïs Schaeffer

    2011-01-01

    The MoEDAL collaboration deployed a test array of 18 plastic Nuclear Track Etch Detector (NTD) stacks – covering an area of 1 m2 – in the MoEDAL/VELO cavern at Point 8 of the LHC ring in November 2009. This small array was supplemented by a further 110 stacks this past January. The MoEDAL test array, which now covers an area of 8 m2, will reveal its secrets early in 2013. The full MoEDAL detector will be installed in the next long shutdown of the LHC in 2013.   View of the MoEDAL detectors installed at Point 8 of the LHC ring in January 2011. MoEDAL (Monopole and Exotics Detector At the LHC), the seventh LHC experiment, was approved by the CERN Research Board at the end of 2009. Its goal is to search for very specific exotics such as highly ionising massive stable (or pseudo-stable) particles with conventional electrical charge and magnetic monopoles. “The main LHC experiments are designed to detect conventionally charged particles, with conventional ionisation patte...

  10. 99Mo production by 100Mo(n,2n)99Mo using accelerator neutrons

    International Nuclear Information System (INIS)

    Sato, Nozomi; Kawabata, Masako; Nagai, Yasuki; Hashimoto, Kazuyuki; Hatsukawa, Yuichi; Saeki, Hideya; Motoishi, Shoji; Kin, Tadahiro; Konno, Chikara; Ochiai, Kentaro; Takakura, Kosuke; Minato, Futoshi; Iwamoto, Osamu; Iwamoto, Nobuyuki; Hashimoto, Shintaro

    2013-01-01

    We proposed a new route to produce a medical radioisotope 99 Mo by the 100 Mo(n,2n) 99 Mo reaction using accelerator neutrons. A high-quality 99 Mo with a minimum level of radioactive waste can be obtained by the proposed reaction. The decay product of 99 Mo, 99m Tc, is separated from 99 Mo by the sublimation method. The proposed route could bring a major breakthrough in the solution of ensuring a constant and reliable supply of 99 Mo. (author)

  11. An ab initio study of hydrotreating of thiirene and thiirane on MoS 3 ...

    African Journals Online (AJOL)

    The catalytic site used is based on molybdenum disulfide (MoS2), which is considered ... Two steps characterise the desulfurization process: the adsorption and the ... catalytic site and molecules obtained in previous works in the EHT method.

  12. RoMo

    DEFF Research Database (Denmark)

    Pedersen, Esben Warming; Hornbæk, Kasper

    2011-01-01

    In TUIs, physical/digital conflicts can occur when the digital model does not match the model implied by the spatial lay- out of tangibles. We show how tangible tabletop interfaces (TTI) can be modified to allow robot movement of tangi- bles, thereby avoiding conflicts. We present RoMo, an open...... source Java library that allow existing TTI applications to perform robot movement, and demonstrate its functionality with three applications....

  13. Diffusion barrier performances of thin Mo, Mo-N and Mo/Mo-N films between Cu and Si

    International Nuclear Information System (INIS)

    Song Shuangxi; Liu Yuzhang; Mao Dali; Ling Huiqin; Li Ming

    2005-01-01

    In this work, we have studied the diffusion barrier performances of Mo, Mo-N and Mo/Mo-N metallization layers deposited by sputtering Mo in Ar/N 2 atmospheres, respectively. Samples were subsequently annealed at different temperatures ranging from 400 to 800 deg C in vacuum condition. The film properties and their suitability as diffusion barriers and protective coatings in silicon devices were characterized using four-point probe measurement, X-ray diffractometry, scanning electron microscopy, Auger electron spectroscopy and transmission electron microscopy analyses. Experimental results revealed that the Mo (20 nm)/Mo-N (30 nm) layer was able to prevent the diffusion reaction between Cu and Si substrate after being annealed at 600 deg C for 30 min. The adhesion between layers and the content of N atoms are the key parameters to improve the properties of Mo-based barrier materials. The Mo layer interposed between Cu and Mo-N diluted the high nitrogen concentration of the barrier and so enhanced the barrier performances

  14. A novel three dimensional semimetallic MoS{sub 2}

    Energy Technology Data Exchange (ETDEWEB)

    Tang, Zhen-Kun [Beijing Computational Science Research Center, Beijing 100084 (China); Departments of Physics and Electronics, Hengyang Normal University, Hengyang 421008 (China); Zhang, Hui; Liu, Li-Min, E-mail: limin.liu@csrc.ac.cn [Beijing Computational Science Research Center, Beijing 100084 (China); Liu, Hao [Chengdu Green Energy and Green Manufacturing Technology R and D Center, Chengdu, Sichuan 610207 (China); Lau, Woon-Ming [Beijing Computational Science Research Center, Beijing 100084 (China); Chengdu Green Energy and Green Manufacturing Technology R and D Center, Chengdu, Sichuan 610207 (China)

    2014-05-28

    Transition metal dichalcogenides (TMDs) have many potential applications, while the performances of TMDs are generally limited by the less surface active sites and the poor electron transport efficiency. Here, a novel three-dimensional (3D) structure of molybdenum disulfide (MoS{sub 2}) with larger surface area was proposed based on first-principle calculations. 3D layered MoS{sub 2} structure contains the basal surface and joint zone between the different nanoribbons, which is thermodynamically stable at room temperature, as confirmed by first principles molecular dynamics calculations. Compared the two-dimensional layered structures, the 3D MoS{sub 2} not only owns the large surface areas but also can effectively avoid the aggregation. Interestingly, although the basal surface remains the property of the intrinsic semiconductor as the bulk MoS{sub 2}, the joint zone of 3D MoS{sub 2} exhibits semimetallic, which is derived from degenerate 3d orbitals of the Mo atoms. The high stability, large surface area, and high conductivity make 3D MoS{sub 2} have great potentials as high performance catalyst.

  15. Correlation between lateral size and gas sensing performance of MoSe2 nanosheets

    Science.gov (United States)

    Zhang, Shaolin; Nguyen, Thuy Hang; Zhang, Weibin; Park, Youngsin; Yang, Woochul

    2017-10-01

    We demonstrate a facile synthetic method to prepare lateral size controlled molybdenum diselenide (MoSe2) nanosheets using liquid phase exfoliated few-layer MoSe2 nanosheets as a starting material. By precisely controlling the centrifugation condition, preparation of MoSe2 nanosheets with a narrow size distribution ranging from several hundred nanometers to several micrometers could be realized. The accurate size control of MoSe2 nanosheets offers us a great opportunity to examine the size dependent sensing properties. The sensing test results demonstrate that the MoSe2 nanosheets provide competitive advantages compared with conventional graphene based sensors. A tradeoff phenomenon on sensing response and recovery as the lateral size of MoSe2 nanosheets varies is observed. First principles calculations reveal that the ratio of edge-surface sites is responsible for this phenomenon. The correlation between the lateral size and gas sensing performance of MoSe2 nanosheets is established.

  16. Electronic structure description of the cis-MoOS unit in models for molybdenum hydroxylases.

    Science.gov (United States)

    Doonan, Christian J; Rubie, Nick D; Peariso, Katrina; Harris, Hugh H; Knottenbelt, Sushilla Z; George, Graham N; Young, Charles G; Kirk, Martin L

    2008-01-09

    The molybdenum hydroxylases catalyze the oxidation of numerous aromatic heterocycles and simple organics and, unlike other hydroxylases, utilize water as the source of oxygen incorporated into the product. The electronic structures of the cis-MoOS units in CoCp2[TpiPrMoVOS(OPh)] and TpiPrMoVIOS(OPh) (TpiPr = hydrotris(3-isopropylpyrazol-1-yl)borate), new models for molybdenum hydroxylases, have been studied in detail using S K-edge X-ray absorption spectroscopy, vibrational spectroscopy, and detailed bonding calculations. The results show a highly delocalized Mo=S pi* LUMO redox orbital that is formally Mo(dxy) with approximately 35% sulfido ligand character. Vibrational spectroscopy has been used to quantitate Mo-Ssulfido bond order changes in the cis-MoOS units as a function of redox state. Results support a redox active molecular orbital that has a profound influence on MoOS bonding through changes to the relative electro/nucleophilicity of the terminal sulfido ligand accompanying oxidation state changes. The bonding description for these model cis-MoOS systems supports enzyme mechanisms that are under orbital control and dominantly influenced by the unique electronic structure of the cis-MoOS site. The electronic structure of the oxidized enzyme site is postulated to play a role in polarizing a substrate carbon center for nucleophilic attack by metal activated water and acting as an electron sink in the two-electron oxidation of substrates.

  17. NMR and XAS Study of Fe-Mo Double Perovskites

    International Nuclear Information System (INIS)

    Zajac, D.A.; Kapusta, C.; Borowiec, M.; Sikora, M.; Marquina, C.; Blasco, J.; Ibarra, M.R.

    2005-01-01

    The results of NMR and XAS measurements of the A 2 FeMoO 6 double perovskites (DP) (A 2 =Sr 2 , SrBa, Ba 2 , Ca 2 ) at the Fe and Mo K edges are reported and the information on the individual site electronic and magnetic properties is analysed. The compounds studied belong to the family of materials exhibiting a high field '' colossal '' magnetoresistance as well as a low field '' giant '' magnetoresistance. Magnetoresistive properties of the compounds arise from their half-metallicity, i.e. only one spin direction being populated in the conduction band, which consists of overlapping spin down 3d Fe, 2p O and 4d Mo electron bands. Within the model, a spin-down electron undergoes a fast hopping through unoccupied oxygen 2p orbitals between Fe 3+ (3d 5 - spin up) and Mo 6+ (4d 0 ) ionic cores. This mechanism implicates an anti-parallel coupling of the Fe and Mo spins and leads to non-integer magnetic moments and a metallic character below TC. The interaction, in analogy with the '' double exchange '' (DE) in manganites, is called '' double exchange-like '' interaction. The superexchange interaction (SE) is also expected to be present, resulting also in an anti-parallel coupling of 3d Fe 3+ and 4d Mo 5+ spins through occupied oxygen 2p orbitals. The insulating character of SE is connected with an increase of the tilt angle of the Fe-O-Mo bond, which is related to a change of the structural tolerance factor f and results in structural distortions. The molybdenum NMR measurements revealed the existence of a non-integer magnetic moment at Mo and Fe, which can be attributed to the DE-like interaction. However, experiments using Moessbauer spectroscopy have shown the existence of two Fe ionisation states - with integer (SE) and non integer (DE) magnetic moments. The 95 Mo and 97 Mo NMR measurements on A 2 FeMoO 6 (A 2 =Sr 2 , SrBa, Ba 2 , Ca 2 ) presented in this work show different values of the Mo hyperfine field and the corresponding magnetic moment. This is attributed

  18. MoMoSat -- Mobile Service for Monitoring with GeoNotes via Satellite

    Energy Technology Data Exchange (ETDEWEB)

    Niemeyer, Irmgard [Forschungszentrum Juelich (Germany). Programme Group Systems Analysis and Technology Evaluation (STE); Jonas, Karl [Univ. of Applied Science Bonn-Rhein-Sieg, Sankt Augustin (Germany). FhG FOKUS CC SATCom; Horz, Alexander [horz informatik, Sankt Augustin (Germany); Wettschereck, Dietrich; Schmidt, Dirk [DIALOGIS GmbH, Bonn (Germany)

    2003-05-01

    protection. The GeoNotes can be extended by measurements taken on a site, photos, videos or voice messages. All modifications or extension of GeoNotes made on site are transferred to the home server via the base station in real time. This ensures that no data is lost and that the users on site cannot be tempted or forced to filter data before it is transferred. In conclusion, MoMoSat offers an innovative service of a secure collaboration in the field by a map-based information system. Regarding nuclear safeguards, MoMoSat may be used by the Member States for strategic reasons (controlling, coordination) and for documentation and monitoring purposes. Possible scenarios for the future are inspections at declared and undeclared nuclear facilities.

  19. Fission 99Mo production technology

    International Nuclear Information System (INIS)

    Miao Zengxing; Luo Zhifu; Ma Huimin; Liang Yufu; Yu Ningwen

    2003-01-01

    This paper describes a production technology of fission 99 Mo in the Department Isotope, CIAE. The irradiation target is tubular U-Al alloy containing highly enriched uranium. The target is irradiated in the swimming pool reactor core. The neutron flux is about 4x10 13 /cm 2 .sec. The production scale is 3.7-7.4 TBq (100-200Ci) of fission 99 Mo per batch. Total recovery of 99 Mo is more than 70%. The production practice proves that the process and equipment are safe and reliable. (author)

  20. Water Data Analysis 393937093090901 TURKEY CREEK NR SUMNER MO, FULBRIGHT RD NEAR SWAN LAKE NWR-2013-2016

    Data.gov (United States)

    Department of the Interior — WATER MONITORING STATION ANALYSIS – CALENDAR YEAR 2013 to 2016 SITE NUMBER: 393937093090901 SITE NAME: Turkey Creek nr Sumner MO, Fulbright Rd COOPERATION: Swan Lake...

  1. Supporting data for senary refractory high-entropy alloy CrxMoNbTaVW

    Directory of Open Access Journals (Sweden)

    B. Zhang

    2015-12-01

    Full Text Available This data article is related to the research paper entitled “senary refractory high-entropy alloy CrxMoNbTaVW [1]”. In this data article, the pseudo-binary Cr-MoNbTaVW phase diagram is presented to show the impact of Cr content to the senary Cr-MoNbTaVW alloy system; the sub-lattice site fractions are presented to show the disordered property of the Cr-MoNbTaVW BCC structures; the equilibrium and Scheil solidification results with the actual sample elemental compositions are presented to show the thermodynamic information of the melted/solidified CrxMoNbTaVW samples; and the raw EDS scan data of the arc-melted CrxMoNbTaVW samples are also provided.

  2. Synthesis, characterization and photocatalytic performance of chemically exfoliated MoS2

    Science.gov (United States)

    Prabhakar Vattikuti, S. V.; Shim, Jaesool

    2018-03-01

    Two-dimensional (2D) layered structure transition metal dichalcogenides (TMDs) has gained huge attention and importance for photocatalytic energy conversion because of their unique properties. Molybdenum disulfide (MoS2) nanosheets were synthesized via one-pot method and exfoliated in (dimethylformamide) DMF solution. Subsequent exfoliated MoS2 nanosheets (e-MoS2) were used as photocatalysts for degradation of Rhodamine B (RhB) pollutant under solar light irradiation. The e-MoS2 nanosheets exhibited excellent photocatalytic activity than that of pristine MoS2, owing to high specific surface area with enormous active sites and light absorption capacity. In addition, e-MoS2 demonstrated remarkable photocatalytic stability.

  3. Relevance of the Mo-precursor state in H-ZSM-5 for methane dehydroaromatization

    KAUST Repository

    Vollmer, Ina

    2018-01-04

    Although the local geometry of Mo in Mo/HZSM-5 has been characterized before, we present a systematic way to manipulate the configuration of Mo and link it to its catalytic properties. The location and geometry of cationic Mo-complexes, the precursor of the active metal site for methane dehydroaromatization, are altered by directing the way they anchor to the framework of the zeolite. The feature used to direct the anchoring of Mo is the location of Al in the zeolite framework. According to DFT calculations, the local geometry of Mo should change, while UV-vis and pyridine FTIR spectroscopy indicated differences in the dispersion of Mo. Both aspects, however, did not influence the catalytic behavior of Mo/HZSM-5, indicating that as long as enough isolated Mo species are present inside the pores of the zeolite, the catalytic behavior is unaffected. This paves the way to better understand how the Mo oxo precursor transforms into the active phase under the reaction conditions.

  4. Relevance of the Mo-precursor state in H-ZSM-5 for methane dehydroaromatization

    KAUST Repository

    Vollmer, Ina; Li, Guanna; Yarulina, Irina; Kosinov, Nikolay; Hensen, Emiel J.; Houben, Klaartje; Mance, Deni; Baldus, Marc; Gascon, Jorge; Kapteijn, Freek

    2018-01-01

    Although the local geometry of Mo in Mo/HZSM-5 has been characterized before, we present a systematic way to manipulate the configuration of Mo and link it to its catalytic properties. The location and geometry of cationic Mo-complexes, the precursor of the active metal site for methane dehydroaromatization, are altered by directing the way they anchor to the framework of the zeolite. The feature used to direct the anchoring of Mo is the location of Al in the zeolite framework. According to DFT calculations, the local geometry of Mo should change, while UV-vis and pyridine FTIR spectroscopy indicated differences in the dispersion of Mo. Both aspects, however, did not influence the catalytic behavior of Mo/HZSM-5, indicating that as long as enough isolated Mo species are present inside the pores of the zeolite, the catalytic behavior is unaffected. This paves the way to better understand how the Mo oxo precursor transforms into the active phase under the reaction conditions.

  5. Effects of the defects on the structural, electronic and magnetic properties of Sr{sub 2}FeMoO{sub 6}

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Yan, E-mail: yan.zhang@chd.edu.cn [School of Materials Science and Engineering, Chang' an University, Xi' an 710061, Shaanxi (China); Ji, Vincent [ICMMO/SP2M, UMR CNRS 8182, Université Paris-Sud, 91405 Orsay Cédex (France); Xu, Ke-Wei [State Key Laboratory for Mechanical Behavior of Materials, Xi' an Jiaotong University, Xi' an 710049, Shaanxi (China)

    2015-11-05

    From the point of view of the half-metallic character and magnetization reduction, the structural, electronic and magnetic properties of the imperfect Sr{sub 2}FeMoO{sub 6} compound containing seven different defects of the Fe{sub Mo} or Mo{sub Fe} antisites, Fe–Mo interchange, V{sub Fe}, V{sub Mo}, V{sub O} or V{sub Sr} vacancies have been studied by using first-principles projector augmented wave (PAW) within generalized gradient approximation (GGA) as well as taking into account on-site Coulomb repulsive interaction (GGA + U). No obvious structural changes are observed for the imperfect Sr{sub 2}FeMoO{sub 6} compound containing Fe{sub Mo} or Mo{sub Fe} antisites, Fe–Mo interchange or V{sub Sr} vacancy defects. However, the six (eight) nearest oxygen neighbors of the vacancy move away from (close to) V{sub Fe} or V{sub Mo} (V{sub O}) vacancies. The half-metallic character is maintained for the imperfect Sr{sub 2}FeMoO{sub 6} compound containing Fe{sub Mo} antisite, V{sub Fe}, V{sub O} or V{sub Sr} vacancies, while it vanishes when Mo{sub Fe} antisite, Fe–Mo interchange or V{sub Mo} vacancy are presented. So the Mo{sub Fe} antisite, Fe–Mo interchange or V{sub Mo} vacancy defects have to be avoided in order to preserve the half-metallic character of the Sr{sub 2}FeMoO{sub 6} compound and thus usable in spintronics devices. In Fe{sub Mo} or Mo{sub Fe} antisites, Fe–Mo interchange cases, the spin moments of Fe (Mo) cations situated on Mo (Fe) antisites are in an antiferromagnetic coupling with those of Fe (Mo) cations on the regular sites. In V{sub Fe}, V{sub Mo}, V{sub O} or V{sub Sr} vacancies cases, a ferromagnetic coupling is obtained within each cation sublattice, while two cation sublattices are coupled antiferromagnetically. The total magnetic moments μ{sub tot} (μ{sub B}/f.u.) of the imperfect Sr{sub 2}FeMoO{sub 6} compound containing seven different defects decrease in the sequence of V{sub Sr} vacancy (4.38), V{sub Mo} vacancy (3.92), V{sub O

  6. Preparation of MoB and MoB-MoSi2 composites by combustion synthesis in SHS mode

    International Nuclear Information System (INIS)

    Yeh, C.L.; Hsu, W.S.

    2007-01-01

    Combustion synthesis in the mode of self-propagating high-temperature synthesis (SHS) was carried out in the Mo-B and Mo-B-Si systems for the preparation of molybdenum boride MoB and the composite of MoB-MoSi 2 from elemental powder compacts. Under a preheating temperature above 150 deg. C , the reaction of Mo with boron in the sample compact of Mo:B = 1:1 is characterized by a planar combustion front propagating in a self-sustaining and steady manner. As the preheating temperature or sample compaction density increased, combustion temperature was found to increase and the propagation rate of the combustion front was correspondingly enhanced. Moreover, the XRD analysis provides evidence of yielding nearly single-phase α-MoB from the Mo-B sample at equiatomic stoichiometry. In the synthesis of MoB-MoSi 2 composites, the starting stoichiometry of the Mo-B-Si powder compact was varied so as to produce the final composites containing 20-80 mol% MoB. It was also found the increase of flame-front velocity and combustion temperature with increasing MoB content formed in the composite. The composition analysis by XRD shows excellent conversion from the Mo-B-Si powder compact to the MoB-MoSi 2 composite through the SHS reaction; that is, in addition to a small amount of Mo 5 Si 3 , the as-synthesized composite is composed entirely of MoB and MoSi 2

  7. Structural and magnetic properties correlated with cation distribution of Mo-substituted cobalt ferrite nanoparticles

    Energy Technology Data Exchange (ETDEWEB)

    Heiba, Z.K. [Faculty of Science, Taif University, P.O. Box: 888, Al-Haweiah, Taif (Saudi Arabia); Physics Department, Faculty of Science, Ain Shams University, Cairo (Egypt); Mostafa, Nasser Y., E-mail: nmost69@yahoo.com [Faculty of Science, Taif University, P.O. Box: 888, Al-Haweiah, Taif (Saudi Arabia); Chemistry Department, Faculty of Science, Suez Canal University, Ismailia 41522 (Egypt); Abd-Elkader, Omar H. [Department of Zoology, Science College, King Saud University, P.O. Box 2455, Riyadh 11451 (Saudi Arabia); Electron Microscope and Thin Films Department, National Research Center (NRC), El-Behooth Street, Dokki, Cairo 12622 (Egypt)

    2014-11-15

    Mo-substituted cobalt ferrite nanoparticles; CoFe{sub 2−2x}Mo{sub x}O{sub 4} (0.0≤x≤0.3) were prepared by a one-step solution combustion synthesis technique. The reactants were metal nitrates and glycine as a fuel. The samples were characterized using an X-ray diffraction (XRD), a transmission electron microscope (TEM) and a vibrating sample magnetometer (VSM). XRD analysis revealed a pure single phase of cubic spinel ferrites for all samples with x up to 0.3. The lattice parameter decreases with Mo{sup 6+} substitution linearly up to x=0.15, then nonlinearly for x≥0.2. Rietveld analysis and saturation magnetization (M{sub s}) revealed that Mo{sup 6+} replaced Fe{sup 3+} in the tetrahedral A-sites up to x=0.15, then it replaced Fe{sup 3+} in both A-sites and B-sites for x≥0.2. The saturation magnetization (M{sub s}) increases with increasing Mo{sup 6+} substitution up to x=0.15 then decreases. The crystallite size decreased while the microstrain increased with increasing Mo{sup 6+} substitution. Inserting Mo{sup 6+} produces large residents of defects and cation vacancies. - Highlights: • Nano-sized Mo-substituted cobalt ferrite CoFe{sub 2−2x}Mo{sub x}O{sub 4} (0.0≤x≤0.3) were prepared by solution combustion. • The change in M{sub s} with increasing Mo-substitution was investigated. • The cations distributions of ferrites were obtained from Rietveld analysis. • Inserting Mo{sup 6+} produces large residents of defects and cation vacancies.

  8. Methyl Butanoate Adsorption on MoS2 Surface: A Density Functional Theory Investigation

    Directory of Open Access Journals (Sweden)

    Prabowo Wahyu Aji Eko

    2018-01-01

    Full Text Available Methyl butanoate is one of the compound which is obtained from triglyceride molecule. It has hydrocarbon components and hence may produce hydrocarbon through hydrodeoxygenation (HDO or decarbonylation (DCO processes. The first step to uncover the underlying mechanism of HDO or DCO is to find the active site of methyl butanoate adsorption over the catalyst. This study attempts to investigate the active site of methyl butanoate adsorption on MoS2 surface. Stable bonding configuration for methyl butanoate adsorption on MoS2 is investigated by using density functional theory (DFT. This investigation consists of geometry optimisation and adsorption energy calculations. The stable configuration of methyl butanoate adsorption on MoS2 surface is found to be on top of Mo atom in Mo-edge surface.

  9. Neutron diffraction study of single crystalline ErCo10Mo2

    International Nuclear Information System (INIS)

    Janssen, Y.; De Boer, F.R.; Brueck, E.; Tegus, O.; Ma, L.; Buschow, K.H.J.; Reehuis, M.

    1999-01-01

    Complete text of publication follows. The ferrimagnetic intermetallic compound ErCo 10 Mo 2 (Tc = 600 K) crystallizes in the tetragonal ThMn 12 -type structure (space group 14/mmm). The Co and Mo atoms may share three crystallographic sites (8f, 8i and 8j). Earlier neutron powder diffraction experiments show that Mo has a strong preference for the 8i-site and that the magnetic ordering at low temperature is planar. Furthermore ErCo 10 Mo 2 has been reported to show one [2] or more [3] spin-reorientation transitions from planar to axial magnetic ordering. Recently we succeeded in growing a single-crystalline sample of ErCo 10 Mo 2 . Magnetic measurements in 1T show one spin-reorientation transition at about 135 K. Neutron diffraction experiments were performed to investigate a possible link between the magnetic properties and the site occupation by Mo. Our results show that our sample has the Mo atoms exclusively occupying half the 8i-sites. There is no evidence for a crystallographic superstructure. Furthermore, below 150 K some reflections strongly increase due to the growing Er magnetic moment. (author)

  10. 99Mo Yield Using Large Sample Mass of MoO3 for Sustainable Production of 99Mo

    Science.gov (United States)

    Tsukada, Kazuaki; Nagai, Yasuki; Hashimoto, Kazuyuki; Kawabata, Masako; Minato, Futoshi; Saeki, Hideya; Motoishi, Shoji; Itoh, Masatoshi

    2018-04-01

    A neutron source from the C(d,n) reaction has the unique capability of producing medical radioisotopes such as 99Mo with a minimum level of radioactive waste. Precise data on the neutron flux are crucial to determine the best conditions for obtaining the maximum yield of 99Mo. The measured yield of 99Mo produced by the 100Mo(n,2n)99Mo reaction from a large sample mass of MoO3 agrees well with the numerical result estimated with the latest neutron data, which are a factor of two larger than the other existing data. This result establishes an important finding for the domestic production of 99Mo: approximately 50% of the demand for 99Mo in Japan could be met using a 100 g 100MoO3 sample mass with a single accelerator of 40 MeV, 2 mA deuteron beams.

  11. Free energy of formation of Mo2C and the thermodynamic properties of carbon in solid molybdenum

    Science.gov (United States)

    Seigle, L. L.; Chang, C. L.; Sharma, T. P.

    1979-01-01

    As part of a study of the thermodynamical properties of interstitial elements in refractory metals, the free energy of formation of Mo2C is determined, and the thermodynamical properties of C in solution in solid Mo evaluated. The activity of C in the two-phase region Mo + Mo2C is obtained from the C content of iron rods equilibrated with metal + carbide powder mixtures. The free energy of formation of alpha-Mo2C is determined from the activity data. The thermodynamic properties of C in the terminal solid solution are calculated from available data on the solid solubility of C in Mo. Lattice distortion due to misfit of the C atoms in the interstitial sites appears to play a significant role in determining the thermodynamic properties of C in solid Mo.

  12. Spectroscopy, microscopy and theoretical study of NO adsorption on MoS2 and Co-Mo-S hydrotreating catalysts

    DEFF Research Database (Denmark)

    Topsøe, Nan-Yu; Tuxen, Anders Kyrme; Hinnemann, Berit

    2011-01-01

    nfrared (IR) spectroscopy using NO as a probe molecule has been one of the important methods for characterizing hydrotreating catalysts, since this technique provides information on the nature and quantity of active edge sites of these catalysts. However, due to the strong adsorption of NO, which......) calculations, we present new atomic-scale insight into the nature of NO adsorption on MoS2 and Co-Mo-S nanoclusters. The DFT calculations and STM experiments show that NO does not adsorb at fully sulfided MoS2 edges not containing hydrogen. However, typical sulfided catalysts will have hydrogen present...... NO as a probe molecule to obtain detailed atomic-scale information on hydrotreating catalysts and the origins of activity differences. (C) 2011 Published by Elsevier Inc....

  13. Atomistic simulation of the point defects in B2-type MoTa alloy

    International Nuclear Information System (INIS)

    Zhang Jianmin; Wang Fang; Xu Kewei; Ji, Vincent

    2009-01-01

    The formation and migration mechanisms of three different point defects (mono-vacancy, anti-site defect and interstitial atom) in B 2 -type MoTa alloy have been investigated by combining molecular dynamics (MD) simulation with modified analytic embedded-atom method (MAEAM). From minimization of the formation energy, we find that the anti-site defects Mo Ta and Ta Mo are easier to form than Mo and Ta mono-vacancies, while Mo and Ta interstitial atoms are difficult to form in the alloy. In six migration mechanisms of Mo and Ta mono-vacancies, one nearest-neighbor jump (1NNJ) is the most favorable due to its lowest activation and migration energies, but it will cause a disorder in the alloy. One next-nearest-neighbor jump (1NNNJ) and one third-nearest-neighbor jump (1TNNJ) can maintain the ordered property of the alloy but require higher activation and migration energies, so the 1NNNJ and 1TNNJ should be replaced by straight [1 0 0] six nearest-neighbor cyclic jumps (S[1 0 0]6NNCJ) or bent [1 0 0] six nearest-neighbor cyclic jumps (B[1 0 0]6NNCJ) and [1 1 0] six nearest-neighbor cyclic jumps ([1 1 0]6NNCJ), respectively. Although the migrations of Mo and Ta interstitial atoms need much lower energy than Mo and Ta mono-vacancies, they are not main migration mechanisms due to difficult to form in the alloy.

  14. Sulfur bonding in MoS2 and Co-Mo-S structures

    DEFF Research Database (Denmark)

    Byskov, Line Sjolte; Hammer, Bjørk; Nørskov, Jens Kehlet

    1997-01-01

    The structure and bonding in small MoS2 structures with and without Co is studied theoretically using self-consistent density functional theory with a non-local exchange-correlation energy. The structures model the catalysts used extensively in hydrotreating. We study in detail the structure...... study the energy required to form sulfur vacancies, which are believed to be the active sites for many hydrotreating reactions. The presence of Co atoms at the edges is shown to lead to a significant lowering of the metal-sulfur binding energy. This imposes an increase in the concentration of active...

  15. ACTIVITY TEST AND REGENERATION OF NiMo/Z CATALYST FOR HYDROCRACKING OF WASTE PLASTIC FRACTION TO GASOLINE FRACTION

    Directory of Open Access Journals (Sweden)

    Rodiansono Rodiansono

    2010-06-01

    Full Text Available Activity test and regeneration of NiMo/active natural zeolite catalyst for hydrocracking of waste plastic fraction of polyprophylene (PP type have been carried out. The catalysts was prepared by loading Mo followed by Ni Metals onto the natural zeolite (Z sample, then calcined at 500oC, oxidized and reduced at 400oC under nitrogen, oxygen and hydrogen stream, respectively. The characterization of catalysts including spesific surface area, average pore radius, and total pore volume were performed by gas sorption analyzer, amount of total acid sites was determined by gas sorption method, and acid site strength was confirmed by IR spectroscopy. The hydrocracking process was carried out in a semi-flow reactor system at 360 oC and catalyst:feed ratio 0.5 under hydrogen stream (150 mL/hour. The feed was vaporized from the pyrolisis reactor into the hydrocracking reactor. A liquid product was collected and analyzed by gas chromatography (GC and gas chromatography-mass spectroscopy (GC-MS. The characterization results showed that spesific surface area, average pore radius, and total pore volume of the Z sample decreased after loading of the Ni and Mo metals. Amount of total acid sites of the NiMo/Z catalyst was higher than that of the Z sample. The activity of NiMo/Z catalyst decreased after several continously runs. Its regeneration produced the NiMo/Z reg catalyst with similar activity and selectivity to the fresh catalyst (NiMo/Z. The activity of catalysts at the optimum condition followed the order of NiMo/Z reg>NiMo/Z>Z (conversion of hydrocarbon C>12 and NiMo/Z reg>NiMo/Z>Z (total yield of gasoline fraction. The selectivity of catalysts for C7-C8 product followed the order of Z>NiMo/Z>NiMo/Z reg. Keywords: activity, polyprophylene, catalyst, gasoline fraction.

  16. Dipole strength distribution below the giant dipole resonance in {sup 92}Mo, {sup 98}Mo and {sup 100}Mo

    Energy Technology Data Exchange (ETDEWEB)

    Rusev, G.Y.

    2006-07-01

    Investigations of the dipole-strength distributions in {sup 92}Mo, {sup 98}Mo and {sup 100}Mo were carried out by means of the method of nuclear resonance fluorescence. The low-lying excitations in the nuclides {sup 92}Mo, {sup 98}Mo and {sup 100}Mo have been studied in photon-scattering experiments at an electron energy of 6 MeV at the ELBE accelerator and at electron energies from 3.2 to 3.8 MeV at the Dynamitron accelerator. Five levels were observed in {sup 92}Mo. Five levels in {sup 98}Mo and 14 in {sup 100}Mo were identified for the first time in the energy range from 2 to 4 MeV. Dipole-strength distributions up to the neutron-separation energies in the nuclides {sup 92}Mo, {sup 98}Mo and {sup 100}Mo have been investigated at the ELBE accelerator. Because of the possible observation of transitions in the neighboring nuclei produced via ({gamma},n) reaction, additional measurements at electron energies of 8.4 and 7.8 MeV, below the neutron-separation energy, were performed on {sup 98}Mo and {sup 100}Mo, respectively. The number of transitions assigned to {sup 92}Mo, {sup 98}Mo and {sup 100}Mo is 340, 485 and 499, respectively, the main part of them being dipole transitions. Statistical properties of the observed transitions are obtained. The continuum contains the ground-state transitions as well as the branching transitions to the low-lying levels and the subsequent deexcitations of these levels. (orig.)

  17. Enhanced photocatalytic activity and synthesis of ZnO nanorods/MoS2 composites

    Science.gov (United States)

    Li, Hui; Shen, Hao; Duan, Libing; Liu, Ruidi; Li, Qiang; Zhang, Qian; Zhao, Xiaoru

    2018-05-01

    A stable and recyclable organic degradation catalyst based on MoS2 functionalized ZnO nanorods was introduced. ZnO nanorods were synthesized on the glass substrates (2 cm*2 cm) by sol-gel method and hydrothermal method and functionalized with MoS2 via an argon flow annealing method. The structure and morphology of the as-prepared samples were characterized by XRD, SEM and TEM. Results showed that a small amount of MoS2 was successfully wrapped on the surfaces of ZnO nanorods. XPS analyses showed the existence of Zn-S between ZnO and MoS2, indicating that the MoS2 was combined with ZnO through chemical bonds and formed the ZnO/MoS2 heterostructure. PL results revealed that ZnO/MoS2 had lower fluorescence spectra indicating an electron transport channel between ZnO and MoS2 which separated electrons and holes. Photocatalytic experiment showed that ZnO/MoS2 composites showed a better photodegradation performance of Rhodamine B (RhB) after functionalized with MoS2 under the UV light irradiation which could be attributed to the separation and transfer of photogenerated electrons and holes between ZnO and MoS2. Meanwhile, the high active adsorption sites on the edges of MoS2 also accelerated the degradation process. Furthermore, the scavengers were used to investigate the major active species and results indicated that h+ was the major reactive species for the degradation.

  18. Study on the influence of nickel and Al{sub 2}O{sub 3} support on MoS{sub 2} as hydrodenitrogenation catalysts

    Energy Technology Data Exchange (ETDEWEB)

    Hein, J.; Hrabar, A.; Gutierrez, O.Y.; Lercher, J.A. [Technische Univ. Muenchen, Garching (Germany). Catalysis Research Center

    2012-07-01

    Alumina-supported Mo and Ni-Mo catalysts as well as an unsupported NiMo catalyst were characterized and tested in the hydrodenitrogenation (HDN) of quinoline in the presence of dibenzothiophene (DBT). The supported catalysts had a well dispersed MoS{sub 2} phase with an average stacking degree around two and slabs length below 10 nm. The unsupported NiMo sulfide catalyst exhibited long, multistacked MoS{sub 2} slabs and contained segregated Ni{sub x}S{sub y} phases. The formation of the Ni-Mo-S phase in both Ni containing catalysts was verified by X-ray absorption spectroscopy, whereas the concentration of coordinatively unsaturated sites was higher for the supported Mo and Ni-Mo catalysts than for the unsupported one. All catalysts were active in the HDN of quinoline and hydrodesulfurization of DBT. The catalytic activity increased in the order Mo/Al{sub 2}O{sub 3} < NiMo/unsupported < Ni-Mo/Al{sub 2}O{sub 3}. Thus, the influence on the catalytic activity of the promoter metal Ni is more important than the presence of a support due to the formation of the Ni-Mo-S phase (more active than MoS{sub 2}). (orig.)

  19. Waste Management Strategies for Production of Mo-99

    Energy Technology Data Exchange (ETDEWEB)

    Cozzi, A. [Savannah River Site (SRS), Aiken, SC (United States). Savannah River National Lab. (SRNL); Johnson, F. [Savannah River Site (SRS), Aiken, SC (United States). Savannah River National Lab. (SRNL)

    2017-01-31

    Production of Mo-99 for medical isotope use is being investigated using dissolved low enriched uranium (LEU) fissioned using an accelerator driven process. With the production and separation of Mo-99, a low level waste stream will be generated. Since the production facility is a commercial endeavor, waste disposition paths normally available for federally generated radioactive waste may not be available. Disposal sites for commercially generated low level waste are available, and consideration to the waste acceptance criteria (WAC) of the disposal site should be integral in flowsheet development for the Mo-99 production. Pending implementation of the “Uranium Lease and Take-Back Program for Irradiation for Production of Molybdenum-99 for Medical Use” as directed by the American Medical Isotopes Production Act of 2012, there are limited options for disposing of the waste generated by the production of Mo-99 using an accelerator. The commission of a trade study to assist in the determination of the most favorable balance of production throughput and waste management should be undertaken. The use of a waste broker during initial operations of a facility has several benefits that can offset the cost associated with using a subcontractor. As the facility matures, the development of in-house capabilities can be expanded to incrementally reduce the dependence on a subcontractor.

  20. Electronic structures of B1 MoN, fcc Mo2N, and hexagonal MoN

    International Nuclear Information System (INIS)

    Ihara, H.; Kimura, Y.; Senzaki, K.; Kezuka, H.; Hirabayashi, M.

    1985-01-01

    The electronic structures of B1 MoN, fcc Mo 2 N, and hexagonal MoN were observed by photoelectron spectroscopic measurement. The B1-MoN phase has been predicted to be a high-T/sub c/ superconductor because of a large density of states at Fermi level. The observed electronic structure of the stoichiometric B1-MoN phase is different from that of the real B1-MoN type. The nitrogen excess B1-MoN/sub x/ (x> or =1.3) phase, however, shows the B1-type electronic structure. This is explained by the occurrence of a nitrogen vacancy in the apparent stoichiometric B1 phase and the occupation of the nitrogen vacancy in the nitrogen-excess B1 phase. This property is related to the previously reported low T/sub c/ of the B1-MoN crystals

  1. Microstructure and properties of MoSi2-MoB and MoSi2-Mo5Si3 molybdenum silicides

    International Nuclear Information System (INIS)

    Schneibel, J.H.; Sekhar, J.A.

    2003-01-01

    MoSi 2 -based intermetallics containing different volume fractions of MoB or Mo 5 Si 3 were fabricated by hot-pressing MoSi 2 , MoB, and Mo 5 Si 3 powders in vacuum. Both classes of alloys contained approximately 5 vol.% of dispersed silica phase. Additions of MoB or Mo 5 Si 3 caused the average grain size to decrease. The decrease in the grain size was typically accompanied by an increase in flexure strength, a decrease in the room temperature fracture toughness, and a decrease in the hot strength (compressive creep strength) measured around 1200 deg. C, except when the Mo 5 Si 3 effectively became the major phase. Oxidation measurements on the two classes of alloys were carried out in air. Both classes of alloys were protected from oxidation by an in-situ adherent scale that formed on exposure to high temperature. The scale, although not analyzed in detail, is commonly recognized in MoSi 2 containing materials as consisting mostly of SiO 2 . The MoB containing materials showed an increase in the scale thickness and the cyclic oxidation rate at 1400 deg. C when compared with pure MoSi 2 . However, in contrast with the pure MoSi 2 material, oxidation at 1400 deg. C began with a weight loss followed by a weight gain and the formation of the protective silica layer. The Mo 5 Si 3 containing materials experienced substantial initial weight losses followed by regions of small weight changes. Overall, the MoB and Mo 5 Si 3 additions to MoSi 2 tended to be detrimental for the mechanical and oxidative properties

  2. Impact of Reduced Graphene Oxide on MoS2 Grown by Sulfurization of Sputtered MoO3 and Mo Precursor Films (Postprint)

    Science.gov (United States)

    2016-05-26

    1,2 intercalation assisted exfoliation,8–11 physical vapor deposition (PVD),12,13 and a wet chemistry approach involving thermal decomposition of a... annealed MoO3, MoS2 films S1 (MoS2 using Mo precursor), S2 (MoS2 using MoO3 precursor), S1r (MoS2 using Mo pre- cursor and rGO), and S2r (MoS2 using...MoO3 precursor and rGO). The annealed MoO3 (a) shows Mo(IV) peaks which are indicative of MoO2, and Mo(VI) peaks that occur when MoO3 is present. Both

  3. Understanding hydrodenitrogenation on novel unsupported sulfide Mo-W-Ni catalysis

    Energy Technology Data Exchange (ETDEWEB)

    Hein, J.; Hrabar, A.; Gutierrez, O.Y.; Lercher, J.A. [Technische Univ. Muenchen (Germany). Catalysis Research Center

    2011-07-01

    WNi, NiMo and Mo-W-Ni unsupported catalysts were synthesized, characterized and tested with respect to their hydrodenitrogenation properties using o-propylaniline as test reactant. The bimetallic oxide precursors are crystalline metallates, whereas the trimetallic materials are amorphous. In the sulfide form, the catalysts are mixtures of agglomerated Mo(W)S{sub 2} and Ni sulfides. The performance of all catalysts is similar, suggesting the same nature of active sites regardless the composition. Due to the lack of correlation between activity and density of coordinatively unsaturated sites of the catalysts, two kinds of active sites are proposed, i.e. coordinatively unsaturated sites and electron rich sites at the edges of the sulfides. (orig.)

  4. Measurement of target and double-spin asymmetries for the e<mo>→>p<mo>→mo><mo>→mo>eπ<mo>+mo><mo>(n)> reaction in the nucleon resonance region at low Q2

    Energy Technology Data Exchange (ETDEWEB)

    Zheng, X.; Adhikari, K. P.; Bosted, P.; Deur, A.; Drozdov, V.; El Fassi, L.; Kang, Hyekoo; Kovacs, K.; Kuhn, S.; Long, E.; Phillips, S. K.; Ripani, M.; Slifer, K.; Smith, L. C.; Adikaram, D.; Akbar, Z.; Amaryan, M. J.; Anefalos Pereira, S.; Asryan, G.; Avakian, H.; Badui, R. A.; Ball, J.; Baltzell, N. A.; Battaglieri, M.; Batourine, V.; Bedlinskiy, I.; Biselli, A. S.; Briscoe, W. J.; Bültmann, S.; Burkert, V. D.; Carman, D. S.; Celentano, A.; Chandavar, S.; Charles, G.; Chen, J. -P.; Chetry, T.; Choi, Seonho; Ciullo, G.; Clark, L.; Colaneri, L.; Cole, P. L.; Compton, N.; Contalbrigo, M.; Crede, V.; D' Angelo, A.; Dashyan, N.; De Vita, R.; De Sanctis, E.; Djalali, C.; Dodge, G. E.; Dupre, R.; Egiyan, H.; El Alaoui, A.; Elouadrhiri, L.; Eugenio, P.; Fanchini, E.; Fedotov, G.; Fersch, R.; Filippi, A.; Fleming, J. A.; Gevorgyan, N.; Ghandilyan, Y.; Gilfoyle, G. P.; Giovanetti, K. L.; Girod, F. X.; Gleason, C.; Golovach, E.; Gothe, R. W.; Griffioen, K. A.; Guidal, M.; Guler, N.; Guo, L.; Hanretty, C.; Harrison, N.; Hattawy, M.; Hicks, K.; Holtrop, M.; Hughes, S. M.; Ilieva, Y.; Ireland, D. G.; Ishkhanov, B. S.; Isupov, E. L.; Jenkins, D.; Jiang, H.; Jo, H. S.; Joosten, S.; Keller, D.; Khachatryan, G.; Khandaker, M.; Kim, A.; Kim, W.; Klein, F. J.; Kubarovsky, V.; Lanza, L.; Lenisa, P.; Livingston, K.; MacGregor, I. J. D.; Markov, N.; McKinnon, B.; Mirazita, M.; Mokeev, V.; Movsisyan, A.; Munevar, E.; Munoz Camacho, C.; Murdoch, G.; Nadel-Turonski, P.; Net, L. A.; Ni, A.; Niccolai, S.; Niculescu, G.; Niculescu, I.; Osipenko, M.; Ostrovidov, A. I.; Paolone, M.; Paremuzyan, R.; Park, K.; Pasyuk, E.; Peng, P.; Pisano, S.; Pogorelko, O.; Price, J. W.; Puckett, A. J. R.; Raue, B. A.; Rizzo, A.; Rosner, G.; Rossi, P.; Roy, P.; Sabatié, F.; Salgado, C.; Schumacher, R. A.; Sharabian, Y. G.; Skorodumina, Iu.; Smith, G. D.; Sokhan, D.; Sparveris, N.; Stankovic, I.; Strakovsky, I. I.; Strauch, S.; Taiuti, M.; Tian, Ye; Ungaro, M.; Voskanyan, H.; Voutier, E.; Walford, N. K.; Watts, D. P.; Wei, X.; Weinstein, L. B.; Wood, M. H.; Zachariou, N.; Zhang, J.; Zonta, I.

    2016-10-01

    We report measurements of target- and double-spin asymmetries for the exclusive channel e<mo>→>p<mo>→mo><mo>→mo>eπ<mo>+mo><mo>(n)> in the nucleon resonance region at Jefferson Lab using the CEBAF Large Acceptance Spectrometer (CLAS). These asymmetries were extracted from data obtained using a longitudinally polarized NH3 target and a longitudinally polarized electron beam with energies 1.1, 1.3, 2.0, 2.3, and 3.0 GeV. The new results are consistent with previous CLAS publications but are extended to a low Q2 range from 0.0065 to 0.35 (GeV/c)2. The Q2 access was made possible by a custom-built Cherenkov detector that allowed the detection of electrons for scattering angles as low as 6 degrees. These results are compared with the unitary isobar models JANR and MAID, the partial-wave analysis prediction from SAID, and the dynamic model DMT. In many kinematic regions our results, in particular results on the target asymmetry, help to constrain the polarization-dependent components of these models.

  5. Measurement and Estimation of the 99Mo Production Yield by 100Mo(n,2n)99Mo

    Science.gov (United States)

    Minato, Futoshi; Tsukada, Kazuaki; Sato, Nozomi; Watanabe, Satoshi; Saeki, Hideya; Kawabata, Masako; Hashimoto, Shintaro; Nagai, Yasuki

    2017-11-01

    We, for the first time, measured the yield of 99Mo, the mother nuclide of 99mTc used in nuclear medicine diagnostic procedures, produced by the 100Mo(n,2n)99Mo reaction with accelerator neutrons. The neutrons with a continuous energy spectrum from the thermal energy up to about 40 MeV were provided by the C(d,n) reaction with 40 MeV deuteron beams. It was proved that the 99Mo yield agrees with that estimated by using the latest data on neutrons from the C(d,n) reaction and the evaluated cross section of the 100Mo(n,2n)99Mo reaction given in the Japanese Evaluated Nuclear Data Library. On the basis of the agreement, a systematic calculation was carried out to search for an optimum condition that enables us to produce as much 99Mo as possible with a good 99Mo/100Mo value from an economical point of view. The calculated 99Mo yield from a 150 g 100MoO3 sample indicated that about 30% of the demand for 99Mo in Japan can be met with a single accelerator capable of 40 MeV, 2 mA deuteron beams. Here, by referring to an existing 18F-fluorodeoxyglucose (FDG) distribution system we assumed that 99mTc radiopharmaceuticals formed after separating 99mTc from 99Mo can be delivered to hospitals from a radiopharmaceutical company within 6 h. The elution of 99mTc from 99Mo twice a day would meet about 50% of the demand for 99Mo.

  6. Activating basal-plane catalytic activity of two-dimensional MoS2 monolayer with remote hydrogen plasma

    KAUST Repository

    Cheng, Chia-Chin; Lu, Ang-Yu; Tseng, Chien-Chih; Yang, Xiulin; Hedhili, Mohamed N.; Chen, Min-Cheng; Wei, Kung-Hwa; Li, Lain-Jong

    2016-01-01

    that account for a small percentage of the surface area, rather than the basal planes, of MoS2 monolayer have been confirmed as their active catalytic sites. As a result, extensive efforts have been developing in activating the basal planes of MoS2

  7. Co-Processing of Jatropha-Derived Bio-Oil with Petroleum Distillates over Mesoporous CoMo and NiMo Sulfide Catalysts

    Directory of Open Access Journals (Sweden)

    Shih-Yuan Chen

    2018-02-01

    Full Text Available The co-processing of an unconventional type of Jatropha bio-oil with petroleum distillates over mesoporous alumina-supported CoMo and NiMo sulfide catalysts (denoted CoMo/γ-Al2O3 and NiMo/γ-Al2O3 was studied. Either a stainless-steel high-pressure batch-type reactor or an up-flow fixed-bed reaction system was used under severe reaction conditions (330–350 °C and 5–7 MPa, similar to the conditions of the conventional diesel hydrodesulfurization (HDS process. To understand the catalytic performance of the mesoporous sulfide catalysts for co-processing, we prepared two series of oil feedstocks. First, model diesel oils, consisting of hydrocarbons and model molecules with various heteroatoms (sulfur, oxygen, and nitrogen were used for the study of the reaction mechanisms. Secondly, low-grade oil feedstocks, which were prepared by dissolving of an unconventional type of Jatropha bio-oil (ca. 10 wt % in the petroleum distillates, were used to study the practical application of the catalysts. Surface characterization by gas sorption, spectroscopy, and electron microscopy indicated that the CoMo/γ-Al2O3 sulfide catalyst, which has a larger number of acidic sites and coordinatively unsaturated sites (CUS on the mesoporous alumina framework, was associated with small Co-incorporated MoS2-like slabs with high stacking numbers and many active sites at the edges and corners. In contrast, the NiMo/γ-Al2O3 sulfide catalyst, which had a lower number of acidic sites and CUS on mesoporous alumina framework, was associated with large Ni-incorporated MoS2-like slabs with smaller stacking numbers, yielding more active sites at the brims and corresponding to high hydrogenation (HYD activity. Concerning the catalytic performance, the mesoporous CoMo/γ-Al2O3 sulfide catalyst with large CUS number was highly active for the conventional diesel HDS process; unfortunately, it was deactivated when oxygen- and nitrogen-containing model molecules or Jatropha bio

  8. Adsorption studies of alcohol molecules on monolayer MoS_2 nanosheet—A first-principles insights

    International Nuclear Information System (INIS)

    Nagarajan, V.; Chandiramouli, R.

    2017-01-01

    Highlights: • The adsorption of methanol, ethanol & 1-propanol on MoS_2 nanosheet are studied. • The PDOS & band structure confirms adsorption of alcohol vapors on MoS_2 nanosheet. • The adsorption of 1-propanol vapor on MoS_2 nanosheet is more favorable. • The alcohol molecules adsorption on MoS_2 nanosheet is explored in atomistic level. - Abstract: The electronic and adsorption properties of three different alcohol molecules namely methanol, ethanol and 1-propanol vapors on MoS_2 nanosheet is investigated using DFT method. The structural stability of MoS_2 nanosheet is ascertained with formation energy. The adsorption properties of alcohol molecules on MoS_2 base material is discussed in terms of average energy gap variation, Mulliken charge transfer, energy band gap and adsorption energy. The prominent adsorption sites of methanol, ethanol and 1-propanol vapors on MoS_2 nanosheet are studied in atomistic level. The projected density of states (PDOS) spectrum gives the clear insights on the electronic properties of MoS_2 nanosheet. The PDOS and energy band structure confirmed the adsorption of alcohol vapors on MoS_2 nanosheet. The variation in the band structure and PDOS is noticed upon adsorption of methanol, ethanol and 1-propanol molecules on MoS_2 nanosheet. The PDOS spectrum also reveals the variation in peak maxima owing to transfer of electron between alcohol molecules and MoS_2 base material. The adsorption of 1-propanol vapor on MoS_2 nanosheet is observed to be more favorable than other alcohol molecules. The findings confirm that monolayer MoS_2 nanosheet can be used to detect the presence of alcohol vapors in the environment.

  9. Adsorption studies of alcohol molecules on monolayer MoS{sub 2} nanosheet—A first-principles insights

    Energy Technology Data Exchange (ETDEWEB)

    Nagarajan, V.; Chandiramouli, R., E-mail: rcmoulii@gmail.com

    2017-08-15

    Highlights: • The adsorption of methanol, ethanol & 1-propanol on MoS{sub 2} nanosheet are studied. • The PDOS & band structure confirms adsorption of alcohol vapors on MoS{sub 2} nanosheet. • The adsorption of 1-propanol vapor on MoS{sub 2} nanosheet is more favorable. • The alcohol molecules adsorption on MoS{sub 2} nanosheet is explored in atomistic level. - Abstract: The electronic and adsorption properties of three different alcohol molecules namely methanol, ethanol and 1-propanol vapors on MoS{sub 2} nanosheet is investigated using DFT method. The structural stability of MoS{sub 2} nanosheet is ascertained with formation energy. The adsorption properties of alcohol molecules on MoS{sub 2} base material is discussed in terms of average energy gap variation, Mulliken charge transfer, energy band gap and adsorption energy. The prominent adsorption sites of methanol, ethanol and 1-propanol vapors on MoS{sub 2} nanosheet are studied in atomistic level. The projected density of states (PDOS) spectrum gives the clear insights on the electronic properties of MoS{sub 2} nanosheet. The PDOS and energy band structure confirmed the adsorption of alcohol vapors on MoS{sub 2} nanosheet. The variation in the band structure and PDOS is noticed upon adsorption of methanol, ethanol and 1-propanol molecules on MoS{sub 2} nanosheet. The PDOS spectrum also reveals the variation in peak maxima owing to transfer of electron between alcohol molecules and MoS{sub 2} base material. The adsorption of 1-propanol vapor on MoS{sub 2} nanosheet is observed to be more favorable than other alcohol molecules. The findings confirm that monolayer MoS{sub 2} nanosheet can be used to detect the presence of alcohol vapors in the environment.

  10. New Layered Oxide-Fluoride Perovskites: KNaNbOF5 and KNaMO2F4 (M = Mo6+, W6+

    Directory of Open Access Journals (Sweden)

    Rachelle Ann F. Pinlac

    2011-03-01

    Full Text Available KNaNbOF5 and KNaMO2F4 (M = Mo6+, W6+, three new layered oxide-fluoride perovskites with the general formula ABB’X6, form from the combination of a second-order Jahn-Teller d0 transition metal and an alkali metal (Na+ on the B-site. Alternating layers of cation vacancies and K+ cations on the A-site complete the structure. The K+ cations are found in the A-site layer where the fluoride ions are located. The A-site is vacant in the adjacent A-site layer where the axial oxides are located. This unusual layered arrangement of unoccupied A-sites and under bonded oxygen has not been observed previously although many perovskite-related structures are known.

  11. Vacancy formation in MoO3: hybrid density functional theory and photoemission experiments

    KAUST Repository

    Salawu, Omotayo Akande

    2016-09-29

    Molybdenum oxide (MoO3) is an important material that is being considered for numerous technological applications, including catalysis and electrochromism. In the present study, we apply hybrid density functional theory to investigate O and Mo vacancies in the orthorhombic phase. We determine the vacancy formation energies of different defect sites as functions of the electron chemical potential, addressing different charge states. In addition, we investigate the consequences of defects for the material properties. Ultraviolet photoemission spectroscopy is employed to study the valence band of stoichiometric and O defective MoO3. We show that O vacancies result in occupied in-gap states.

  12. Vacancy formation in MoO3: hybrid density functional theory and photoemission experiments

    KAUST Repository

    Salawu, Omotayo Akande; Chroneos, Alexander; Vasilopoulou, Maria; Kennou, Stella; Schwingenschlö gl, Udo

    2016-01-01

    Molybdenum oxide (MoO3) is an important material that is being considered for numerous technological applications, including catalysis and electrochromism. In the present study, we apply hybrid density functional theory to investigate O and Mo vacancies in the orthorhombic phase. We determine the vacancy formation energies of different defect sites as functions of the electron chemical potential, addressing different charge states. In addition, we investigate the consequences of defects for the material properties. Ultraviolet photoemission spectroscopy is employed to study the valence band of stoichiometric and O defective MoO3. We show that O vacancies result in occupied in-gap states.

  13. Normal and grazing incidence pulsed laser deposition of nanostructured MoSx hydrogen evolution catalysts from a MoS2 target

    Science.gov (United States)

    Fominski, V. Yu.; Romanov, R. I.; Fominski, D. V.; Dzhumaev, P. S.; Troyan, I. A.

    2018-06-01

    Pulsed laser ablation of a MoS2 target causes enhanced splashing of the material. So, for MoSx films obtained by pulsed laser deposition (PLD) in the conventional normal incidence (NI) configuration, their typical morphology is characterized by an underlying granular structure with an overlayer of widely dispersed spherical Mo and MoSx particles possessing micro-, sub-micro- and nanometer sizes. We investigated the possibility of using high surface roughness, which occurs due to particle deposition, as a support with a large exposed surface area for thin MoSx catalytic layers for the hydrogen evolution reaction (HER). For comparison, the HER performance of MoSx layers formed by grazing incidence (GI) PLD was studied. During GI-PLD, a substrate was placed along the direction of laser plume transport and few large particles loaded the substrate. The local structure and composition of thin MoSx layers formed by the deposition of the vapor component of the laser plume were varied by changing the pressure of the buffer gas (argon, Ar). In the case of NI-PLD, an increase in Ar pressure caused the formation of quasi-amorphous MoSx (x ≥ 2) films that possessed highly active catalytic sites on the edges of the layered MoS2 nanophase. At the same time, a decrease in the deposition rate of the MoSx film appeared due to the scattering of the vapor flux by Ar molecules during flux transport from the target to the substrate. This effect prevented uniform deposition of the MoSx catalytic film on the surface of most particles, whose deposition rate was independent of Ar pressure. The scattered vapor flux containing Mo and S atoms was a dominant source for MoSx film growth during GI-PLD. The thickness and composition distribution of the MoSx film on the substrate depended on both the pressure of the buffer gas and the distance from the target. For 1.0-2.5 cm from the target, the deposition rate was quite sufficient to form S-enriched quasi-amorphous MoSx (2.5 < x < 6) catalytic

  14. Al atom on MoO3(010) surface: adsorption and penetration using density functional theory.

    Science.gov (United States)

    Wu, Hong-Zhang; Bandaru, Sateesh; Wang, Da; Liu, Jin; Lau, Woon Ming; Wang, Zhenling; Li, Li-Li

    2016-03-14

    Interfacial issues, such as the interfacial structure and the interdiffusion of atoms at the interface, are fundamental to the understanding of the ignition and reaction mechanisms of nanothermites. This study employs first-principle density functional theory to model Al/MoO3 by placing an Al adatom onto a unit cell of a MoO3(010) slab, and to probe the initiation of interfacial interactions of Al/MoO3 nanothermite by tracking the adsorption and subsurface-penetration of the Al adatom. The calculations show that the Al adatom can spontaneously go through the topmost atomic plane (TAP) of MoO3(010) and reach the 4-fold hollow adsorption-site located below the TAP, with this subsurface adsorption configuration being the most preferred one among all plausible adsorption configurations. Two other plausible configurations place the Al adatom at two bridge sites located above the TAP of MoO3(010) but the Al adatom can easily penetrate below this TAP to a relatively more stable adsorption configuration, with a small energy barrier of merely 0.2 eV. The evidence of subsurface penetration of Al implies that Al/MoO3 likely has an interface with intermixing of Al, Mo and O atoms. These results provide new insights on the interfacial interactions of Al/MoO3 and the ignition/combustion mechanisms of Al/MoO3 nanothermites.

  15. Optical and structural properties of Mo-doped NiTiO{sub 3} materials synthesized via modified Pechini methods

    Energy Technology Data Exchange (ETDEWEB)

    Pham, Thanh-Truc; Kang, Sung Gu; Shin, Eun Woo, E-mail: ewshin@ulsan.ac.kr

    2017-07-31

    Highlights: • Mo-doped NiTiO{sub 3} materials were well prepared by a modified Pechini method. • Recombination rates of the materials were significantly inhibited by Mo doping. • Defect sites were generated by the substitution of Mo for Ni or Ti positions. • The generation of defect sites gradually decreased the grain sizes of the materials. • The surface areas of the materials were increased with decreasing the grain sizes. - Abstract: In this study, molybdenum (Mo)-doped nickel titanate (NiTiO{sub 3}) materials were successfully synthesized as a function of Mo content through a modified Pechini method followed by a solvothermal treatment process. Various characterization methods were employed to investigate the optical and structural properties of the materials. XRD patterns clearly showed that the NiTiO{sub 3} structure maintained a single phase with no observed crystalline structure transformations, even after the addition of 10 wt.% Mo. In the Raman spectra and XRD patterns, peak positions shifted with a change in Mo content, confirming that the NiTiO{sub 3} lattice was doped with Mo. On the other hand, Mo doping of NiTiO{sub 3} materials changed their optical properties. DRS-UV demonstrated that the addition of Mo increased photon absorption within the UV region. Relaxation processes were inhibited by Mo doping, which was evident in the PL spectra. Structural properties of the prepared materials were studied via FE-SEM and HR-TEM. The measured surface area increased proportionally with Mo content due to a reduction in grain size of the materials.

  16. Greenfield Alternative Study LEU-Mo Fuel Fabrication Facility

    Energy Technology Data Exchange (ETDEWEB)

    Washington Division of URS

    2008-07-01

    This report provides the initial “first look” of the design of the Greenfield Alternative of the Fuel Fabrication Capability (FFC); a facility to be built at a Greenfield DOE National Laboratory site. The FFC is designed to fabricate LEU-Mo monolithic fuel for the 5 US High Performance Research Reactors (HPRRs). This report provides a pre-conceptual design of the site, facility, process and equipment systems of the FFC; along with a preliminary hazards evaluation, risk assessment as well as the ROM cost and schedule estimate.

  17. Probing topological electronic effects in catalysis: thiophene adsorption on NiMoS and CoMoS clusters

    Energy Technology Data Exchange (ETDEWEB)

    Borges Junior, Itamar; Silva, Alexander M., E-mail: itamar@ime.eb.br [Instituto Militar de Engenharia (IME), Rio de Janeiro-RJ (Brazil). Programa de Pos-Graduacao em Engenharia de Defesa

    2012-10-15

    A general two-step theoretical approach to study electronic redistributions in catalytic processes is presented. In the first step, density functional theory (DFT) is used to fully optimize two geometries: the cluster representing the catalyst and the cluster plus adsorbed molecule system. In the second step, the converged electron density is divided into multipoles centered on atomic sites according to a distributed multipole analysis which provides detailed topological information on the charge redistribution of catalyst and molecule before and after adsorption. This approach is applied to thiophene adsorption on the 10{sup -}10 metal edge of Ni(Co)MoS catalysts and compared to the same reaction on bare MoS{sub 2}. Calculated adsorption energies, geometries and multipole analysis indicate weak thiophene chemisorption on both cases. A Coulombic bond model showed that surface metal-sulfur bond strengths in Ni(Co)MoS promoted catalysts are considerably smaller than in bare MoS{sub 2}, thus confirming the origin of the enhancement of hydrodesulfurization (HDS) activity in these catalysts. (author)

  18. Composition-Graded MoWSx Hybrids with Tailored Catalytic Activity by Bipolar Electrochemistry.

    Science.gov (United States)

    Tan, Shu Min; Pumera, Martin

    2017-12-06

    Among transition metal dichalcogenide (TMD)-based composites, TMD/graphene-related material and bichalcogen TMD composites have been widely studied for application toward energy production via the hydrogen evolution reaction (HER). However, scarcely any literature explored the possibility of bimetallic TMD hybrids as HER electrocatalysts. The use of harmful chemicals and harsh preparation conditions in conventional syntheses also detracts from the objective of sustainable energy production. Herein, we present the conservational alternative synthesis of MoWS x via one-step bipolar electrochemical deposition. Through bipolar electrochemistry, the simultaneous fabrication of composition-graded MoWS x hybrids, i.e., sulfur-deficient Mo x W (1-x) S 2 and Mo x W (1-x) S 3 (MoWS x /BPE cathodic and MoWS x /BPE anodic , respectively) under cathodic and anodic overpotentials, was achieved. The best-performing MoWS x /BPE cathodic and MoWS x /BPE anodic materials exhibited Tafel slopes of 45.7 and 50.5 mV dec -1 , together with corresponding HER overpotentials of 315 and 278 mV at -10 mA cm -2 . The remarkable HER activities of the composite materials were attributed to their small particle sizes, as well as the near-unity value of their surface Mo/W ratios, which resulted in increased exposed HER-active sites and differing active sites for the concurrent adsorption of protons and desorption of hydrogen gas. The excellent electrocatalytic performances achieved via the novel methodology adopted here encourage the empowerment of electrochemical deposition as the foremost fabrication approach toward functional electrocatalysts for sustainable energy generation.

  19. Ternary system of Na2MoO4-Cs2MoO4-MoO3

    International Nuclear Information System (INIS)

    Zueva, V.P.; Shabanova, A.N.; Drobasheva, T.I.

    1982-01-01

    Using the methods of thermal analysis interaction of components in ternary system Na 2 MoO 4 -Cs 2 MoO 4 -MoO 3 has been studied. Crystallization surface consists of nine fields belonging to initial components and compounds of lateral sides. Triangulation of the system is carried out and the character of nonvariant points is clarified, the temperature of 360 deg C corresponds to low-melting eutectics

  20. Probing edge-activated resonant Raman scattering from mechanically exfoliated 2D MoO3 nanolayers

    International Nuclear Information System (INIS)

    Yano, Taka-aki; Yoshida, Keisuke; Hayashi, Tomohiro; Hara, Masahiko; Hayamizu, Yuhei; Ohuchi, Fumio

    2015-01-01

    We report spatially resolved vibrational analysis of mechanically exfoliated single-crystalline α-MoO 3 nanolayers. Raman scattering from α-MoO 3 was enhanced predominantly at the outside edges of the nanolayers. The enhanced Raman scattering at the edges was attributed primarily to the enhanced resonant Raman effect caused by a high density of oxygen vacancies localized at the edges. The localized vacancy sites corresponded to a non-stoichiometric phase of MoO 3 , which would provide reactive sites with high catalytic activity. (paper)

  1. Phase equilibria in the Mo-Fe-P system at 800 °C and structure of ternary phosphide (Mo(1-x)Fe(x))3P (0.10 ≤ x ≤ 0.15).

    Science.gov (United States)

    Oliynyk, Anton O; Lomnytska, Yaroslava F; Dzevenko, Mariya V; Stoyko, Stanislav S; Mar, Arthur

    2013-01-18

    Construction of the isothermal section in the metal-rich portion (ternary phases: (Mo(1-x)Fe(x))(2)P (x = 0.30-0.82) and (Mo(1-x)Fe(x))(3)P (x = 0.10-0.15). The occurrence of a Co(2)Si-type ternary phase (Mo(1-x)Fe(x))(2)P, which straddles the equiatomic composition MoFeP, is common to other ternary transition-metal phosphide systems. However, the ternary phase (Mo(1-x)Fe(x))(3)P is unusual because it is distinct from the binary phase Mo(3)P, notwithstanding their similar compositions and structures. The relationship has been clarified through single-crystal X-ray diffraction studies on Mo(3)P (α-V(3)S-type, space group I42m, a = 9.7925(11) Å, c = 4.8246(6) Å) and (Mo(0.85)Fe(0.15))(3)P (Ni(3)P-type, space group I4, a = 9.6982(8) Å, c = 4.7590(4) Å) at -100 °C. Representation in terms of nets containing fused triangles provides a pathway to transform these closely related structures through twisting. Band structure calculations support the adoption of these structure types and the site preference of Fe atoms. Electrical resistivity measurements on (Mo(0.85)Fe(0.15))(3)P reveal metallic behavior but no superconducting transition.

  2. Electronic structure of structural open derivatives of the [Mo6X14]2- cluster: [Mo5Cl13]2- and [Mo4I11]2-

    International Nuclear Information System (INIS)

    Miessner, H.; Korol'kov, D.V.

    1983-01-01

    The electronic structure of structural open derivatives of the [Mo 6 X 14 ] 2 - -cluster [Mo 5 Cl 13 ] 2 - and [Mo 4 I 11 ] 2 - has been studied by the EHMO method. In [Mo 5 Cl 13 ] 2 - 9 occupied MO's with dominant Mo4d character are responsible for the formation of the 8 metal-metal bonds. In [Mo 4 I 11 ] 2 - the stronger covalent character of the Mo-I bonds affects the localization and the energy of molecular orbitals and also the charge distribution. The metal-metal bonds are formed by 8 MO's containing considerable participation of halogen AO's contrary to the chloride cluster. There is no bonding between the Mo atoms at the wing tips of the Mo 4 butterfly and the reason for decreasing the dihedral angle between the Mo 3 planes in [Mo 4 I 11 ] 2 - compared with the octahedral angle is apparently the stabilization of the whole system (Mo-Mo and Mo-I bonds). The unpaired electron occupies in both clusters a slightly antibonding (with regard to the Mo-Mo bonds) orbital. (author)

  3. Creep and shrinkage of Mo(Ni)

    International Nuclear Information System (INIS)

    Kaysser, W.A.; Hofmann-Amtenbrink, M.; Petzow, G.

    1984-01-01

    To avoid some of the errors inherent in a quantitative interpretation of shrinkage of powder compacts as Mo-Ni, other experiments were looked for, where the influence of Ni on the material transport properties of Mo could be measured semi-quantitatively during heating up to temperature and subsequent isothermal annealing. The bending of thin Mo foils under small loads was found to be an experimental arrangement, where variations in stress, in Ni-concentration and in intrinsic material properties could be realized. The results of these creep experiments will be compared in a qualitative sense with sintering experiments in Mo-Ni done under similar conditions as the creep experiments

  4. Enhanced electrocatalytic activity of MoSx on TCNQ-treated electrode for hydrogen evolution reaction

    KAUST Repository

    Chang, Yunghuang

    2014-10-22

    Molybdenum sulfide has recently attracted much attention because of its low cost and excellent catalytical effects in the application of hydrogen evolution reaction (HER). To improve the HER efficiency, many researchers have extensively explored various avenues such as material modification, forming hybrid structures or modifying geometric morphology. In this work, we reported a significant enhancement in the electrocatalytic activity of the MoSx via growing on Tetracyanoquinodimethane (TCNQ) treated carbon cloth, where the MoSx was synthesized by thermolysis from the ammonium tetrathiomolybdate ((NH4)2MoS4) precursor at 170 °C. The pyridinic N- and graphitic N-like species on the surface of carbon cloth arising from the TCNQ treatment facilitate the formation of Mo5+ and S2 2- species in the MoSx, especially with S2 2- serving as an active site for HER. In addition, the smaller particle size of the MoSx grown on TCNQ-treated carbon cloth reveals a high ratio of edge sites relative to basal plane sites, indicating the richer effective reaction sites and superior electrocatalytic characteristics. Hence, we reported a high hydrogen evolution rate for MoSx on TCNQ-treated carbon cloth of 6408 mL g-1 cm-2 h-1 (286 mmol g-1 cm-2 h-1) at an overpotential of V = 0.2 V. This study provides the fundamental concepts useful in the design and preparation of transition metal dichalcogenide catalysts, beneficial in the development in clean energy.

  5. Properties of vacancies type defects in intermetallic compounds of the Al-Mo system

    International Nuclear Information System (INIS)

    Pascuet, M.I; Fernandez, J.R; Monti, A.M

    2006-01-01

    There are five intermetallic compounds in the Al-Mo system that are stable at low temperatures. Of these, the richest phases in some of the two components are the compounds Al 12 Mo and AlMo 3 , whose Pearson symbols are cI26 and cP8, respectively. In both structures, the atoms of the minority component occupy positions bcc and each one of them is surrounded by 12 atoms first neighbors of the other component. These 13 atoms form icosahedron shaped units or heaps. Unlike what occurs in Al 12 Mo, the AlMo 3 heaps are superposed by sharing atoms from the majority component. The neighboring environment of the majority component is mixed but differs considerably in one or another intermetallic. In each structure, the sites occupied by any given species are crystallographically equivalent, that is, they can self generate from one of the positions and from the crystalline structure's elements of symmetry. This work studies the energy of vacancies and antisites in both compounds and the atomic-jump processes to vacant sites. Computer simulation techniques were used based on minimizing the system's energy. Many-body embedded-atom potentials were used to represent the atomic interactions. The potential mixture used resulted in an adjustment to the crystalline structure of the AlMo 3 phase at low temperatures and to its formation energy (cw)

  6. Unexpected strong magnetism of Cu doped single-layer MoS₂ and its origin.

    Science.gov (United States)

    Yun, Won Seok; Lee, J D

    2014-05-21

    The magnetism of the 3d transition-metal (TM) doped single-layer (1L) MoS2, where the Mo atom is partially replaced by the 3d TM atom, is investigated using the first-principles density functional calculations. In a series of 3d TM doped 1L-MoS2's, the induced spin polarizations are negligible for Sc, Ti, and Cr dopings, while the induced spin polarizations are confirmed for V, Mn, Fe, Co, Ni, Cu, and Zn dopings and the systems become magnetic. Especially, the Cu doped system shows unexpectedly strong magnetism although Cu is nonmagnetic in its bulk state. The driving force is found to be a strong hybridization between Cu 3d states and 3p states of neighboring S, which results in an extreme unbalanced spin-population in the spin-split impurity bands near the Fermi level. Finally, we also discuss further issues of the Cu induced magnetism of 1L-MoS2 such as investigation of additional charge states, the Cu doping at the S site instead of the Mo site, and the Cu adatom on the layer (i.e., 1L-MoS2).

  7. Possible doping strategies for MoS 2 monolayers: An ab initio study

    KAUST Repository

    Dolui, Kapildeb; Rungger, Ivan; Das Pemmaraju, Chaitanya; Sanvito, Stefano

    2013-01-01

    Density functional theory is used to systematically study the electronic properties of doped MoS2 monolayers, where the dopants are incorporated both via S/Mo substitution or as adsorbates. Among the possible substitutional dopants at the Mo site, Nb is identified as suitable p-type dopant, while Re is the donor with the lowest activation energy. When dopants are simply adsorbed on a monolayer we find that alkali metals shift the Fermi energy into the MoS2 conduction band, making the system n type. Finally, the adsorption of charged molecules is considered, mimicking an ionic liquid environment. We find that molecules adsorption can lead to both n- and p-type conductivity, depending on the charge polarity of the adsorbed species. © 2013 American Physical Society.

  8. Possible doping strategies for MoS 2 monolayers: An ab initio study

    KAUST Repository

    Dolui, Kapildeb

    2013-08-14

    Density functional theory is used to systematically study the electronic properties of doped MoS2 monolayers, where the dopants are incorporated both via S/Mo substitution or as adsorbates. Among the possible substitutional dopants at the Mo site, Nb is identified as suitable p-type dopant, while Re is the donor with the lowest activation energy. When dopants are simply adsorbed on a monolayer we find that alkali metals shift the Fermi energy into the MoS2 conduction band, making the system n type. Finally, the adsorption of charged molecules is considered, mimicking an ionic liquid environment. We find that molecules adsorption can lead to both n- and p-type conductivity, depending on the charge polarity of the adsorbed species. © 2013 American Physical Society.

  9. Scalable Patterning of MoS2 Nanoribbons by Micromolding in Capillaries.

    Science.gov (United States)

    Hung, Yu-Han; Lu, Ang-Yu; Chang, Yung-Huang; Huang, Jing-Kai; Chang, Jeng-Kuei; Li, Lain-Jong; Su, Ching-Yuan

    2016-08-17

    In this study, we report a facile approach to prepare dense arrays of MoS2 nanoribbons by combining procedures of micromolding in capillaries (MIMIC) and thermolysis of thiosalts ((NH4)2MoS4) as the printing ink. The obtained MoS2 nanoribbons had a thickness reaching as low as 3.9 nm, a width ranging from 157 to 465 nm, and a length up to 2 cm. MoS2 nanoribbons with an extremely high aspect ratio (length/width) of ∼7.4 × 10(8) were achieved. The MoS2 pattern can be printed on versatile substrates, such as SiO2/Si, sapphire, Au film, FTO/glass, and graphene-coated glass. The degree of crystallinity of the as-prepared MoS2 was discovered to be adjustable by varying the temperature through postannealing. The high-temperature thermolysis (1000 °C) results in high-quality conductive samples, and field-effect transistors based on the patterned MoS2 nanoribbons were demonstrated and characterized, where the carrier mobility was comparable to that of thin-film MoS2. In contrast, the low-temperature-treated samples (170 °C) result in a unique nanocrystalline MoSx structure (x ≈ 2.5), where the abundant and exposed edge sites were obtained from highly dense arrays of nanoribbon structures by this MIMIC patterning method. The patterned MoSx was revealed to have superior electrocatalytic efficiency (an overpotential of ∼211 mV at 10 mA/cm(2) and a Tafel slope of 43 mV/dec) in the hydrogen evolution reaction (HER) when compared to the thin-film MoS2. The report introduces a new concept for rapidly fabricating cost-effective and high-density MoS2/MoSx nanostructures on versatile substrates, which may pave the way for potential applications in nanoelectronics/optoelectronics and frontier energy materials.

  10. Scalable Patterning of MoS2Nanoribbons by Micromolding in Capillaries

    KAUST Repository

    Hung, Yu-Han

    2016-07-27

    In this study, we report a facile approach to prepare dense arrays of MoS2 nanoribbons by combining procedures of micromolding in capillaries (MIMIC) and thermolysis of thiosalts ((NH4)2MoS4) as the printing ink. The obtained MoS2 nanoribbons had a thickness reaching as low as 3.9 nm, a width ranging from 157 to 465 nm, and a length up to 2 cm. MoS2 nanoribbons with an extremely high aspect ratio (length/width) of ∼7.4 × 108 were achieved. The MoS2 pattern can be printed on versatile substrates, such as SiO2/Si, sapphire, Au film, FTO/glass, and graphene-coated glass. The degree of crystallinity of the as-prepared MoS2 was discovered to be adjustable by varying the temperature through postannealing. The high-temperature thermolysis (1000 °C) results in high-quality conductive samples, and field-effect transistors based on the patterned MoS2 nanoribbons were demonstrated and characterized, where the carrier mobility was comparable to that of thin-film MoS2. In contrast, the low-temperature-treated samples (170 °C) result in a unique nanocrystalline MoSx structure (x ≈ 2.5), where the abundant and exposed edge sites were obtained from highly dense arrays of nanoribbon structures by this MIMIC patterning method. The patterned MoSx was revealed to have superior electrocatalytic efficiency (an overpotential of ∼211 mV at 10 mA/cm2 and a Tafel slope of 43 mV/dec) in the hydrogen evolution reaction (HER) when compared to the thin-film MoS2. The report introduces a new concept for rapidly fabricating cost-effective and high-density MoS2/MoSx nanostructures on versatile substrates, which may pave the way for potential applications in nanoelectronics/optoelectronics and frontier energy materials. © 2016 American Chemical Society.

  11. On the reduction of orthorhombic MoO3 to MoO2

    International Nuclear Information System (INIS)

    Delannay, F.

    1982-01-01

    Electron diffraction shows evidence of topotactic orientation relationships between the original MoO 3 crystal and MoO 2 crystals formed under mild reduction conditions. These relationships differ from previously published literature data. A possible mechanism of formation of the [100] strings of edge sharing octahedra in the MoO 2 structure is tentatively proposed. (author)

  12. Postirradiation tensile properties of Mo and Mo alloys irradiated with 600 MeV protons

    International Nuclear Information System (INIS)

    Mueller, G.V.; Gavillet, D.; Victoria, M.; Martin, J.L.

    1994-01-01

    Tensile specimens of pure Mo and Mo-5 Re, Mo-41 Re and TZM alloys have been irradiated with 600 MeV protons in the PIREX facility at 300 and 660 K to 0.5 dpa. Results of the postirradiation tensile testing show a strong radiation hardening and a severe loss of ductility for all the materials tested at room temperature. ((orig.))

  13. Ni-Doping Effects on Oxygen Removal from an Orthorhombic Mo 2 C (001) Surface: A Density Functional Theory Study

    Energy Technology Data Exchange (ETDEWEB)

    Zhou, Mingxia [Department; Cheng, Lei [Materials; Choi, Jae-Soon [Oak Ridge National Laboratory, 1 Bethel Valley Road, Oak Ridge, TN 37831, Unites States; Liu, Bin [Department; Curtiss, Larry A. [Materials; Assary, Rajeev S. [Materials

    2018-01-11

    Density functional theory (DFT) calculations were used to investigate the effect of Ni dopants on the removal of chemisorbed oxygen (O*) from the Mo-terminated (T-Mo) and C-terminated (Tc) Mo2C(001) surfaces. The removal of adsorbed oxygen from the catalytic site is essential to maintain the long-term activity and selectivity of the carbide catalysts in the deoxygenation process related to bio-oil stabilization and upgrading. In this contribution, the computed reaction energetics and reaction barriers of O* removal were compared among undoped and Ni-doped Mo2C(001) surfaces. The DFT calculations indicate that selected Ni-doped surfaces such as Ni adsorbed on T-Mo and Tc Mo2C(001) surfaces enable weaker binding of important reactive intermediates (O*, OH*) compared to the undoped counterparts, which is beneficial for the O* removal from the catalyst surface. This study thus confirms the promoting effect of the Ni dopant on O* removal reaction on the T-Mo Mo2C(001) and Tc Mo2C(001) surfaces. This computational prediction has been confirmed by the temperature-programmed reduction profiles of Mo2C and Ni-doped Mo2C catalysts, which had been passivated and stored in an oxygen environment.

  14. On the Mo-Papas equation

    Science.gov (United States)

    Aguirregabiria, J. M.; Chamorro, A.; Valle, M. A.

    1982-05-01

    A new heuristic derivation of the Mo-Papas equation for charged particles is given. It is shown that this equation cannot be derived for a point particle by closely following Dirac's classical treatment of the problem. The Mo-Papas theory and the Bonnor-Rowe-Marx variable mass dynamics are not compatible.

  15. Mo(ve)ment-methodology

    DEFF Research Database (Denmark)

    Mørck, Line Lerche; Christian Celosse-Andersen, Martin

    2018-01-01

    This paper describes the theoretical basis for and development of a moment-movement research methodology, based on an integration of critical psychological practice research and critical ethnographic social practice theory. Central theoretical conceptualizations, such as human agency, life...... conditions and identity formation, are discussed in relation to criminological theories of gang desistance. The paper illustrates how the mo(ve)ment methodology was applied in a study of comprehensive processes of identity (re)formation and gang exit processes. This study was conducted with Martin, a former....... This is a moment which captures Martin’s complex and ambiguous feelings of conflictual concerns, frustration, anger, and a new feeling of insecurity in his masculinity, as well as engagement and a sense of deep meaningfulness as he becomes a more reflective academic. All these conflicting feelings also give...

  16. Development of fission Mo-99 production technology

    Energy Technology Data Exchange (ETDEWEB)

    Park, Jin Ho; Choung, W. M.; Lee, K. I. and others

    2000-05-01

    Fission Mo-99 is the only parent nuclide of Tc-99m, an extremely useful tool for mdeical diagnosis, with an estimated usage of greater than 80% of nuclear medicine applicatons. HEU and LEU targets to optimize in HANARO irradiation condition suggested and designed for domestic production of fission Mo-99. The optimum process conditions are established in each unit process to meet quality requirements of fission Mo-99 products, and the results of performance test in combined process show Mo separation and purification yield of the above 97%. The concept of Tc generator production process is established, and the result of performance test show Tc production yield of 98.4% in Tc generator procuction process. The drafts is prepared for cooperation of technical cooperation and business investment with foreign country. Evaluation on economic feasibility is accompanied for fission Mo-99 and Tc-99m generator production.

  17. Development of fission Mo-99 production technology

    International Nuclear Information System (INIS)

    Park, Jin Ho; Choung, W. M.; Lee, K. I. and others

    2000-05-01

    Fission Mo-99 is the only parent nuclide of Tc-99m, an extremely useful tool for mdeical diagnosis, with an estimated usage of greater than 80% of nuclear medicine applicatons. HEU and LEU targets to optimize in HANARO irradiation condition suggested and designed for domestic production of fission Mo-99. The optimum process conditions are established in each unit process to meet quality requirements of fission Mo-99 products, and the results of performance test in combined process show Mo separation and purification yield of the above 97%. The concept of Tc generator production process is established, and the result of performance test show Tc production yield of 98.4% in Tc generator procuction process. The drafts is prepared for cooperation of technical cooperation and business investment with foreign country. Evaluation on economic feasibility is accompanied for fission Mo-99 and Tc-99m generator production

  18. Solution chemistry of Mo(III) and Mo(IV): Thermodynamic foundation for modeling localized corrosion

    International Nuclear Information System (INIS)

    Wang Peiming; Wilson, Leslie L.; Wesolowski, David J.; Rosenqvist, Joergen; Anderko, Andrzej

    2010-01-01

    To investigate the behavior of molybdenum dissolution products in systems that approximate localized corrosion environments, solubility of Mo(III) in equilibrium with solid MoO 2 has been determined at 80 deg. C as a function of solution acidity, chloride concentration and partial pressure of hydrogen. The measurements indicate a strong increase in solubility with acidity and chloride concentration and a weak effect of hydrogen partial pressure. The obtained results have been combined with literature data for systems containing Mo(III), Mo(IV), and Mo(VI) in solutions to develop a comprehensive thermodynamic model of aqueous molybdenum chemistry. The model is based on a previously developed framework for simulating the properties of electrolyte systems ranging from infinite dilution to solid saturation or fused salt limit. To reproduce the measurements, the model assumes the presence of a chloride complex of Mo(III) (i.e., MoCl 2+ ) and hydrolyzed species (MoOH 2+ , Mo(OH) 2 + , and Mo(OH) 3 0 ) in addition to the Mo 3+ ion. The model generally reproduces the experimental data within experimental scattering and provides a tool for predicting the phase behavior and speciation in complex, concentrated aqueous solutions. Thus, it provides a foundation for simulating the behavior of molybdenum species in localized corrosion environments.

  19. Spent 99Mo/99mTc generator as an economical source of 99Mo

    International Nuclear Information System (INIS)

    El-Kolaly, M.T.

    1990-01-01

    An improved method for utilization and purification of 99 Mo from spent 90 Mo/ 99m Tc generators has been described. After washing the generator with saline to remove the generated 99m Tc, followed by 2 mL 5 M NaOH containing a few drops of H 2 O 2 , the 99 Mo was quantitatively eluted from the generator with 5 mL 5 M NaOH. The alkaline eluate containing 99 Mo was contaminated with partially dissolved alumina. In the present method, an anion-exchange resin Dowex 1 x 8 column was used for purification of 99 Mo from the contaminating alumina. The resultant 99 Mo was of high purity and contained 3+ /mL 99 Mo solution, as estimated by atomic absorption. (author)

  20. Ab-initio study of electronic and magnetic properties of Co-doped Mo2C monolayer

    Science.gov (United States)

    Mehta, Veenu; Tankeshwar, K.; Saini, Hardev S.

    2018-05-01

    The spin polarized density functional theory (DFT) based calculations has been performed to investigate the electronic and magnetic properties of pristine and Co-doped Mo2C using VASP code. The calculated results show that the pristine Mo2C is found to be non-magnetic whereas the Co dopant at Mo-site in the Mo2C monolayer generates the ferromagnetism in the resultant compound. The total magnetic moment of the system has been found to be 1.2µB which increases to 2.03µB as the concentration of Co increase from 3% to 8%, respectively. The electronic structure calculations of the pristine and Co-doped Mo2C show its metallic behavior which may found its application in magnetic energy storage devices, magnetic tape etc.

  1. Study on HANARO core conversion using U-Mo fuel

    International Nuclear Information System (INIS)

    Lee, K.H.; Lee, C.S.; Seo, C.G.; Park, S.J.; Kim, H.; Kim, C.K.

    2002-01-01

    Two types of fuel rods with different fuel meat diameter and uranium density are considered for HANARO core conversion with high density U-Mo fuel. Arranging standard fuels of 5.0 g U/cc and 6.35 mm in diameter at the inner ring of an assembly and reduced fuels of 4.3 g U/cc and 5.49 mm in diameter at the outer ring of an assembly flattens the assembly power distribution and avoids the increase of linear heat generation rate due to using higher uranium density and less number of fuel rods. The maximum linear heat generation rate is similar with the current reference core and four fuel sites at the outer core in the reflector tank is converted to the irradiation sites to suit more demand on fuel tests and radioisotope production at outer core sites. This new core has 32% longer fuel cycle than the current reference core. (author)

  2. Phase formation in Na2MoO4 - MgMoO4 - Cr2(MoO4)3 system

    International Nuclear Information System (INIS)

    Kotova, I.Yu.; Kozhevnikova, N.M.

    1998-01-01

    Interaction within Na 2 MoO 4 - MgMoO 4 - Cr 2 (MoO 4 ) 3 ternary system is studied by X ray phase and DTA methods. State diagram of NaCr(MoO 4 ) 2 - MgMoO 4 section is plotted. Production of ternary molybdates of Na 1-x Mg 1-x Cr 1+x (MoO 4 ) 3 , where 0 ≤ x ≤ 0.3, and NaMg 3 Cr(MoO 4 ) 5 composition is ascertained [ru

  3. A FIM-atom probe investigation of the bainite transformation in CrMo steel

    International Nuclear Information System (INIS)

    Bach, P.W.

    1981-01-01

    To obtain a better understanding of the role played by Cr and Mo in the bainite transformation a Field-Ion Microscope - Atom Probe was constructed in order to study the distribution of the alloying elements near various types of boundaries on atomic scale. The distribution of alloying elements measured with this instrument is not so smooth on atomic scale as suggested by microprobe analysis. In a coherent twin boundary, formed during the bainite transformation, a depletion of the substitutionals Cr and Mo and an enhancement of the C content is observed, which is in accordance with the atomic model of a B.C.C. twin. In the twin plane the interstitial sites are even larger than the F.C.C. octahedral sites and this plane can act as an effective sink for the carbon atoms from bainitic ferrite. The depletion of Cr and Mo from the twin plane is due to interface coherency. (Auth.)

  4. Synthesis and characterization of a Ruddlesden-Popper compound: Sr3FeMoO7

    International Nuclear Information System (INIS)

    Li Zhaofei; Li Guobao; Sun Junliang; You Liping; Loong, Chun-K.; Wang Yingxia; Liao Fuhui; Lin Jianhua

    2005-01-01

    A powder sample of Sr 3 FeMoO 7 was synthesized by solid-state reaction in reduced atmosphere (5% H 2 /Ar). At room temperature, Sr 3 FeMoO 7 crystallizes in a typical Ruddlesden-Popper (n=2) structure in the space group I4/mmm, a=3.9309(2)A and c=20.435(2)A. The structure refinement indicates that the Fe and Mo ions are randomly distributed in a single B-site with small fraction of B-site and oxygen vacancies. At low temperature, long-range magnetic interaction was observed. The antiferromagnetic magnetic interaction can be described with a large unit cell, a m =b m =2a n and c m =c n , in the magnetic space group An'

  5. AMORE Mo-99 Spike Test Results

    Energy Technology Data Exchange (ETDEWEB)

    Youker, Amanda J. [Argonne National Lab. (ANL), Argonne, IL (United States); Krebs, John F. [Argonne National Lab. (ANL), Argonne, IL (United States); Quigley, Kevin J. [Argonne National Lab. (ANL), Argonne, IL (United States); Byrnes, James P. [Argonne National Lab. (ANL), Argonne, IL (United States); Rotsch, David A [Argonne National Lab. (ANL), Argonne, IL (United States); Brossard, Thomas [Argonne National Lab. (ANL), Argonne, IL (United States); Wesolowski, Kenneth [Argonne National Lab. (ANL), Argonne, IL (United States); Alford, Kurt [Argonne National Lab. (ANL), Argonne, IL (United States); Chemerisov, Sergey [Argonne National Lab. (ANL), Argonne, IL (United States); Vandegrift, George F. [Argonne National Lab. (ANL), Argonne, IL (United States)

    2017-09-27

    With funding from the National Nuclear Security Administrations Material Management and Minimization Office, Argonne National Laboratory (Argonne) is providing technical assistance to help accelerate the U.S. production of Mo-99 using a non-highly enriched uranium (non-HEU) source. A potential Mo-99 production pathway is by accelerator-initiated fissioning in a subcritical uranyl sulfate solution containing low enriched uranium (LEU). As part of the Argonne development effort, we are undertaking the AMORE (Argonne Molybdenum Research Experiment) project, which is essentially a pilot facility for all phases of Mo-99 production, recovery, and purification. Production of Mo-99 and other fission products in the subcritical target solution is initiated by putting an electron beam on a depleted uranium (DU) target; the fast neutrons produced in the DU target are thermalized and lead to fissioning of U-235. At the end of irradiation, Mo is recovered from the target solution and separated from uranium and most of the fission products by using a titania column. The Mo is stripped from the column with an alkaline solution. After acidification of the Mo product solution from the recovery column, the Mo is concentrated (and further purified) in a second titania column. The strip solution from the concentration column is then purified with the LEU Modified Cintichem process. A full description of the process can be found elsewhere [1–3]. The initial commissioning steps for the AMORE project include performing a Mo-99 spike test with pH 1 sulfuric acid in the target vessel without a beam on the target to demonstrate the initial Mo separation-and-recovery process, followed by the concentration column process. All glovebox operations were tested with cold solutions prior to performing the Mo-99 spike tests. Two Mo-99 spike tests with pH 1 sulfuric acid have been performed to date. Figure 1 shows the flow diagram for the remotely operated Mo-recovery system for the AMORE project

  6. Development of fission Mo-99 production technology

    Energy Technology Data Exchange (ETDEWEB)

    Park, Jin Ho; Choung, W. M.; Lee, K. I. and others

    2001-05-01

    This R and D project is planed to supply domestic demands of Mo-99 through fission route, and consequently this project will be expected to rise up utilization of HANARO and KAERI's capability for marketing extension into domestic and oversea radiopharmaceutical market. HEU and LEU target types are decided and designed for fission Mo-99 production in domestic. Experimental study of target fabrication technology was performed and developed processing equipments. And conceptual design of target loading/unloading in/from HANARO device are performed. Tracer test of Mo-99 separation and purification process was performed, test results reach to Mo-99 recovery yield above 80% and decontamination factor above 1600. Combined Mo-99 separation and purification process was decided for hot test scheduled from next year, and performance test was performed. Conceptual design for modification of existing hot cell for fission Mo-99 production facility was performed and will be used for detail design. Assumption for the comparison of LEU and HEU target in fission Mo-99 production process were suggested and compared of merits and demerits in view of fabrication technology and economy feasibility.

  7. Development of fission Mo-99 production technology

    International Nuclear Information System (INIS)

    Park, Jin Ho; Choung, W. M.; Lee, K. I. and others

    2001-05-01

    This R and D project is planed to supply domestic demands of Mo-99 through fission route, and consequently this project will be expected to rise up utilization of HANARO and KAERI's capability for marketing extension into domestic and oversea radiopharmaceutical market. HEU and LEU target types are decided and designed for fission Mo-99 production in domestic. Experimental study of target fabrication technology was performed and developed processing equipments. And conceptual design of target loading/unloading in/from HANARO device are performed. Tracer test of Mo-99 separation and purification process was performed, test results reach to Mo-99 recovery yield above 80% and decontamination factor above 1600. Combined Mo-99 separation and purification process was decided for hot test scheduled from next year, and performance test was performed. Conceptual design for modification of existing hot cell for fission Mo-99 production facility was performed and will be used for detail design. Assumption for the comparison of LEU and HEU target in fission Mo-99 production process were suggested and compared of merits and demerits in view of fabrication technology and economy feasibility

  8. Synthesis of MoO3 nanoparticles for azo dye degradation by catalytic ozonation

    International Nuclear Information System (INIS)

    Manivel, Arumugam; Lee, Gang-Juan; Chen, Chin-Yi; Chen, Jing-Heng; Ma, Shih-Hsin; Horng, Tzzy-Leng; Wu, Jerry J.

    2015-01-01

    Highlights: • Synthesis of one-dimensional MoO 3 nanostructures using hydrothermal, microwave, and sonochemical methods. • Sonochemical synthesized MoO 3 presents the best efficiency for the dye removal by catalytic ozonation. • Efficient environmental remediation process. - Abstract: One-dimensional molybdenum trioxide nanostructures were prepared in three different approaches, including thermal, microwave, and sonochemical methods. The physicochemical properties of the obtained MoO 3 nanoparticles were investigated by diffused reflectance spectroscopy, X-ray diffraction analysis, field emission scanning electron microscopy, high resolution transmission electron microscopy, and Brunauer–Emmett–Teller surface area analysis. Among the methods as investigated, sonochemical synthesis gave well-dispersed fine MoO 3 nanoparticles compared with the other approaches. All the synthesized MoO 3 nanostructures were examined for the catalytic ozonation to degrade azo dye in aqueous environment. Different performances were obtained for the catalyst prepared in different methods and the catalytic efficiencies were found to be the order of sonochemical, microwave, and then thermal methods. The sonochemical MoO 3 catalyst allowed the total dye removal within 20 min and its good performance was justified according to their higher surface area with higher number of active sites that provide effective dye interaction for better degradation

  9. V1.42In1.83Mo15Se19

    Directory of Open Access Journals (Sweden)

    Michel Potel

    2010-10-01

    Full Text Available The structure of the title compound, vanadium indium pentadecamolybdenum nonadecaselenide, V1.42In1.83Mo15Se19, is isotypic with In2.9Mo15Se19 [Grüttner et al. (1979. Acta Cryst. B35, 285–292]. It is characterized by two cluster units Mo6Sei8Sea6 and Mo9Sei11Sea6 (where i represents inner and a apical atoms that are present in a 1:1 ratio. The cluster units are centered at Wyckoff positions 2b and 2c and have point-group symmetry overline{3} and overline{6}, respectively. The clusters are interconnected through additional Mo—Se bonds. In the title compound, the V3+ cations replace the trivalent indium atoms present in In2.9Mo15Se19, and a deficiency is observed on the monovalent indium site. One Mo, one Se and the V atom are situated on mirror planes, and two other Se atoms and the In atom are situated on threefold rotation axes.

  10. Effect of Mo-Doped Mesoporous Al-SSP Catalysts for the Catalytic Dehydration of Ethanol to Ethylene

    Directory of Open Access Journals (Sweden)

    Titinan Chanchuey

    2016-01-01

    Full Text Available The catalytic dehydration of ethanol to ethylene over the mesoporous Al-SSP and Mo-doped Al-SSP catalysts was investigated. The Al-SSP catalyst was first synthesized by the modified sol-gel method and then doped with Mo by impregnation to obtain 1% Mo/Al-SSP and 5% Mo/Al-SSP catalysts (1 and 5 wt% of Mo. The final catalysts were characterized using various techniques such as XRD, N2 physisorption, SEM/EDX, TEM, and NH3-TPD. The catalytic activity for all catalysts in gas-phase ethanol dehydration reaction was determined at temperature range of 200°C to 400°C. It was found that the most crucial factor influencing the catalytic activities appears to be the acidity. The acid property of catalysts depended on the amount of Mo loading. Increased Mo loading in Al-SSP resulted in increased weak acid sites, which enhanced the catalytic activity. Besides acidity, the high concentration of Al at surface of catalyst is also essential to obtain high activity. Based on the results, the most suitable catalyst in this study is 1% Mo/Al-SSP catalyst, which can produce ethylene yield of ca. 90% at 300°C with slight amounts of diethyl ether (DEE and acetaldehyde.

  11. Synthesis of nitrided MoO{sub 2} and its application as anode materials for lithium-ion batteries

    Energy Technology Data Exchange (ETDEWEB)

    Yoon, Sukeun, E-mail: skyoon@kier.re.kr [New and Renewable Energy Research Division, Korea Institute of Energy Research, Daejeon 305-343 (Korea, Republic of); Jung, Kyu-Nam; Jin, Chang Soo; Shin, Kyung-Hee [New and Renewable Energy Research Division, Korea Institute of Energy Research, Daejeon 305-343 (Korea, Republic of)

    2012-09-25

    Highlights: Black-Right-Pointing-Pointer Synthesis of nitrided molybdenum oxide by nitridation. Black-Right-Pointing-Pointer Superior cyclability for nitrided molybdenum oxide anodes. Black-Right-Pointing-Pointer Electrochemical reaction behavior of nitrided molybdenum oxide with lithium. - Abstract: Nitrided MoO{sub 2} has been synthesized by hydrothermal processing followed by post-nitridation with NH{sub 3} and investigated as alternative anode materials for rechargeable lithium batteries. Characterization data reveal the presence of molybdenum nitride ({gamma}-Mo{sub 2}N and {delta}-MoN) and molybdenum oxynitride (MoO{sub x}N{sub y}). The nitrided MoO{sub 2} exhibits a capacity of >420 mAh/g after 100 cycles and good rate capability. The improved electrochemical performance of the nitrided MoO{sub 2} compared to that of molybdenum oxide (MoO{sub 2}) is attributed to high electrical conductivity provided by nitrogen doping/or substitution in the oxygen octahedral site of MoO{sub 2} structure.

  12. Oxidative dehydrogenation of propane with K-MoO3/MgAl2O4 ...

    Indian Academy of Sciences (India)

    with potassium addition due to interaction with MoO3 sites. For this reason total ... in recent years.1–3 In ODH of propane reaction, there ... heptamolybdate (Merck), dissolved in water and Mg- .... Alkali metal promotion slows down the reduc-.

  13. Mass spectrometric determination of stability of gaseous BaMoO2, Ba2MoO4, Ba2MoO5, Ba2Mo2O8 molecules

    International Nuclear Information System (INIS)

    Kudin, L.S.; Balduchchi, Dzh.; Dzhil'i, G.; Gvido, M.

    1982-01-01

    During the mass spectrometric investigation of BaCrO 4 evaporation Cr + , Ba + , BaO + main ions are recorded as well as BaMoO 4 + , BaMoO 3 + , BaMoO 2 + , BaMoO + , BaMoO 4 + , Ba 2 MoO 5 + , BaMo 2 O 8 + ions - the products of ionization of three-component (Ba, Mo, M) molecules, forming as a result of substance chemical interaction with the material of an effusion cell (Mo). Heats of formation of BaMoO 2 , Ba 2 MoO 4 , Ba 2 MoO 5 and Ba 2 Mo 2 O 8 molecules which constituted - 577+-70, -1343+-115, -1464+-70, -2393+-90 k J/mol respectively are determined on the base of the analysis of curves of ionisation efficiency and of reaction heats Ba 2 MoO 5 =BaO+BaMoO 4 , ΔH 0 0 =322+-60 kJ/mol Ba 2 Mo 2 O 8 =2BaMoO 4 , ΔH 0 0 =351+-80 kJ/mol calculated with the use of third low of thermodynamics [ru

  14. MoS2 monolayer catalyst doped with isolated Co atoms for the hydrodeoxygenation reaction

    Science.gov (United States)

    Liu, Guoliang; Robertson, Alex W.; Li, Molly Meng-Jung; Kuo, Winson C. H.; Darby, Matthew T.; Muhieddine, Mohamad H.; Lin, Yung-Chang; Suenaga, Kazu; Stamatakis, Michail; Warner, Jamie H.; Tsang, Shik Chi Edman

    2017-08-01

    The conversion of oxygen-rich biomass into hydrocarbon fuels requires efficient hydrodeoxygenation catalysts during the upgrading process. However, traditionally prepared CoMoS2 catalysts, although efficient for hydrodesulfurization, are not appropriate due to their poor activity, sulfur loss and rapid deactivation at elevated temperature. Here, we report the synthesis of MoS2 monolayer sheets decorated with isolated Co atoms that bond covalently to sulfur vacancies on the basal planes that, when compared with conventionally prepared samples, exhibit superior activity, selectivity and stability for the hydrodeoxygenation of 4-methylphenol to toluene. This higher activity allows the reaction temperature to be reduced from the typically used 300 °C to 180 °C and thus allows the catalysis to proceed without sulfur loss and deactivation. Experimental analysis and density functional theory calculations reveal a large number of sites at the interface between the Co and Mo atoms on the MoS2 basal surface and we ascribe the higher activity to the presence of sulfur vacancies that are created local to the observed Co-S-Mo interfacial sites.

  15. Extended analysis of Mo VI

    International Nuclear Information System (INIS)

    Edlen, B.; Rahimullah, K.; Tauheed, A.; Chaghtai, M.S.Z.

    1985-01-01

    The analysis of the RbI-like spectrum Mo VI has been extended to include a total of some 110 classified lines and 44 energy levels belonging to the one-electron configurations 4s 2 4p 6 ( 1 S)nl with n ranging up to 9 and l up to 7. The analysis is based on recordings of vacuum spark spectra made at Lund in the region 230-2350 A, complemented by a list of lines from 2193 to 6336 A observed and identified by Romanov and Striganov in a Penning type arc discharge. The one-electron level system is partly mixed with core-excited configurations, not treated in the present paper. Especially the nf series is strongly perturbed by 4s 2 4p 5 4d 2 , and an anomalous behaviour of the ng series is explained by interaction with the 2 G term of 4s4p 6 4d 2 . The ionization limit, derived from 6h, 7i and 8k by means of the polarization formula, is found to be 555 132+-2 cm -1 . (orig.)

  16. Site contractor participation in the DOE SWEIS process at Los Alamos, New Mexico

    Energy Technology Data Exchange (ETDEWEB)

    Pendergrass, A.; Garvey, D.

    1997-12-01

    The U.S. Department of Energy (DOE) prepares site-wide environmental impact statements (SWEIS) on sites that are to remain in operation in order to provide an estimate of the cumulative environmental impacts from projected future operations at the site. DOE has relied on outside contractors rather than the site management and operating (M&O) contractors to prepare EISs, in order to preclude the potential for conflict of interest. The site M&O contractors, who know the potential for conflict of interest. The site M&O contractors, who know the site best and are most familiar with existing information, are critical support for the contractor. The University of California (UC) is the site M&O contractor for Los Alamos National Laboratory (LANL) in Los Alamos, NM. The role of LANL (UC) personnel in DOE`s preparation process for the LANL SWEIS is described. 3 refs.

  17. Nanoparticles of superconducting γ-Mo2N and δ-MoN

    International Nuclear Information System (INIS)

    Gomathi, A.; Sundaresan, A.; Rao, C.N.R.

    2007-01-01

    We have been able to prepare nanoparticles (∼4 nm diameter) of cubic γ-Mo 2 N by a simple procedure involving the reaction of MoCl 5 with urea at 873 K. The nanoparticles show a superconducting transition around 6.5 K. The γ-Mo 2 N nanoparticles are readily transformed to nanoparticles of δ-MoN with a slightly larger diameter on heating in a NH 3 atmosphere at 573 K. Phase-pure δ-MoN obtained by this means shows a superconducting transition around 5 K. - Graphical abstract: TEM image of the γ-Mo 2 N particles with the inset showing the resistivity of the sample as a function of temperature

  18. HDN and HDS of different gas oils derived from Athabasca bitumen over phosphorus-doped NiMo/{gamma}-Al{sub 2}O{sub 3} carbides

    Energy Technology Data Exchange (ETDEWEB)

    Sundaramurthy, V.; Dalai, A.K. [Catalysis and Chemical Reaction Engineering Laboratories, Department of Chemical Engineering, University of Saskatchewan, Saskatoon, Sask. S7N 5A9 (Canada); Adjaye, J. [Syncrude Edmonton Research Centre, Edmonton, Alta. T6N 1H4 (Canada)

    2006-10-26

    A series of phosphorous-doped {gamma}-Al{sub 2}O{sub 3} supported Ni-Mo bimetallic carbide catalysts (PNiMo{sub 2}C/Al{sub 2}O{sub 3}) with 0-4.5wt.% Ni, 13wt.% Mo and 2.5wt.% P were synthesized and characterized by elemental analysis, pulsed CO chemisorption, surface area measurement, X-ray diffraction (XRD), near-edge X-ray absorption fine structure (NEXAFS), DRIFT spectroscopy of CO adsorption and H{sub 2} temperature programmed reduction. XRD indicated the formation of pure {beta}-Mo{sub 2}C phase in these catalysts, whereas the near edge X-ray absorption fine structure of C K-edge confirmed the formation of carbidic carbons. DRIFT spectra of adsorbed CO revealed that Ni or P addition to Mo{sub 2}C/Al{sub 2}O{sub 3} catalyst not only increases the number of surface Mo sites, but also promotes the reducibility of Mo. The partial sulfidation of Mo{sub 2}C phase in the presence of H{sub 2}S/H{sub 2} gas mixture at 370{sup o}C was evidenced by DRIFTS of adsorbed CO. The HDN and HDS activities of these PNiMo{sub 2}C/Al{sub 2}O{sub 3} catalysts were performed in a trickle bed reactor using light gas oil (LGO) and heavy gas oil (HGO) derived from Athabasca bitumen at 8.8MPa and compared with the unpromoted Mo carbide (Mo{sub 2}C/Al{sub 2}O{sub 3}), P doped Mo carbide (PMo{sub 2}C/Al{sub 2}O{sub 3}) and Ni promoted Mo carbide (NiMo{sub 2}C/Al{sub 2}O{sub 3}). The P doped Ni-Mo bimetallic carbide catalysts showed enhanced HDN activity compared to the Mo{sub 2}C/Al{sub 2}O{sub 3}, NiMo{sub 2}C/Al{sub 2}O{sub 3} and PMo{sub 2}C/Al{sub 2}O{sub 3} catalysts. The maximum N and S conversions, respectively, were obtained over PNiMo{sub 2}C/Al{sub 2}O{sub 3} and NiMo{sub 2}C/Al{sub 2}O{sub 3} catalysts containing 2.5wt.% Ni. (author)

  19. Stability of defects in monolayer MoS_2 and their interaction with O_2 molecule: A first-principles study

    International Nuclear Information System (INIS)

    Zhao, B.; Shang, C.; Qi, N.; Chen, Z.Y.; Chen, Z.Q.

    2017-01-01

    Highlights: • Defects can exist steadily in monolayer MoS_2 and break surface chemical inertness. • Activated surfaces are beneficial to the adsorption of O_2 through the introduction of defect levels. • Adsorbed O_2 on defective surface can dissociate with low activation energy barrier. • Defective system may be a potential substrate to design MoS_2-based gas sensor or catalysts. - Abstract: The stability of various defects in monolayer MoS_2, as well as their interactions with free O_2 molecules were investigated by density functional theory (DFT) calculations coupled with the nudged elastic band (NEB) method. The defects including S vacancy (monosulfur and disulfue vacancies), antisite defect (Mo_S) and external Mo atom can exist steadily in monolayer MoS_2, and introduce defect levels in these defective systems, which breaks the surface chemical inertness and significantly enhances the adsorption capacity for free O_2. The adsorption energy calculations and electronic properties analysis suggest that there is a strong interaction between O_2 molecule and defective system. The adsorbed O_2 on the defective surface can dissociate with a lower activation energy barrier, which produce two active oxygen atoms. Especially, two Mo atoms can occupy one Mo lattice site, and adsorbed O_2 on the top of the Mo atom can then dissociate directly with the lowest activation energy barrier. Hence, our work may provide useful information to design MoS_2-based gas sensor or catalysts.

  20. Floodplain Mapping Submission for Oregon County, MO

    Data.gov (United States)

    Federal Emergency Management Agency, Department of Homeland Security — The Floodplain Mapping study deliverables depict and quantify the flood risks for Oregon County, MO. The City of Thayer and the Missouri State Emergency Management...

  1. Alternative energy resources for MoDOT

    Science.gov (United States)

    2011-02-01

    This research investigates environmentally friendly alternative energy sources that could be used by MoDOT in various areas, and develops applicable and sustainable strategies to implement those energy sources.

  2. Phase transformations in Mo-doped FINEMETs

    Energy Technology Data Exchange (ETDEWEB)

    Silveyra, Josefina M., E-mail: jsilveyra@fi.uba.a [Lab. de Solidos Amorfos, INTECIN, FIUBA-CONICET, Paseo Colon 850, (C1063ACV) Buenos Aires (Argentina); Illekova, Emilia; Svec, Peter; Janickovic, Dusan [Institute of Physics SAS, Dubravska cesta 9, 845 11 Bratislava (Slovakia); Rosales-Rivera, Andres [Laboratorio de Magnetismo y Materiales Avanzados, Facultad de Ciencias Exactas y Naturales, Universidad Nacional de Colombia, Manizales (Colombia); Cremaschi, Victoria J. [Lab. de Solidos Amorfos, INTECIN, FIUBA-CONICET, Paseo Colon 850, (C1063ACV) Buenos Aires (Argentina)

    2010-06-15

    In this paper, the phase transformations occurring during the crystallization process of FINEMETs in which Nb has been gradually replaced by Mo have been studied by a variety of techniques including DSC, DTA, TGA, XRD and TEM. The thermal stability of the alloy was deteriorated as a consequence of Mo's smaller atomic size. The gradual replacement of Nb by Mo reduced the onset temperature of Fe-Si and of the borides. The Curie temperature of the amorphous phase slightly decreased from 594 K for x=0 to 587 K for x=3. The borides compounds Fe{sub 2}B and Fe{sub 23}B{sub 6} as well as the (Nb,Mo){sub 5}Si{sub 3} phase were found to precipitate in the second and third crystallization.

  3. Iron valence in double-perovskite (Ba,Sr,Ca)2FeMoO6: isovalent substitution effect

    International Nuclear Information System (INIS)

    Yasukawa, Y.; Linden, J.; Chan, T.S.; Liu, R.S.; Yamauchi, H.; Karppinen, M.

    2004-01-01

    In the Fe-Mo based B-site ordered double-perovskite, A 2 FeMoO 6.0 , with iron in the mixed-valence II/III state, the valence value of Fe is not precisely fixed at 2.5 but may be fine-tuned by means of applying chemical pressure at the A-cation site. This is shown through a systematic 57 Fe Moessbauer spectroscopy study using a series of A 2 FeMoO 6.0 [A=(Ba,Sr) or (Sr,Ca)] samples with high degree of Fe/Mo order, the same stoichiometric oxygen content and also almost the same grain size. The isomer shift values and other hyperfine parameters obtained from the Moessbauer spectra confirm that Fe remains in the mixed-valence state within the whole range of A constituents. However, upon increasing the average cation size at the A site the precise valence of Fe is found to decrease such that within the A=(Ba,Sr) regime the valence of Fe is closer to II, while within the A=(Sr,Ca) regime it is closer to the actual mixed-valence II/III state. As the valence of Fe approaches II, the difference in charges between Fe and Mo increases, and parallel with this the degree of Fe/Mo order increases. Additionally, for the less-ordered samples an increased tendency of clustering of the antisite Fe atoms is deduced from the Moessbauer data

  4. PRoMoTo 2013 proceedings

    OpenAIRE

    Bishop, Judith; Tillmann, Nikolai; Puder, Arno; Naik, Vinayak

    2013-01-01

    Programming for Mobile and Touch (PRoMoTo'13) was held at the 2013 ACM SIGPLAN conference on Systems, Programming, Languages and Applications (SPLASH 2013), October 2013 in Indianapolis, USA. Submissions for this event were invited in the general area of mobile and touch-oriented programming languages and programming environments, and teaching of programming for mobile devices. These are proceedings of the PRoMoTo'13.

  5. 99Mo production using MoO3 pellets obtained by mechanical compression and heat treatment

    International Nuclear Information System (INIS)

    Rojas, Jorge; Mendoza, Pablo; Lopez, Alcides

    2014-01-01

    This paper shows the results of the MoO 3 pellets fabrication by mechanical compression and the heat treatment method (MCHT) in order to optimize the production of 99 Mo in the RACSO Nuclear Center. The effects of polyvinyl alcohol (PVA) as binder are assessed by heat treatment of pellets in air atmosphere, evaluating the elimination process with increasing temperature and solubility in 5N NaOH. The results show that the pellets fabrication technique is suitable because fulfills the required technical specifications, allows to irradiate 50 % more of 98 Mo mass and facilitate a safer radiological handling of the irradiated MoO 3 . (authors).

  6. Synthesis, crystal structure and charge-distribution validation of β-Na4Cu(MoO43 adopting the alluadite structure-type

    Directory of Open Access Journals (Sweden)

    Wassim Dridi

    2016-08-01

    Full Text Available Single crystals of a new variety of tetrasodium copper(II tris[molybdate(VI], Na4Cu(MoO43, have been synthesized by solid-state reactions and characterized by single-crystal X-ray diffraction. This alluaudite structure-type is characterized by the presence of infinite layers of composition (Cu/Na2Mo3O14 parallel to the (100 plane, which are linked by MoO4 tetrahedra, forming a three-dimensional framework containing two types of hexagonal channels in which Na+ cations reside. The Cu2+ and Na2+ cations are located at the same general site with occupancies of 0.5. All atoms are on general positions except for one Mo, two Na (site symmetry 2 and another Na (site symmetry -1 atom. One O atom is split into two separate positions with occupancies of 0.5. The title compound is isotypic with Na5Sc(MoO44 and Na3In2As3O12. The structure model is supported by bond-valence-sum (BVS and charge-distribution CHARDI methods. β-Na4Cu(MoO43 is compared and discussed with the K4Cu(MoO43 and α-Na4Cu(MoO43 structures.

  7. A first-principles study of structure, orbital interactions and atomic oxygen and OH adsorption on Mo-, Sc- and Y-doped nickel bimetallic clusters

    International Nuclear Information System (INIS)

    Das, Nishith Kumar; Shoji, Tetsuo

    2013-01-01

    Highlights: •Mo-doped nickel clusters are energetically more stable than the Sc and Y-doped clusters (n ⩾ 10). •Mo atom exhibits center at the cluster rather than edge, while Sc and Y atom sit at the edge. •The metallic s, d orbitals are mainly dominated on the stability of nanoclusters. •The oxygen and OH adsorption energy of Mo-doped cluster are higher than those of other nanoclusters. •2p Orbitals are strongly bonds with Mo 4d, and a weakly interacts with Ni 3d, 4s and Mo 5s orbitals. -- Abstract: Density functional theory (DFT) has been used to study the stability, orbitals interactions and oxygen and hydroxyl chemisorption properties of Ni n M (1 ⩽ n ⩽ 12) clusters. A single atom doped-nickel clusters increase the stability, and icosahedral Ni 12 Mo cluster is the most stable structure. Molybdenum atom prefers to exhibit center at the cluster (n ⩾ 10) rather than edge, while Sc and Y atom remain at the edge. The Ni–Mo bond lengths are smaller than the Ni–Sc and Ni–Y. The pDOS results show that the d–d orbitals interactions are mainly dominating on the stability of clusters, while p orbitals have a small effect on the stability. The Mo-doped nanoclusters have the highest oxygen and OH chemisorption energy, and the most favorable adsorption site is on the top Mo site. The larger cluster distortion is found for the Sc- and Y-doped structures compared to other clusters. The oxygen 2p orbitals are strongly hybridizing with the Mo 4d orbitals (n < 9) and a little interaction between oxygen 2p and Ni 3d, 4s and Mo 5s orbitals. The Mo-doped clusters are significantly increased the chemisorption energies that might improve the passive film adherence of nanoalloys

  8. Biodistribution of 99Mo in rats

    International Nuclear Information System (INIS)

    Souza, Raphael Sancho Sisley de; Ribeiro, Bianca da Silva; Dantas, Ana Leticia Almeida; Dantas, Bernardo Maranhao; Bernardo Filho, Mario

    2009-01-01

    The modification of 99 Mo standard metabolism in the presence of MDP would alter the dosimetry of this radionuclide in nuclear medicine patients. Therefore, the objective of this work is to evaluate the influence of MDP in the biodistribution of 99 Mo. Wistar rats were divided in two groups of six animals, being inoculated respectively 99 Molibdate and 99 Mo+MDP via plex ocular. The biodistribution study was carried out after 10 and 120 minutes respectively. The organs were counted with a NaI(Tl) detector. The uptake values did not present significant differences among the groups. An in vitro study through planar chromatography was carried out to determine the affinity between molybdenum and MDP. The results show that 99 Mo has low affinity both to propanone and NaCl-0.9% solution. However, 99 Mo in the presence of MDP presented affinity to NaCl-0.9% solution and low affinity to propanone suggesting that 99 Mo was bound to MDP under the conditions of the experiment. (author)

  9. Homogeneous SLOWPOKE reactors for Mo-99/Tc-99m production in North America

    Energy Technology Data Exchange (ETDEWEB)

    Hilborn, J.W., E-mail: hilbovanw@sympatico.ca [Deep River, Ontario (Canada); Bonin, H.W. [Royal Military College of Canada, Kingston, Ontario (Canada)

    2014-07-01

    The 15 month shutdown of NRU in 2009 - 2010 caused an overall isotope shortage of approximately 30%; and in North America, the annual Tc-99m demand decreased from an estimated 20 million unit doses to about 15 million unit doses. Mo-99/Tc-99m is produced from HEU targets, irradiated in NRU for 11 days, and after chemical removal of uranium it is shipped to Nordion in Kanata, Ontario. Nordion further purifies the material and sends it to Lantheus Medical Imaging in the USA for manufacture of Mo-99 generators, which are then distributed to hundreds of hospital radiopharmacies throughout North America. One other American company, Covidien, manufactures and distributes Mo-99 generators like Lantheus, but they import bulk Mo-99 from Europe or South Africa. At the hospitals, Tc-99m is chemically extracted daily from the Mo-99 generators and loaded into syringes for immediate clinical use. Fortuitously, the 66 hour half-life of Mo-99 allows the replenishment of Tc-99m in the generator over a growth period of about 20 hours; and a generator can be 'milked' daily for up to two weeks. A more efficient model is the direct production and distribution of Tc-99m unit doses to regional hospitals from 10 'industrial' radiopharmacies located at existing licensed reactor sites in North America. A 20 kW homogeneous SLOWPOKE reactor at each site would deliver 15 litres of irradiated uranyl sulphate fuel solution daily to industrial-scale hot cells for extraction of Mo-99, which would be incorporated in large Mo-99/Tc-99m generators for extraction of Tc-99m five days a week; and the Low Enriched Uranium (LEU) would be recycled. Each automated hot-cell facility would be designed to load up to 7,000 Tc-99m syringes daily, for courier delivery to all of the Nuclear Medicine hospitals within a 3 hour average range by road transport. Typically, the delivered doses would be in the range 10 to 30 mCi. Assuming an average unit dose of 25 mCi at the hospital and 5 x 52

  10. 57Fe Moessbauer studies on Ni-Mo system in the critical region

    International Nuclear Information System (INIS)

    Das, D.; Chintalapudi, S.N.; Mukhopadhyay, P.K.; Mookerjee, A.; Mukherjee, G.D.

    2001-01-01

    Disordered magnetic system NiMo is investigated in the critical region (Mo concentration 10 and 11 wt %) using Moessbauer spectroscopy as a local probe. 57 Co activity has been diffused in the alloy and is used at the source while stainless steel is used as standard absorber. Moessbauer spectrum of the alloy showed a sharp singlet at room temperature which indicates that 57 Co atoms have gone to the substitutional site. Below 200 K, Moessbauer spectra indicate complicated hyperfine interactions and more than one magnetic phase in the samples. Moessbauer results are corroborated by ac susceptibility, resistivity and positron annihilation Doppler broadening measurements. (author)

  11. Nitrogen Adsorption and Hydrogenation on a MoFe6S9 Complex

    DEFF Research Database (Denmark)

    Rod, Thomas Holm; Hammer, Bjørk; Nørskov, Jens Kehlet

    1999-01-01

    The enzyme nitrogenase catalyzes the biological nitrogen fixation where N-2 is reduced to NH3. Density functional calculations are presented of the bonding and hydrogenation of N-2 on a MoFe6S9 complex constructed to model aspects of the active site of nitrogenase. N-2 is found to bind end on to ...... on to one of the Fe atoms. A complete energy diagram for the addition of hydrogen to the MoFe6S9 complex with and without N-2 is given, and a mechanism for ammonia synthesis is proposed on this basis....

  12. Edge-rich MoS_2 Naonosheets Rooting into Polyaniline Nanofibers as Effective Catalyst for Electrochemical Hydrogen Evolution

    International Nuclear Information System (INIS)

    Zhang, Nan; Ma, Weiguang; Wu, Tongshun; Wang, Haoyu; Han, Dongxue; Niu, Li

    2015-01-01

    Graphical abstract: For the first time polyaniline (PANI) was employed as an admirable substrate to construct the hierarchical integrative hybrid with MoS_2 (MoS_2/PANI) for hydrogen evolution reaction (HER), which achieved great active edges exposure and excellent HER performance. - Highlights: • PANI is first applied as the support of MoS_2 for enhanced HER performance. • Great active edges exposure of the hybrid significantly benefits the HER activity. • Superior HER activity and excellent stability of MoS_2/PANI have been achieved. - Abstract: Conductive polymer polyaniline (PANI) with abundant protonated sites which are beneficial to hydrogen evolution reaction (HER), was applied as the support of MoS_2 for enhanced HER performance for the first time. The novel three dimensional (3D) HER catalyst (MoS_2/PANI) was constructed with two dimensional (2D) MoS_2 building blocks rooting into the integrative nanowires. PANI nanofibers acted as excellent substrates for the uniform, dense and approximate vertical growth of MoS_2 nanosheets exposing abundant active edges. Consequently, excellent HER performance has been achieved with a low onset overpotential of 100 mV and a small Tafel slope of 45 mV dec"−"1. Most importantly, it only needed 200 and 247 mV overpotential to reach the current density of 30 and 100 mA/cm"2 respectively. Additionally, MoS_2/PANI has achieved superior stability over other MoS_2-polymer-based HER electrocatalyst. In general, for the first time, employing PANI for the construction of the edge-rich integrative hybrid has successfully achieved an outstanding HER performance.

  13. Microstructure and tribological properties of NiMo/Mo2Ni3Si intermetallic 'in-situ' composites

    International Nuclear Information System (INIS)

    Gui Yongliang; Song Chunyan; Yang Li; Qin Xiaoling

    2011-01-01

    Research highlights: → Wear resistant NiMo/Mo 2 Ni 3 Si intermetallic 'in-situ' composites was fabricated successfully with Mo-Ni-Si powder blends as the starting materials. Microstructure of the NiMo/Mo 2 Ni 3 Si composites consists of Mo 2 Ni 3 Si primary dendrites, binary intermetallic phase NiMo and small amount of Ni/NiMo eutectics structure. The NiMo/Mo 2 Ni 3 Si composites exhibited high hardness and outstanding tribological properties under room-temperature dry-sliding wear test conditions which were attributed to the covalent-dominant strong atomic bonds and excellent combination of strength and ductility and toughness. - Abstract: Wear resistant NiMo/Mo 2 Ni 3 Si intermetallic 'in-situ' composites with a microstructure of ternary metal silicide Mo 2 Ni 3 Si primary dendritic, the long strip-like NiMo intermetallic phase, and a small amount of Ni/NiMo eutectics structure were designed and fabricated using molybdenum, nickel and silicon elemental powders. Friction and wear properties of NiMo/Mo 2 Ni 3 Si composites were evaluated under different contact load at room-temperature dry-sliding wear test conditions. Microstructure, worn surface morphologies and subsurface microstructure were characterized by OM, XRD, SEM and EDS. Results indicate that NiMo/Mo 2 Ni 3 Si composites have low fiction coefficient, excellent wear resistance and sluggish wear-load dependence. The dominant wear mechanisms of NiMo/Mo 2 Ni 3 Si composites are soft abrasion and slightly superficial oxidative wear.

  14. Pressure-induced transition in Tl2MoO4

    International Nuclear Information System (INIS)

    Machon, Denis; Friese, Karen; Breczewski, Tomasz; Grzechnik, Andrzej

    2010-01-01

    Tl 2 MoO 4 has been studied under high-pressure by X-ray diffraction, Raman spectroscopy, and optical absorption measurements. A first-order phase transition is observed at 3.5±0.5 GPa. The nature (ordered vs. disordered) of the high-pressure phase strongly depends on the local hydrostatic conditions. Optical absorption measurements tend to show that this transition is concomitant with an electronic structure transformation. Prior to the transition, single crystal X-ray diffraction shows that pressure induces interactions between MoO 4 fragments and the Mo coordination number tends to increase. In addition, the stereoactivity of the lone-pair electrons on the three symmetrically independent Tl-sites is not uniform; while for two sites the stereoactivity decreases with increasing pressures for the third site the stereoactivity increases. - Graphical Abstract: (up) Structural evolutions of Tl 2 MoO 4 in the low-pressure phase. (Down) Optical properties of the high-pressure phase as a function of pressure. Display Omitted

  15. Impact of reduced graphene oxide on MoS{sub 2} grown by sulfurization of sputtered MoO{sub 3} and Mo precursor films

    Energy Technology Data Exchange (ETDEWEB)

    Pacley, Shanee, E-mail: shanee.pacley@us.af.mil; Brausch, Jacob; Beck-Millerton, Emory [U.S. Air Force Research Laboratory (AFRL)/Wright Patterson Air Force Base, Wright Patterson, Ohio 45433-7707 (United States); Hu, Jianjun; Jespersen, Michael [University of Dayton Research Institute, 300 College Park, Dayton, Ohio 45469 (United States); Hilton, Al [Wyle Laboratories, 4200 Colonel Glenn Hwy, Beavercreek, Ohio 45431 (United States); Waite, Adam [University Technology Corporation, 1270 N Fairfield Rd., Beavercreek, Ohio 45432 (United States); Voevodin, Andrey A. [Department of Materials Science and Engineering, University of North Texas, 1155 Union Circle, Denton, Texas 76203 (United States)

    2016-07-15

    Monolayer molybdenum disulfide (MoS{sub 2}), a two dimensional semiconducting dichalcogenide material with a bandgap of 1.8–1.9 eV, has demonstrated promise for future use in field effect transistors and optoelectronics. Various approaches have been used for MoS{sub 2} processing, the most common being chemical vapor deposition. During chemical vapor deposition, precursors such as Mo, MoO{sub 3}, and MoCl{sub 5} have been used to form a vapor reaction with sulfur, resulting in thin films of MoS{sub 2}. Currently, MoO{sub 3} ribbons and powder, and MoCl{sub 5} powder have been used. However, the use of ribbons and powder makes it difficult to grow large area-continuous films. Sputtering of Mo is an approach that has demonstrated continuous MoS{sub 2} film growth. In this paper, the authors compare the structural properties of MoS{sub 2} grown by sulfurization of pulse vapor deposited MoO{sub 3} and Mo precursor films. In addition, they have studied the effects that reduced graphene oxide (rGO) has on MoS{sub 2} structure. Reports show that rGO increases MoS{sub 2} grain growth during powder vaporization. Herein, the authors report a grain size increase for MoS{sub 2} when rGO was used during sulfurization of both sputtered Mo and MoO{sub 3} precursors. In addition, our transmission electron microscopy results show a more uniform and continuous film growth for the MoS{sub 2} films produced from Mo when compared to the films produced from MoO{sub 3}. Atomic force microscopy images further confirm this uniform and continuous film growth when Mo precursor was used. Finally, x-ray photoelectron spectroscopy results show that the MoS{sub 2} films produced using both precursors were stoichiometric and had about 7–8 layers in thickness, and that there was a slight improvement in stoichiometry when rGO was used.

  16. Spectrophotometric and potentiometric studies of oxidation of Mo(III) by Mo(VI) in phosphoric acid medium

    International Nuclear Information System (INIS)

    Kumar, Arvind; Verma, G.S.P.

    1975-01-01

    Oxidation of Mo(III) (green) by Mo(VI) in an inert atmosphere and in orthophosphoric acid medium at various acid concentrations is reported. Potentiometric and spectrophotometric data suggest that oxidation of Mo(III) proceeds to Mo(V) through a binuclear species Mo(III) Mo(IV) absorbing at 400 nm. The formation of this species is facilitated at high acid concentrations. It is further found that quantitative conversion of Mo(III) into Mo(V) takes place at fairly high acid concentrations. In high phosphoric acid concentrations, solution of Mo(III) has been found to be oxidized to Mo(VI) by air and hence this can be used as a good oxygen absorber. (author)

  17. Spectrophotometric and potentiometric studies of oxidation of Mo(III) by Mo(VI) in phosphoric acid medium

    Energy Technology Data Exchange (ETDEWEB)

    Kumar, A; Verma, G S.P. [Ranchi Coll. (India). Dept. of Chemistry

    1975-12-01

    Oxidation of Mo(III) (green) by Mo(VI) in an inert atmosphere and in orthophosphoric acid medium at various acid concentrations is reported. Potentiometric and spectrophotometric data suggest that oxidation of Mo(III) proceeds to Mo(V) through a binuclear species Mo(III) Mo(IV) absorbing at 400 nm. The formation of this species is facilitated at high acid concentrations. It is further found that quantitative conversion of Mo(III) into Mo(V) takes place at fairly high acid concentrations. In high phosphoric acid concentrations, solution of Mo(III) has been found to be oxidized to Mo(VI) by air and hence this can be used as a good oxygen absorber.

  18. Measurement of Mo-99 column activity in the evaluation of Mo-99/Tc-99m generator

    International Nuclear Information System (INIS)

    Kuster, Z.

    1994-01-01

    In order to calculate the real elution efficiency of Mo-99/Tc-99m generator the Mo-99 content on the column has to be previously determined. As found in this work, the external measurement of Mo-99-column activity by means of Geiger-Mueller counter is a simple, fast and reliable method. Generally, Mo-99-column is placed slightly out of the center of the generator; therefore the externally measured flux of photons (φ) is an angular-dependent function. If the thickness of the lead container is radially uniform, the flux measured at some distance from the generator (which is rotated in 2π/3 steps) is given by the equation φ = A (1 + Bcos (α-2π(i - 2)/3)) -1 , i=1,2 or 3 (Eq.1) where A is a numerical constant depending on the Mo-99-column activity, B is a numerical constant depending on the Mo-99- column position within the lead container, the angle α depends on the initial orientation of the generator. A total of 20 generator were studied. The measured Mo-99-column activities (Capintec dose calibrator) were in the range 13.1- 35.11 GBq. Contrary to the findings of Vinberg and Kristensen (Eur J Nucl Med 1/1976(219), values of A (Eq. 1) are in good correlation (r 2 =0.9794) with the measured Mo-99-column activities. (author)

  19. EXAFS study of Mo2N and Mo nitrides supported on zeolites

    International Nuclear Information System (INIS)

    Liu Zhenlin; Meng Ming; Fu Yilu; Jiang Ming; Hu Tiandou; Xie Yaning; Liu Tao

    2002-01-01

    In the present study, the reaction is applied to prepare molybdenum nitrides with high surface area, and zeolites are used as supports. The EXAFS of the Mo K-absorption edge is measured and the change of coordination environment of Mo atoms before and after the nitridation is revealed

  20. DFT study of the reactions of Mo and Mo with CO2 in gas phase

    Indian Academy of Sciences (India)

    understanding the mechanism of second-row metal reacting with CO2. The minimum energy ... et al.18 performed an IR study on the reaction of laser- ablated Mo atom .... indicate that the weak electrostatic interaction between. Mo. + and CO2 ...

  1. Cu4Pr6(MoO4)11-Pr2(MoO4)3 system

    International Nuclear Information System (INIS)

    Arzumanyan, G.A.

    1982-01-01

    Existence boundaries and Dalton compositions (CuPr(MoO 4 ) 2 , CuPr 3 (MoO 4 ) 5 ) of solid solutions that in the mojority are of shcheelite dsitored structure have been determined in the Cu 4 Pr 6 (MoO 4 ) 11 -Pr 2 (MoO 4 ) 3 system. It has been revealed that regions of homogeneity near the CuPr(MoO 4 ) 2 composition have a horseshoeshaped profile

  2. Penetration Peg Formation and Invasive Hyphae Development Require Stage-Specific Activation of MoGTI1 in Magnaporthe oryzae.

    Science.gov (United States)

    Li, Yang; Wang, Guanghui; Xu, Jin-Rong; Jiang, Cong

    2016-01-01

    The hemibiotrophic pathogen Magnaporthe oryzae causes one of the most destructive diseases in cultivated rice. Complex infection-related morphogenesis and production of various effectors are known to be important for successful colonization and disease development. In this study, we characterized the activation of the MoGTI1 transcription factor and its role in infection-related morphogenesis and effector gene expression. The Mogti1 mutant was nonpathogenic, although it was normal in appressorium formation and turgor generation. Close examination showed that Mogti1 was defective in penetration and growth of normal invasive hyphae. Deletion of MoGTI1 affected the expression of the majority of effector genes. The expression of MoGti1 appeared to be controlled by the Mps1 but not Pmk1 mitogen-activated protein kinase (MAPK), and the mps1 and Mogti1 mutants had similar phenotypes in plant infection and cell wall integrity defects. However, lack of MAPK phosphorylation sites and dispensability of the putative MAPK docking site suggested that MoGti1 is not a direct target of Mps1. Site-specific mutagenesis analyses showed that the putative protein kinase A phosphorylation site was not essential for localization of MoGti1 to the nucleus but important for its normal function. Although the cyclin-dependent kinase (CDK) phosphorylation site of MoGti1 is dispensable during vegetative growth and appressorium formation, the S77A mutation affected penetration and invasive growth. Localization of MoGti1(S77A)-green fluorescent protein to the nucleus in late stages of appressorium formation and during invasive growth was not observed, suggesting a stage-specific CDK phosphorylation of MoGti1. Overall, our data indicate that Mps1 may indirectly regulate the expression of MoGti1 in maintaining cell wall integrity, conidiation, and plant infection. MoGti1 is likely a stage-specific target of CDK and plays a crucial role in effector gene expression and morphogenesis related to the

  3. Activating basal-plane catalytic activity of two-dimensional MoS2 monolayer with remote hydrogen plasma

    KAUST Repository

    Cheng, Chia-Chin

    2016-09-10

    Two-dimensional layered transition metal dichalcogenide (TMD) materials such as Molybdenum disufide (MoS2) have been recognized as one of the low-cost and efficient electrocatalysts for hydrogen evolution reaction (HER). The crystal edges that account for a small percentage of the surface area, rather than the basal planes, of MoS2 monolayer have been confirmed as their active catalytic sites. As a result, extensive efforts have been developing in activating the basal planes of MoS2 for enhancing their HER activity. Here, we report a simple and efficient approach-using a remote hydrogen-plasma process-to creating S-vacancies on the basal plane of monolayer crystalline MoS2; this process can generate high density of S-vacancies while mainly maintaining the morphology and structure of MoS2 monolayer. The density of S-vacancies (defects) on MoS2 monolayers resulted from the remote hydrogen-plasma process can be tuned and play a critical role in HER, as evidenced in the results of our spectroscopic and electrical measurements. The H2-plasma treated MoS2 also provides an excellent platform for systematic and fundamental study of defect-property relationships in TMDs, which provides insights for future applications including electrical, optical and magnetic devices. © 2016 Elsevier Ltd.

  4. Cluster-spin dynamics in a GaMo{sub 4}S{sub 8}-type compound: {sup 27}Al nuclear magnetic resonance study of AlMo{sub 4}S{sub 8}

    Energy Technology Data Exchange (ETDEWEB)

    Ikeno, R; Nakamura, H; Kohara, T [Graduate School of Material Science, University of Hyogo, Kamigori, Ako-gun, Hyogo 678-1297 (Japan)

    2007-01-31

    The cluster-spin dynamics of the tetrahedral Mo{sub 4} cluster, involved in AlMo{sub 4}S{sub 8} with a cubic GaMo{sub 4}S{sub 8} type structure, was investigated by NMR of the nonmagnetic {sup 27}Al site located outside the cluster. The nuclear spin-lattice relaxation is described well by the conventional local moment model assuming the presence of S=1/2 at each cluster, indicating that each Mo{sub 4} cluster behaves like a local spin with rigid magnitude. This behaviour is in contrast to the in-cluster relaxation, which reflects the spin-density fluctuations inside the cluster as a small unit of metal.

  5. ITO-free flexible organic photovoltaics with multilayer MoO3/LiF/MoO3/Ag/MoO3 as the transparent electrode

    International Nuclear Information System (INIS)

    Chen, Shilin; Dai, Yunjie; Zhang, Hongmei; Zhao, Dewei

    2016-01-01

    We present efficient flexible organic photovoltaics (OPVs) with multiple layers of molybdenum oxide (MoO 3 )/LiF/MoO 3 /Ag/MoO 3 as the transparent electrode, where the thin Ag layer yields high conductivity and the dielectric layer MoO 3 /LiF/MoO 3 has high transparency due to optical interference, leading to improved power conversion efficiency compared with indium tin oxide (ITO) based devices. The MoO 3 contacting organic active layer is used as a buffer layer for good hole extraction. Thus, the multilayer MoO 3 /LiF/MoO 3 /Ag/MoO 3 can improve light transmittance and also facilitate charge carrier extraction. Such an electrode shows excellent mechanical bendability with a 9% reduction of efficiency after 1000 cycles of bending due to the ductile nature of the thin metal layer and dielectric layer used. Our results suggest that the MoO 3 /LiF/MoO 3 /Ag/MoO 3 multilayer electrode is a promising alternative to ITO as an electrode in OPVs. (paper)

  6. Micro-dressing of a carbon nanotube array with MoS2 gauze

    Science.gov (United States)

    Lim, Sharon Xiaodai; Woo, Kah Whye; Ng, Junju; Lu, Junpeng; Kwang, Siu Yi; Zhang, Zheng; Tok, Eng Soon; Sow, Chorng-Haur

    2015-10-01

    Few-layer MoS2 film has been successfully assembled over an array of CNTs. Using different focused laser beams with different wavelengths, site selective patterning of either the MoS2 film or the supporting CNT array is achieved. This paves the way for applications and investigations into the fundamental properties of the hybrid MoS2/CNT material with a controlled architecture. Through Raman mapping, straining and electron doping of the MoS2 film as a result of interaction with the supporting CNT array are detected. The role of the MoS2 film was further emphasized with a lower work function being detected from Ultra-violet Photoelectron Spectrsocopy (UPS) measurements of the hybrid material, compared to the CNT array. The effect of the changes in the work function was illustrated through the optoelectronic behavior of the hybrid material. At 0 V, 3.49 nA of current is measured upon illuminating the sample with a broad laser beam emitting laser light with a wavelength of 532 nm. With a strong response to external irradiation of different wavelengths, and changes to the power of the excitation source, the hybrid material has shown potential for applications in optoelectronic devices.

  7. Incorporating isolated molybdenum (Mo) atoms into Bilayer Epitaxial Graphene on 4H-SiC(0001)

    Science.gov (United States)

    Huang, Han; Wan, Wen; Li, Hui; Wong, Swee Liang; Lv, Lu; Gao, Yongli; Wee, Andrew T. S.

    2014-03-01

    The atomic structures and electronic properties of isolated Mo atoms in bilayer epitaxial graphene (BLEG) on 4H-SiC(0001) are investigated by low temperature scanning tunneling microscopy (LT-STM). LT-STM results reveal that isolated Mo dopants prefer to substitute C atoms at α-sites, and preferentially locate between the graphene bilayers. First-principles calculations confirm that the embedding of single Mo dopants within BLEG is energetically favorable as compared to monolayer graphene. The calculated bandstructures show that Mo-doped BLEG is n-doped, and each Mo atom introduces a local magnetic moment of 1.81 μB. Our findings demonstrate a simple and stable method to incorporate single transition metal dopants into the graphene lattice to tune its electronic and magnetic properties for possible use in graphene spin devices. NRF-CRP (Singapore) grants R-143-000-360-281and R-144-000-295-281. ``Shenghua Professorship'' startup funding from CSU and the support from the NSF of China (Grant No.11304398).

  8. Effect of Ni on the characteristics and hydrogenation activity of sulfide Mo/γ-Al2O3

    International Nuclear Information System (INIS)

    Schachtl, E.; Wuttke, E.; Gutierrez, O.Y.; Lercher, J.A.

    2012-01-01

    The hydrogenation of phenanthrene was explored on sulfide Mo/γ-Al 2 O 3 catalysts promoted with increasing concentrations of Ni. The characterization of the materials was done by N 2 -physisorption, X-ray diffraction, transmission electron microscopy, temperature programmed sulfidation and NO adsorption experiments. Increasing loading of Ni improves the dispersion of MoS 2 species; however, at Ni/(Mo+Ni) molar ratio higher than 0.5, segregation of Ni-sulfides is observed. The presence of Ni also facilitates the sulfidation of oxidic catalyst precursors by lowering the reduction temperature of Mo species. In the sulfide catalysts, Ni changes the structure of MoS 2 leading to shorter slabs with higher stacking degree than on Mo/γ-Al 2 O 3 , and increases the concentration of coordinatively unsaturated sites. The kinetic results (increased hydrogenation rate and changed reaction network in the presence of Ni) suggest that a highly active kind of active site is created by Ni promotion. (orig.)

  9. Room temperature isotherms for Mo and Ni

    International Nuclear Information System (INIS)

    Masse, J.L.

    1986-11-01

    Isotherms at room temperature for Mo and Ni are proposed. They are of three types: BIRCH, KEANE and BORN-MIE. The adjustable constants appearing in these isotherms have been determined from experimental quantities at zero pressure. An evaluation of the limit of (δB T /δP) T as P #-> # ∞, where B T is the isothermal bulk modulus, has been also used. These three isotherms obtained for Mo and Ni are compared with isotherms derived from shock-wave data according to the PRIETO's model. There is a good agreement between these and these derived from shock-wave data. The three isotherms proposed for Mo and Ni can be considered as valid until pressures of several B To , where B To is the bulk modulus B T at P = o [fr

  10. Wetting of metals and glasses on Mo

    Energy Technology Data Exchange (ETDEWEB)

    Saiz, Eduardo; Tomsia, Antoni P.; Saiz, Eduardo; Lopez-Esteban, Sonia; Benhassine, Mehdi; de Coninck, Joel; Rauch, Nicole; Ruehle, Manfred

    2008-01-08

    The wetting of low melting point metals and Si-Ca-Al-Ti-O glasses on molybdenum has been investigated. The selected metals (Au, Cu, Ag) form a simple eutectic with Mo. Metal spreading occurs under nonreactive conditions without interdiffusion or ridge formation. The metals exhibit low (non-zero) contact angles on Mo but this requires temperatures higher than 1100 C in reducing atmospheres in order to eliminate a layer of adsorbed impurities on the molybdenum surface. By controlling the oxygen activity in the furnace, glass spreading can take place under reactive or nonreactive conditions. We have found that in the glass/Mo system the contact angle does not decrease under reactive conditions. In all cases, adsorption from the liquid seems to accelerate the diffusivity on the free molybdenum surface.

  11. Atomic-scale insight into the origin of pyridine inhibition of MoS2-based hydrotreating catalysts

    DEFF Research Database (Denmark)

    Temel, Burcin; Tuxen, Anders K.; Kibsgaard, Jakob

    2010-01-01

    in earlier IR experiments on high surface alumina-supported MoS2 catalyst. The adsorption sites appear to be very similar to the brim sites involved in hydrogenation reactions in HDS. Thus, the combined STM and DFT results provide new atomic-scale insight into the inhibition effect of basic N......-compounds in HDS and the first direct observation of the adsorption mode of basic N-compounds on the catalytically active MoS2 edges. Our results lend further support to previously reported correlations between inhibiting strength and proton affinity for the N-containing compounds....

  12. Vedinių su priesaga *-mo- raida

    Directory of Open Access Journals (Sweden)

    Saulius Ambrazas

    2011-12-01

    Full Text Available DEVELOPMENT OF DERIVATIVES WITH THE SUFFIX *-mo-SummaryAdjectives with the suffix *-mo- have been formed from substantives (cf. Lith. tólimas / tólymas and Latv. dial. tuôl’eims ‘distant’; Pruss. *auktimas ‘high’; Skr. agrimá- ‘the first, who is at the head’ and verbs (cf. Lith. dial. ãpsukmas ‘sewn round’, pliùkšmas ‘deflated, limp’; OLith. laimas ‘happy’ and Pruss. etnīstislaims (gnadenreich III 631; Lith. liñksmas and Latv. lìksms ‘merry, gay, joyfull’, Gmc. *werma- ‘warm’, Skr. bhīmá- ‘terrible, frightfull’, Toch. A, B cämpamo- ‘well-to-do, rich’, Hitt. kišamma- ‘combed’ from the Late Proto-Indo-European. The gratest part of them became participles in the Baltic, Slavic and Albanian languages.On the other hand, the use of derivatives with the suffix *-mo- in the position of abstract nouns is also very old, cf. semanticaly concretized and derivationaly indissoluble abstract noun, in herited from Proto-Indo-European, Lith. dmas (dmai, Latv. dũmi, Pruss. dumis (rauch E 39, Slav. *dymъ, Latv. fūmus, Skr. dhūmó- ‘smoke’ and Gk. θῡ‑μός with abstract meaning ‘soal, vitality, passion,    need’ : dhe-/dh-/dhū- ‘blow; breathe; choke; smoke; rush; disperse; whirl, move, stir’.In the East Baltic languages abstract nouns with the derived suffixes, based on *-mo-, became productive, cf. nomina actionis with *-i-mo- in Lithuanian (cf. gyvẽnimas ‘life’ and corresponding derivatives with *-u-mo- in Latvian (cf. ìeradums ‘custom, habit’.

  13. Elevated Temperature Tensile Tests on DU–10Mo Rolled Foils

    Energy Technology Data Exchange (ETDEWEB)

    Schulthess, Jason [Idaho National Lab. (INL), Idaho Falls, ID (United States)

    2014-09-01

    Tensile mechanical properties for uranium-10 wt.% molybdenum (U–10Mo) foils are required to support modeling and qualification of new monolithic fuel plate designs. It is expected that depleted uranium-10 wt% Mo (DU–10Mo) mechanical behavior is representative of the low enriched U–10Mo to be used in the actual fuel plates, therefore DU-10Mo was studied to simplify material processing, handling, and testing requirements. In this report, tensile testing of DU-10Mo fuel foils prepared using four different thermomechanical processing treatments were conducted to assess the impact of foil fabrication history on resultant tensile properties.

  14. MoS₂ nanocube structures as catalysts for electrochemical H₂ evolution from acidic aqueous solutions.

    Science.gov (United States)

    Maijenburg, A Wouter; Regis, Morrisa; Hattori, Azusa N; Tanaka, Hidekazu; Choi, Kyoung-Shin; ten Elshof, Johan E

    2014-02-12

    Core-shell PMMA-Au nanocube structures made by a combination of nanoimprint lithography and sidewall deposition were used as template for electrodeposition of MoS2, Ni, and Pt. Linear sweep voltammetry experiments obtained in an aqueous solution containing 0.29 M H2SO4 (pH 0.24) showed that the onset potential of the core-shell-shell PMMA-Au-MoS2 nanocube electrode for the hydrogen evolution reaction (HER) was shifted to the positive direction (i.e., requiring a lower overpotential) by 20-40 mV compared to planar MoS2 films. This indicates that the nanocube electrodes have a significantly increased HER activity, which is probably because of a higher density of catalytically active edge sites available at the nanocube surface. It was also found that the HER activity initially increased with increasing MoS2 deposition time, but decreased after deposition for 60 min because the edges of the nanocubes became rounded, thereby decreasing the number of active edge sites. By depositing Ni and Pt on top of PMMA-Au nanocubes, it was shown that this method can also be used for the synthesis of nanocube structures with varying compositions.

  15. The modulation of Schottky barriers of metal-MoS2 contacts via BN-MoS2 heterostructures.

    Science.gov (United States)

    Su, Jie; Feng, Liping; Zhang, Yan; Liu, Zhengtang

    2016-06-22

    Using first-principles calculations within density functional theory, we systematically studied the effect of BN-MoS2 heterostructure on the Schottky barriers of metal-MoS2 contacts. Two types of FETs are designed according to the area of the BN-MoS2 heterostructure. Results show that the vertical and lateral Schottky barriers in all the studied contacts, irrespective of the work function of the metal, are significantly reduced or even vanish when the BN-MoS2 heterostructure substitutes the monolayer MoS2. Only the n-type lateral Schottky barrier of Au/BN-MoS2 contact relates to the area of the BN-MoS2 heterostructure. Notably, the Pt-MoS2 contact with n-type character is transformed into a p-type contact upon substituting the monolayer MoS2 by a BN-MoS2 heterostructure. These changes of the contact natures are ascribed to the variation of Fermi level pinning, work function and charge distribution. Analysis demonstrates that the Fermi level pinning effects are significantly weakened for metal/BN-MoS2 contacts because no gap states dominated by MoS2 are formed, in contrast to those of metal-MoS2 contacts. Although additional BN layers reduce the interlayer interaction and the work function of the metal, the Schottky barriers of metal/BN-MoS2 contacts still do not obey the Schottky-Mott rule. Moreover, different from metal-MoS2 contacts, the charges transfer from electrodes to the monolayer MoS2, resulting in an increment of the work function of these metals in metal/BN-MoS2 contacts. These findings may prove to be instrumental in the future design of new MoS2-based FETs with ohmic contact or p-type character.

  16. Phase relations in the M2MoO4 - Ag2MoO4 - Hf(MoO4)2 (M=Li, Na) systems

    International Nuclear Information System (INIS)

    Bazarova, Zh.G.; Bazarov, B.G.; Balsanova, L.V.

    2002-01-01

    The M 2 MoO 4 - Ag 2 MoO 4 - Hf(MoO 4 ) 2 (M=Li, Na) systems were studied by X-ray diffraction and differential thermal analyses in the subsolidus area (450 - 500 Deg C) for the first time. The formation of the binary compound with the variable composition Li 4-x Hf 1+0.2x (MoO 4 ) 4 (0 ≤ x ≤ 0.6) in the Li 2 MoO 4 - Hf(MoO 4 ) 2 system and the ternary molybdates Li 4 Ag 2 Hf(MoO 4 ) 5 (S 1 ) and Na 2 Ag 2 Hf(MoO 4 ) 4 (S 2 ) was established and the thermal characteristics of the prepared compounds were examined. The new binary molybdate Ag 2 Hf(MoO 4 ) 3 was prepared by the reaction between Ag 2 MoO 4 and Hf(MoO 4 ) 2 [ru

  17. Investigation of BaMoO4-Ln2(MoO4)3 systems (Ln = Nd, Sm, Yb)

    International Nuclear Information System (INIS)

    Vakulyuk, V.V.; Evdokimov, A.A.; Khomchenko, G.P.

    1982-01-01

    Using the methods of X-ray phase and differential-thermal analyses phase ratios in the systems BaMoO 4 -Ln 2 (MoO 4 ) 3 (Ln=Nd, Sm, Yb); BaNd 2 (MoO 4 ) 4 -MaGd 2 (MoO 4 ) are studied. Unit cell parameters and the character of melting of the compounds BaLn 2 (MoO 4 ) 4 are specified. Effect of growth conditions on laminated nature of BaGd 2 (MoO 4 ) 4 monocrystals is studied

  18. Teens join the MoEDAL collaboration

    CERN Multimedia

    Stephanie Hills

    2013-01-01

    The principal investigator for any institute joining an experimental collaboration is generally a self-assured researcher with evident leadership skills and an in-depth knowledge of their subject gained over many years. Katherine Evans fits the brief in every respect, except that she is 17 years old and her research institute is the Langton Star Centre, based at the Simon Langton Grammar School for Boys. The school has just joined the MoEDAL experiment.   Teacher Becky Parker (left) with two students from the Simon Langton Grammar School for Boys in the MoEDAL experimental area. MoEDAL, the latest LHC experiment has detectors located close to the interaction point of the LHCb experiment. This new experiment is designed to search for the highly ionizing avatars of new physics at the LHC, specifically the magnetic monopole or dyon and other highly ionizing stable massive particles from a number of beyond-the-Standard-Model scenarios. MoEDAL was approved in 2010 and is due to start taking data i...

  19. Ventilation system for 99Mo production apparatus

    International Nuclear Information System (INIS)

    Izumo, Mishiroku; Okane, Shougo; Sorita, Takami; Aoyama, Saburou

    1978-04-01

    In production of 20 Ci 99 Mo from 235 U fission, about 120 Ci of radioiodine ( 131 I, 132 I, and 133 I) is involved. To remove airborne radioiodine from the exhaust air from production apparatus and minimize radioiodine release to the atmosphere, the ventilation system is equipped with 2 units of Model-FD charcoal filter (KI 3 -Impregnated charcoal 2 inch thick of Barnebey-Cheney Co.). From September 1976 to December 1977, 21 runs of 99 Mo production involving airborne radioiodine were carried out. The ventilation system was operated continuously for the whole 15 months period; variation in removal efficiency of airborne radioiodine from the exhaust air stream was observed. In the runs valuable experiences were gained in operation and maintenance of the ventilation system including activated charcoal filter and health-physics management of such facility. Following are the results: (1) Airborne radioiodine from 99 Mo production apparatus is reduced to 10 -3 % of the original quantity. (2) When the ventilation system is operated at a maximum air flow rate through the filter, the average efficiency during 15 months is over 98%. (3) Airborne radioiodine released from 99 Mo production apparatus to the ventilation system is less than 5% particulate iodine and alkyl iodines and more than 95% inorganic iodine. (4) Airborne radioiodine released from the stack is less than 28 μCi/run, which is below the limit in regulations on Radioisotope Production Laboratory. (auth.)

  20. Analysis of MoDOT communication and outreach effectiveness

    Science.gov (United States)

    2008-07-01

    Personal interviews were held with MoDOT personnel to assess MoDOTs current communication practices and existing customer segmentation practices. Focus groups were then held to help gauge the effectiveness of existing communication practices and t...

  1. Fixation Of Mo In Uranium Leach Liquor By Activated Carbon

    International Nuclear Information System (INIS)

    Mainar, S.; Guswita, A.; Erni, R.A.; Susilaningtyas

    1996-01-01

    The use of activated carbon for Mo fixation by bulk system is reported. Several factors influencing the fixation process were examined, including contact time, carbon particle size, carbon porosity and the effect of other elements present in Mo containing solutions. Experimental data showed that an adsorption equilibrium of Mo on of activated carbon and 0,85 to 1,18 mm of carbon particle size under forced-convection mass transfer in 100 ml solution that contains + 0,56 m mol of Mo and +. 0,25 m mol Of U was reached after 6 hours period. Under those conditions, about 0,50 m mol of Mo and 0,026 m mol of U were adsorbed into carbon. High concentration of rare earth elements decreased Mo adsorption, hence, the use of activated carbon was not effective to separate Mo from the digestion liquor of Rirang are where Mo was adsorbed, into the carbon + 34,5 %

  2. X-ray fluorescence analysis of Fe - Ni - Mo systems

    International Nuclear Information System (INIS)

    Belyaev, E.E.; Ershov, A.V.; Mashin, A.I.; Mashin, N.I.; Rudnevskij, N.K.

    1998-01-01

    Procedures for the X-ray fluorescence determination of the composition and thickness of Fe - Ni - Mo thin films and the concentration of elements in thick films of the Fe - Ni - Mo alloy are developed [ru

  3. Interdiffusion between U(Mo,Pt) or U(Mo,Zr) and Al or Al A356 alloy

    International Nuclear Information System (INIS)

    Komar Varela, C.; Mirandou, M.; Arico, S.; Balart, S.; Gribaudo, L.

    2009-01-01

    Solid state reactions in chemical diffusion couples U-7 wt.%Mo-0.9 wt.%Pt/Al at 580 deg. C and U-7 wt.%Mo-0.9 wt.%Pt/Al A356 alloy, U-7 wt.%Mo-1 wt.%Zr/Al and U-7 wt.%Mo-1 wt.%Zr/Al A356 alloy at 550 deg. C were characterized. Results were obtained from optical and scanning electron microscopy, electron probe microanalysis and X-ray diffraction. The UAl 3, UAl 4 and Al 20 Mo 2 U phases were identified in the interaction layers of γU(Mo,Pt)/Al and γU(Mo,Zr)/Al diffusion couples. Al 43 Mo 4 U 6 ternary compound was also identified in γU(Mo,Zr)/Al due to the decomposition of γU(Mo,Zr) phase. The U(Al,Si) 3 and U 3 Si 5 phases were identified in the interaction layers of γU(Mo,Pt)/Al A356 and γU(Mo,Zr)/Al A356 diffusion couples. These phases are formed due to the migration of Si to the interaction layer. In the diffusion couple U(Mo,Zr)/Al A356, Zr 5 Al 3 phase was also identified in the interaction layer. The use of synchrotron radiation at Brazilian Synchrotron Light Laboratory (LNLS, CNPq, Campinas, Brazil) was necessary to achieve a complete crystallographic characterization.

  4. Transfer matrix approach to electron transport in monolayer MoS2/MoO x heterostructures

    Science.gov (United States)

    Li, Gen

    2018-05-01

    Oxygen plasma treatment can introduce oxidation into monolayer MoS2 to transfer MoS2 into MoO x , causing the formation of MoS2/MoO x heterostructures. We find the MoS2/MoO x heterostructures have the similar geometry compared with GaAs/Ga1‑x Al x As semiconductor superlattice. Thus, We employ the established transfer matrix method to analyse the electron transport in the MoS2/MoO x heterostructures with double-well and step-well geometries. We also considere the coupling between transverse and longitudinal kinetic energy because the electron effective mass changes spatially in the MoS2/MoO x heterostructures. We find the resonant peaks show red shift with the increasing of transverse momentum, which is similar to the previous work studying the transverse-momentum-dependent transmission in GaAs/Ga1‑x Al x As double-barrier structure. We find electric field can enhance the magnitude of peaks and intensify the coupling between longitudinal and transverse momentums. Moreover, higher bias is applied to optimize resonant tunnelling condition to show negative differential effect can be observed in the MoS2/MoO x system.

  5. Effect of Mo/B atomic ratio on the properties of Mo2NiB2-based cermets

    International Nuclear Information System (INIS)

    Xie, Lang; Li, XiaoBo; Zhang, Dan; Yi, Li; Gao, XiaoQing; Xiangtan Univ.

    2015-01-01

    Using three elementary substances, Mo, Ni, and amorphous B as raw materials, four series of Mo 2 NiB 2 -based cermets with the Mo/B atomic ratio ranging from 0.9 to 1.2 were successfully prepared via reaction sintering. The effect of Mo/B atomic ratio on the microstructure and properties was studied for the cermets. The results indicate that there is a strong correlation between the Mo/B atomic ratio and properties. The transverse rupture strength of the cermets increases with an increase in Mo/B ratio and shows a maximum value of 1 872 MPa at an Mo/B atomic ratio of 1.1 and then decreases with increasing Mo/B atomic ratio. The hardness and the corrosion resistance of the cermets increase monotonically with an increase in Mo/B atomic ratio. In Mo-rich cermets with an atomic ratio of Mo/B above 1.1, a small amount Ni-Mo intermetallic compound is found precipitated at the interface of Mo 2 NiB 2 grains.

  6. Phase transitions in alloys of the Ni-Mo system

    International Nuclear Information System (INIS)

    Ustinovshikov, Y.; Shabanova, I.

    2011-01-01

    Graphical abstract: The structure of Ni-20 at.% Mo and Ni-25 at.% Mo alloys was studied by methods of TEM and XPS. It is shown that at high temperatures the tendency toward phase separation takes place in the alloys and crystalline bcc Mo particles precipitate in the liquid solution. At 900 deg. C and below, the tendency toward ordering leads to the dissolution of Mo particles and precipitation of the particles of Ni 3 Mo, Ni 2 Mo or Ni 4 Mo chemical compounds. Highlights: → 'Chemical' phase transition 'ordering-phase separation' is first discovered in alloys of the Ni-Mo system. → It is first shown that the phase separation in the alloys studied begins at temperatures above the liquidus one. → The formation of Ni 3 Mo from A1 has gone through the intervening stage of the Ni 4 Mo and Ni 2 Mo coexistence. - Abstract: The structure of Ni-20 at.% Mo and Ni-25 at.% Mo alloys heat treated at different temperatures was studied by the method of transmission electron microscopy. X-ray photoelectron spectroscopy was used to detect the sign of the chemical interaction between Ni and Mo atoms at different temperatures. It is shown that at high temperatures the tendency toward phase separation takes place. The system of additional reflections at positions {1 1/2 0} on the electron diffraction patterns testifies that the precipitation of crystalline bcc Mo particles begins in the liquid solution. At 900 deg. C and below, the tendency toward ordering leads to the precipitation of the particles of the chemical compounds. A body-centered tetragonal phase Ni 4 Mo (D1 a ) is formed in the Ni-20 at.% Mo alloy. In the Ni-25 at.% Mo alloy, the formation of the Ni 3 Mo (D0 22 ) chemical compound from the A1 solid solution has gone through the intervening stage of the Ni 4 Mo (D1 a ) and Ni 2 Mo (Pt 2 Mo) formation.

  7. Influence of the size of MoS{sub 2} particles supported on alumina on the activity and the selectivity of hydro-treating reactions; Influence de la taille des particules de MoS{sub 2} supportees sur alumine sur l`activite et la selectivite des reactions d`hydrotraitement

    Energy Technology Data Exchange (ETDEWEB)

    Da Silva, P.

    1998-01-14

    The influence of the size of molybdenum disulfide particles supported on alumina on hydro-desulfurization and hydrogenation reactions has been studied. Different methods have been used to modify the length and the stacking of MoS{sub 2} slabs. MoS{sub 2} slab length measured from Electron Microscopy is increased from 20 to 40 angstroms by increasing loading from 4 to 22 % pds in Mo. These catalysts have been tested and characterised by different techniques. Increasing the sulfiding temperature also leads to an increase in MoS{sub 2} slab length. Bulk MoS{sub 2} and MoS{sub 2}/Al{sub 2}O{sub 3} showing high MoS{sub 2} slab stacking have been prepared from ammonium tetra-thio-molybdate salt. Sulfide phase characterisation results and an hexagonal MoS{sub 2} slab model have been used to estimate a number of edge and corner Mo ions. Catalysts have been characterised by Temperature Programmed Reduction and by CO adsorption at low temperatures (infra-red). Edge and corner Mo ions site densities determined by these techniques are linearly correlated with the number of sites calculated from the hexagonal MoS{sub 2} slab model and the characterisation results. Catalysts have been tested at 350 deg. C, under a total pressure of 4,5 MPa for dibenzo-thiophene hydro-desulfurization and 1-methyl naphthalene hydrogenation in the presence of nitrogen compounds. Linear correlations have been obtained between the catalytic activity and the number of edge and corner Mo sites estimated from different techniques. These results obtained from independent techniques clearly show the essential part played by edge and corner sites on catalytic activity. MoS{sub 2} slab length has no influence on the selectivity hydrogenation/hydro-desulfurization of tested catalysts. On the other side, the increase o stacking of MoS{sub 2} slab un-favours the hydrogenation reaction when compared to the hydro-desulfurization reaction. (author) 169 refs.

  8. Synthesis and characterization of MoS{sub 2} cocatalysts for H{sub 2}-generation; Darstellung und Charakterisierung von MoS{sub 2} Cokatalysatoren fuer die H{sub 2}-Entwicklung

    Energy Technology Data Exchange (ETDEWEB)

    Djamil, John

    2015-10-05

    As a suitable alternative to fossil fuels and nuclear energy light induced generation of H{sub 2} represents a trend-setting research area in the field of regenerative energy. Therefore photocatalysts, which provide surface sites for light driven reduction of protons to H{sub 2}, are being investigated and developed. Enhancement of photocatalytic systems can be achieved by the usage of cocatalysts, which simplify charge separation and provide additional catalytic active sites as well. In the present work cocatalysts based on MoS{sub 2} were synthesized, characterized and investigated for photocatalytic H{sub 2} generation. MoS{sub 2} cocatalysts were synthesized by thermal decomposition of tetraalkyl ammonium thiomolybdates with varying carbon content in the organic cation and by mechanical treatment of bulk MoS{sub 2} respectively. Hence, samples with differing chemical composition as well as structural properties were obtained. Based on these findings relations between chemical composition, microstructural properties and photocatalytic activity were supposed to reveal. Nanoparticulate molybdenum sulfides resulted in both synthetic routes. Thermal decomposition of tetraalkyl ammonium thiomolybdates yielded in carbon containing molybdenum sulfide nanocomposites, in which carbon and sulfur content and the crystallite size as well varied with the carbon amount in the precursor. Additionally a composite with a significant enlarged interlayer distance between the MoS{sub 2} layers was obtained by thermal decomposition of (Ph{sub 4}P){sub 2}MoS{sub 4}. Such interlayer expansion could be explained by an insertion of in situ generated Ph{sub 3}PS- and (Ph{sub 4}P){sub 2}S-molecules between the MoS{sub 2} layers. While Ph{sub 3}PS-molecules were bonded through Mo-S-bonds to the MoS{sub 2} layers, (Ph{sub 4}P){sub 2}S-molecules remained free in rotation between MoS{sub 2} sheets. The mechanical treatment of bulk MoS{sub 2} resulted in different-sized MoS{sub 2

  9. Interstitial Mo-Assisted Photovoltaic Effect in Multilayer MoSe2 Phototransistors.

    Science.gov (United States)

    Kim, Sunkook; Maassen, Jesse; Lee, Jiyoul; Kim, Seung Min; Han, Gyuchull; Kwon, Junyeon; Hong, Seongin; Park, Jozeph; Liu, Na; Park, Yun Chang; Omkaram, Inturu; Rhyee, Jong-Soo; Hong, Young Ki; Yoon, Youngki

    2018-03-01

    Thin-film transistors (TFTs) based on multilayer molybdenum diselenide (MoSe 2 ) synthesized by modified atmospheric pressure chemical vapor deposition (APCVD) exhibit outstanding photoresponsivity (103.1 A W -1 ), while it is generally believed that optical response of multilayer transition metal dichalcogenides (TMDs) is significantly limited due to their indirect bandgap and inefficient photoexcitation process. Here, the fundamental origin of such a high photoresponsivity in the synthesized multilayer MoSe 2 TFTs is sought. A unique structural characteristic of the APCVD-grown MoSe 2 is observed, in which interstitial Mo atoms exist between basal planes, unlike usual 2H phase TMDs. Density functional theory calculations and photoinduced transfer characteristics reveal that such interstitial Mo atoms form photoreactive electronic states in the bandgap. Models indicate that huge photoamplification is attributed to trapped holes in subgap states, resulting in a significant photovoltaic effect. In this study, the fundamental origin of high responsivity with synthetic MoSe 2 phototransistors is identified, suggesting a novel route to high-performance, multifunctional 2D material devices for future wearable sensor applications. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  10. Electron microscopy studies on MoS2 nanocrystals

    DEFF Research Database (Denmark)

    Hansen, Lars Pilsgaard

    Industrial-style MoS2-based hydrotreating catalysts are studied using electron microscopy. The MoS2 nanostructures are imaged with single-atom sensitivity to reveal the catalytically important edge structures. Furthermore, the in-situ formation of MoS2 crystals is imaged for the first time....

  11. Ternary alloying study of MoSi2

    International Nuclear Information System (INIS)

    Yi, D.; Li, C.; Akselsen, O.M.; Ulvensoen, J.H.

    1998-01-01

    Ternary alloying of MoSi 2 with adding a series of transition elements was investigated by X-ray diffraction (XRD), scanning electron microscopy, transmission electron microscopy (TEM), and energy dispersive spectroscopy (EDS). Iron, Co, Ni, Cr, V, Ti, and Nb were chosen as alloying elements according to the AB 2 structure map or the atomic size factor. The studied MoSi 2 base alloys were prepared by the arc melting process from high-purity metals. The EDS analysis showed that Fe, Co, and Ni have no solid solubility in as-cast MoSi 2 , while Cr, V, Ti, and Nb exhibit limited solid solubilities, which were determined to be 1.4 ± 0.7, 1.4 ± 0.4, 0.4 ± 0.1, and 0.8 ± 0.1. Microstructural characterization indicated that Mo-Si-M VIII (M VIII = Fe, Co, Ni) and Mo-Si-Cr alloys have a two-phase as-cast microstructure, i.e., MoSi 2 matrix and the second-phase FeSi 2 , CoSi, NiSi 2 , and CrSi 2 , respectively. In as-cast Mo-Si-V, Mo-Si-Ti, and Mo-Si-Nb alloys, besides MoSi 2 and C40 phases, the third phases were observed, which have been identified to be (Mo, V) 5 Si 3 , TiSi 2 , and (Mo, Nb) 5 Si 3

  12. 76 FR 43576 - Amendment of Class E Airspace; Hannibal, MO

    Science.gov (United States)

    2011-07-21

    ...-0046; Airspace Docket No. 11-ACE-1] Amendment of Class E Airspace; Hannibal, MO AGENCY: Federal... Hannibal, MO. Decommissioning of the Hannibal non-directional beacon (NDB) at Hannibal Regional Airport, Hannibal, MO, has made this action necessary to enhance the safety and management of Instrument Flight Rule...

  13. Demonstration of resonant photopumping of Mo VII by Mo XII for a VUV laser near 600 Angstrom

    International Nuclear Information System (INIS)

    Ilcisin, K.J.; Aumayr, F.; Schwob, J.L.; Suckewer, S.

    1993-09-01

    We present data of experiments on the resonant photopumping of Mo VII by Mo XII as a method of generating a coherent VUV source near 600 angstrom. The experiment is based on a scheme proposed by Feldman and Reader in which the 4p 6 -- 4p 5 6s transition in Mo VII in resonantly photopumped by the 5s 2 S 1/2 -- 4p 2 P 1/2 transition in Mo XII. Results of the laser produced plasma experiments show the successful enhancement of the population of the Mo VII 4p 5 6s upper lasing level when pumped by an adjacent Mo VII plasma. No enhancement was seen in a control experiment where the Mo VII plasma was pumped by a Zr X plasma. Improvements of the intensity of the Mo XII pump source, achieved using an additional pump laser, lead to the generation of a population inversion for the VUV transition

  14. Effect of phosphorus addition on the hydrotreating activity of NiMo/Al{sub 2}O{sub 3} carbide catalyst

    Energy Technology Data Exchange (ETDEWEB)

    Sundaramurthy, V.; Dalai, A.K. [Catalysis and Chemical Reaction Engineering Laboratories, Department of Chemical Engineering, University of Saskatchewan, Saskatoon, SK S7N 5A9 (Canada); Adjaye, J. [Syncrude Edmonton Research Centre, Edmonton, AB T6N 1H4 (Canada)

    2007-07-30

    A series of phosphorus promoted {gamma}-Al{sub 2}O{sub 3} supported NiMo carbide catalysts with 0-4.5 wt.% P, 13 wt.% Mo and 2.5 wt.% Ni were synthesized and characterized by elemental analysis, pulsed CO chemisorption, BET surface area measurement, X-ray diffraction, near-edge X-ray absorption fine structure, DRIFT spectroscopy of CO adsorption and H{sub 2} temperature programmed reduction. X-ray diffraction patterns and CO uptake showed the P addition to NiMo/{gamma}-Al{sub 2}O{sub 3} carbide, increased the dispersion of {beta}-Mo{sub 2}C particles. DRIFT spectra of adsorbed CO revealed that P addition to NiMo/{gamma}-Al{sub 2}O{sub 3} carbide catalyst not only increases the dispersion of Ni-Mo carbide phase, but also changes the nature of surface active sites. The hydrodenitrogenation (HDN) and hydrodesulfurization (HDS) activities of these P promoted NiMo/{gamma}-Al{sub 2}O{sub 3} carbide catalysts were performed in trickle bed reactor using light gas oil (LGO) derived from Athabasca bitumen and model feed containing quinoline and dibenzothiophene at industrial conditions. The P added NiMo/{gamma}-Al{sub 2}O{sub 3} carbide catalysts showed enhanced HDN activity compared to the NiMo/{gamma}-Al{sub 2}O{sub 3} catalysts with both the feed stocks. The P had almost no influence on the HDS activity of NiMo/{gamma}-Al{sub 2}O{sub 3} carbide with LGO and dibenzothiophene. P addition to NiMo/{gamma}-Al{sub 2}O{sub 3} carbide accelerated C-N bond breaking and thus increased the HDN activity. (author)

  15. Controllable synthesis of carbon nanotubes by changing the Mo content in bimetallic Fe-Mo/MgO catalyst

    International Nuclear Information System (INIS)

    Xu Xiangju; Huang Shaoming; Yang Zhi; Zou Chao; Jiang Junfan; Shang Zhijie

    2011-01-01

    Research highlights: → Increasing the Mo content in the Fe-Mo/MgO catalysts resulted in an increase in wall number, diameter and growth yield of carbon nanotubes. → The Fe interacts with MgO to form complex (MgO) x (FeO) 1-x (0 4 and relative large metal Mo particles can be generated after reduction. → The avalanche-like reduction of MgMoO 4 makes the catalyst particles to be small thus enhances the utilize efficiency of Fe nanoparticles. - Abstract: A series of Fe-Mo/MgO catalysts with different Mo content were prepared by combustion method and used as catalysts for carbon nanotube (CNT) growth. Transmission electron microscopy studies of the nanotubes show that the number of the CNT walls and the CNT diameters increase with the increasing of Mo content in the bimetallic catalyst. The growth yield determined by thermogravimetric analysis also follows the trend: the higher the Mo content, the higher the yield of the CNTs. However, the increase of Mo content leads to the lower degree of graphitization of CNTs. A comparative study on the morphology and catalytic functions of Fe/MgO, Mo/MgO and Fe-Mo/MgO catalysts was carried out by scanning electron microscopy and X-ray diffraction. It is found that the Fe interacts with MgO to form complexes and is then dispersed into the MgO support uniformly, resulting in very small Fe nanoparticles after reduction. The Mo interacts with MgO to form stoichiometry compound MgMoO 4 and relative large metal Mo particles can be generated after reduction. High yield CNTs with small diameter can be generated from Fe-Mo/MgO because the avalanche-like reduction of MgMoO 4 makes the catalyst particles to be small thus enhances the utilize efficiency of Fe nanoparticles.

  16. 2D nanosheet molybdenum disulphide (MoS2) modified electrodes explored towards the hydrogen evolution reaction

    Science.gov (United States)

    Rowley-Neale, Samuel J.; Brownson, Dale A. C.; Smith, Graham C.; Sawtell, David A. G.; Kelly, Peter J.; Banks, Craig E.

    2015-10-01

    We explore the use of two-dimensional (2D) MoS2 nanosheets as an electrocatalyst for the Hydrogen Evolution Reaction (HER). Using four commonly employed commercially available carbon based electrode support materials, namely edge plane pyrolytic graphite (EPPG), glassy carbon (GC), boron-doped diamond (BDD) and screen-printed graphite electrodes (SPE), we critically evaluate the reported electrocatalytic performance of unmodified and MoS2 modified electrodes towards the HER. Surprisingly, current literature focuses almost exclusively on the use of GC as an underlying support electrode upon which HER materials are immobilised. 2D MoS2 nanosheet modified electrodes are found to exhibit a coverage dependant electrocatalytic effect towards the HER. Modification of the supporting electrode surface with an optimal mass of 2D MoS2 nanosheets results in a lowering of the HER onset potential by ca. 0.33, 0.57, 0.29 and 0.31 V at EPPG, GC, SPE and BDD electrodes compared to their unmodified counterparts respectively. The lowering of the HER onset potential is associated with each supporting electrode's individual electron transfer kinetics/properties and is thus distinct. The effect of MoS2 coverage is also explored. We reveal that its ability to catalyse the HER is dependent on the mass deposited until a critical mass of 2D MoS2 nanosheets is achieved, after which its electrocatalytic benefits and/or surface stability curtail. The active surface site density and turn over frequency for the 2D MoS2 nanosheets is determined, characterised and found to be dependent on both the coverage of 2D MoS2 nanosheets and the underlying/supporting substrate. This work is essential for those designing, fabricating and consequently electrochemically testing 2D nanosheet materials for the HER.We explore the use of two-dimensional (2D) MoS2 nanosheets as an electrocatalyst for the Hydrogen Evolution Reaction (HER). Using four commonly employed commercially available carbon based electrode

  17. Synthesis, structure and magnetic properties of the one-dimensional bimetallic oxide [Cu(terpy)Mo2O7

    International Nuclear Information System (INIS)

    Burkholder, Eric; Gabriel Armatas, N.; Golub, Vladimir; O'Connor, Charles J.; Zubieta, Jon

    2005-01-01

    The hydrothermal reaction of Cu(CH 3 CO 2 ) 2 .H 2 O, Na 2 MoO 4 and terpyridine at 140 deg. C for 48 h yields [Cu(terpy)Mo 2 O 7 ] (1), a bimetallic one-dimensional oxide. The structure consists of ruffled chains of edge- and corner-sharing {MoO 5 } square pyramids, decorated with {CuN 3 O 2 } '4+1' axially distorted square pyramids. The Cu(II) polyhedra are disposed so as to produce an alternating pattern of Cu-Cu distances across the {Mo 2 O 2 } rhombi of the chain of 6.25 and 6.82 A. This structural feature is reflected in the magnetic properties which are characteristic of a dimer rather than a linear chain, consistent with an alternating antiferromagnetic Heisenberg chain. -- Graphical abstract: Hydrothermal synthesis provided the one-dimensional bimetallic oxide [Cu(terpy)Mo 2 O 7 ], a material consisting of a zig-zag {Mo 2 O 7 } n 2 n - chain, decorated with {Cu(terpy)} 2+ groups exhibiting alternating short-long Cu-Cu distances between copper sites

  18. Tunneling microscopy of 2H-MoS2: A compound semiconductor surface

    OpenAIRE

    Weimer, M.; Kramar, J.; Bai, C.; Baldeschwieler, J. D.

    1988-01-01

    Molybdenum disulfide, a layered semiconductor, is an interesting material to study with the tunneling microscope because two structurally and electronically different atomic species may be probed at its surface. We report on a vacuum scanning tunneling microscopy study of 2H-MoS2. Atomic resolution topographs and current images show the symmetry of the surface unit cell and clearly reveal two distinct atomic sites in agreement with the well-known x-ray crystal structure.

  19. Site Features

    Data.gov (United States)

    U.S. Environmental Protection Agency — This dataset consists of various site features from multiple Superfund sites in U.S. EPA Region 8. These data were acquired from multiple sources at different times...

  20. A systematic first principle method to study magnetic properties of FeMo, CoMo and NiMo

    International Nuclear Information System (INIS)

    Bhattacharjee, Ashis Kumar; Touheed, Md.; Ahmed, Mesbahuddin; Halder, A.; Mookerjee, A.

    2003-06-01

    We use the first principle TB-LMTO (Tight-Binding Linear Muffin Tin Orbital) method combined with the ASM (Augmented Space Method) to take care of disorder beyond the mean field (CPA - Cohetent Potential Approximation) approximation. We analyze binary alloys between magnetic transition metals Fe, Co, Ni and non-magnetic Mo to find out the effect of disorder on electronic structure and consequently magnetic properties of the alloys. (author)

  1. High pressure effect on MoS2 and MoSe2 single crystals grown by ...

    Indian Academy of Sciences (India)

    Unknown

    tetrahedral anvil apparatus up to 5 GPa. In this paper we report room temperature resistance mea- surements as a function of pressure on MoS2 and MoSe2 single crystals. In each case the resistance decreases un- der pressure due to an increase in the carrier concentration. 2. Experimental. Single crystals of MoS2 and ...

  2. Study of the 99Mo production effect on some of research reactor core specification using DARE-P

    International Nuclear Information System (INIS)

    Khamis, I.; Ezzuddin, H.

    2006-12-01

    In this study, the major basis of Mo- production using irradiation method for targets of enriched uranium is presented. Factors such as neutron flux, time of irradiation, and enrichment ration have also been analyzed. It was concluded that Mo-production requires nuclear reactors having high neutron fluxes, and that raising the neutron flux results in increasing the Mo-activities especially at fluxes that are higher than 10 14 n.cm -2 .s -1 . Time of irradiation was found to have adverse i.e. positive and negative effects on Mo activity. Therefore, the optimum irradiation time should be determined. The Mo-production was modeled through a set of differential equation with respect to time with aim to study the most influencing factors on Mo production, especially the effects of neutron flux and time of irradiation. In addition, the mass of plutonium produced during the irradiation of low enriched uranium has been evaluated. An investigation as to whether 99 Mo could be produced in the Syrian MNSR has been made. The result shows that a specific activity of 0.3773 Ci/g for 99 Mo could be produced. In future, a nuclear research reactor having neutron flux of 10 14 n.cm -2 .s -1 and 8 irradiation sites suitable for targets of 5 g of 235 U could produce about 5000 Ci on a weekly. Calculation and simulation have been achieved using the already developed DARE-P simulation language which was modified and improved in the nuclear Engineering Department in the Atomic Energy Commission of Syria. (author)

  3. Synthesis and characterization of hierarchical Bi2MoO6/Polyaniline nanocomposite for all-solid-state asymmetric supercapacitor

    International Nuclear Information System (INIS)

    Wu, Fangsheng; Wang, Xiaohong; Zheng, Wanru; Gao, Haiwen; Hao, Chen; Ge, Cunwang

    2017-01-01

    Bi 2 MoO 6 /Polyaniline (PANI) hybrid nanocomposite with enhanced specific capacity and rate performance was synthesized by compositing Bi 2 MoO 6 with the PANI layer using sodium lignosulphonate (SLS) as a dopant through a simple chemical polymerization. The Bi 2 MoO 6 /PANI (BMP) nanocomposite affords a large reaction surface area, an excellent structural stability, a large number of active sites, good strain accommodation, and fast electron and ion transportation compared with pure Bi 2 MoO 6 , which all are beneficial for improving the electrochemical performance. Hence, the Bi 2 MoO 6 /PANI electrode with 0.15 g Bi 2 MoO 6 (BMP-2) shows a high specific capacitance of 826 F g −1 at a current density of 1 A g −1 and capacitance retention of 75.5% after 3000 cycles at a current density of 5 A g −1 , which is higher than pristine Bi 2 MoO 6 and other electrodes. In addition, an all-solid-state asymmetric supercapacitor (ASC) fabricated by the BMP-2 electrode and activated carbon (AC) displays a high specific capacitance of 90.0 F g −1 and a high energy density of 31.9 Wh kg −1 . Moreover, the BMP-2//AC ASC device exhibits high cycle stability, and 86.5% of its initial capacitance is retained after continuous 6000 cycles. Therefore, these results will promote a promising potential application of the Bi 2 MoO 6 /PANI nanocomposite for use as an effective electrode material in supercapacitors.

  4. Indented Cu2MoS4 nanosheets with enhanced electrocatalytic and photocatalytic activities realized through edge engineering.

    Science.gov (United States)

    Chen, Bang-Bao; Ma, De-Kun; Ke, Qing-Ping; Chen, Wei; Huang, Shao-Ming

    2016-03-07

    Edges often play a role as active centers for catalytic reactions in some nanomaterials. Therefore it is highly desirable to enhance catalytic activity of a material through modulating the microstructure of the edges. However, the study associated with edge engineering is less investigated and still at its preliminary stage. Here we report that Cu2MoS4 nanosheets with indented edges can be fabricated through a simple chemical etching route at room temperature, using Cu2MoS4 nanosheets with flat ones as sacrifice templates. Taking the electrocatalytic hydrogen evolution reaction (HER), photocatalytic degradation of rhodamine B (RhB) and conversion of benzyl alcohol as examples, the catalytic activity of Cu2MoS4 indented nanosheets (INSs) obtained through edge engineering was comparatively studied with those of Cu2MoS4 flat nanosheets (FNSs) without any modification. The photocatalytic tests revealed that the catalytic active sites of Cu2MoS4 nanosheets were associated with their edges rather than basal planes. Cu2MoS4 INSs were endowed with larger electrochemically active surface area (ECSA), more active edges and better hydrophilicity through the edge engineering. As a result, the as-fabricated Cu2MoS4 INSs exhibited an excellent HER activity with a small Tafel slope of 77 mV dec(-1), which is among the best records for Cu2MoS4 catalysts. The present work demonstrated the validity of adjusting catalytic activity of the material through edge engineering and provided a new strategy for designing and developing highly efficient catalysts.

  5. Solute grain boundary segregation during high temperature plastic deformation in a Cr-Mo low alloy steel

    International Nuclear Information System (INIS)

    Chen, X.-M.; Song, S.-H.; Weng, L.-Q.; Liu, S.-J.

    2011-01-01

    Highlights: → The segregation of P and Mo is evidently enhanced by plastic deformation. → The boundary concentrations of P and Mo increase with increasing strain. → A model with consideration of site competition in grain boundary segregation in a ternary system is developed. → Model predictions show a reasonable agreement with the observations. - Abstract: Grain boundary segregation of Cr, Mo and P to austenite grain boundaries in a P-doped 1Cr0.5Mo steel is examined using field emission gun scanning transmission electron microscopy for the specimens undeformed and deformed by 10% with a strain rate of 2 x 10 -3 s -1 at 900 deg. C, and subsequently water quenched to room temperature. Before deformation, there is some segregation for Mo and P, but the segregation is considerably increased after deformation. The segregation of Cr is very small and there is no apparent difference between the undeformed and deformed specimens. Since the thermal equilibrium segregation has been attained prior to deformation, the segregation produced during deformation has a non-equilibrium characteristic. A theoretical model with consideration of site competition in grain boundary segregation between two solutes in a ternary alloy is developed to explain the experimental results. Model predictions are made, which show a reasonable agreement with the observations.

  6. Site decontamination

    International Nuclear Information System (INIS)

    Bicker, A.E.

    1981-01-01

    Among the several DOE sites that have been radiologically decontaminated under the auspices of the Nevada Operations Office are three whose physical characteristics are unique. These are the Tatum Dome Test Site (TDTS) near Hattiesburg, Mississippi; a location of mountainous terrain (Pahute Mesa) on the Nevada Test Site; and the GNOME site near Carlsbad, New Mexico. In each case the contamination, the terrain, and the climate conditions were different. This presentation includes a brief description of each site, the methods used to perform radiological surveys, the logistics required to support the decontamination (including health physics and sample analysis), and the specific techniques used to reduce or remove the contamination

  7. Study of the activation of targets containing Mo for the production of 99Mo by the 98Mo(n,γ)99Mo nuclear reaction and the behaviour of the radionuclidic impurities of the process

    International Nuclear Information System (INIS)

    Nieto, Renata Correa

    1998-01-01

    The most used radioisotope in Nuclear Medicine is 99m Tc, in the 99 Mo- 99m Tc generator form. 99 Mo can be produced by several nuclear reactions in reactors and cyclotrons. The cyclotron production is not technically and economically viable. The production in the reactor can be done in two different ways: by the fission of 235 U and by 98 Mo(n,γ) 99 Mo reaction. A project for the production of 99 Mo by the activation of Mo and the preparation of gel type generators is under development at the 'Instituto de Pesquisas Energeticas e Nucleares'. In the present work, the radionuclidic impurities produced in the activation of MOO 3 and MoZr gel were evaluated, and these represent the two possible ways of preparing the gel of MoZr. A target of metallic Mo was also studied. The radionuclidic purity of 99m Tc eluted from generators prepared in these ways was also measured and compared with the generators prepared with fission 99 Mo. The results showed that, by all the parameters analysed, the best way of preparing the generator of 99 Mo - 99m Tc is the irradiation of MOO 3 and further preparation of the gel and the generators. (author)

  8. Hydrothermal fabrication of few-layer MoS2 nanosheets within nanopores on TiO2 derived from MIL-125(Ti) for efficient photocatalytic H2 evolution

    Science.gov (United States)

    Ye, Fei; Li, Houfen; Yu, Hongtao; Chen, Shuo; Quan, Xie

    2017-12-01

    Protons tend to bond strongly with unsaturated-coordinate S element located at the edge of nano-MoS2 and are consequently reduced to H2. Therefore, increasing the active S atoms quantity will be a feasible approach to enhance hydrogen evolution. Herein we developed a porous TiO2 derived from metal organic frameworks (MOFs) as scaffold to restrict the growth and inhibit the aggregation of MoS2 nanosheets. As a result, the thickness of the prepared MoS2 nanosheets was less than 3 nm (1-4 layers), with more edges and active S atoms being exposed. This few-layer MoS2-porous TiO2 exhibits a H2 evolution rate of 897.5 μmol h-1 g-1, which is nearly twice as much as free-stand MoS2 nanosheets and twenty times more than physical mixture of MoS2 with porous TiO2. The high performance is attributed to that more active edge sites in few-layer MoS2-porous TiO2 are exposed than pure MoS2. This work provides a new method to construct MOFs derived porous structures for controlling MoS2 to expose active sites for HER.

  9. Holey Reduced Graphene Oxide Coupled with an Mo2 N-Mo2 C Heterojunction for Efficient Hydrogen Evolution.

    Science.gov (United States)

    Yan, Haijing; Xie, Ying; Jiao, Yanqing; Wu, Aiping; Tian, Chungui; Zhang, Xiaomeng; Wang, Lei; Fu, Honggang

    2018-01-01

    An in situ catalytic etching strategy is developed to fabricate holey reduced graphene oxide along with simultaneous coupling with a small-sized Mo 2 N-Mo 2 C heterojunction (Mo 2 N-Mo 2 C/HGr). The method includes the first immobilization of H 3 PMo 12 O 40 (PMo 12 ) clusters on graphite oxide (GO), followed by calcination in air and NH 3 to form Mo 2 N-Mo 2 C/HGr. PMo 12 not only acts as the Mo heterojunction source, but also provides the Mo species that can in situ catalyze the decomposition of adjacent reduced GO to form HGr, while the released gas (CO) and introduced NH 3 simultaneously react with the Mo species to form an Mo 2 N-Mo 2 C heterojunction on HGr. The hybrid exhibits superior activity towards the hydrogen evolution reaction with low onset potentials of 11 mV (0.5 m H 2 SO 4 ) and 18 mV (1 m KOH) as well as remarkable stability. The activity in alkaline media is also superior to Pt/C at large current densities (>88 mA cm -2 ). The good activity of Mo 2 N-Mo 2 C/HGr is ascribed to its small size, the heterojunction of Mo 2 N-Mo 2 C, and the good charge/mass-transfer ability of HGr, as supported by a series of experiments and theoretical calculations. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  10. Theoretical calculations of valence states in Fe-Mo compounds

    International Nuclear Information System (INIS)

    Estrada, F; Navarro, O; Noverola, H; Suárez, J R; Avignon, M

    2014-01-01

    The half-metallic ferromagnetic double perovskite compound Sr 2 FeMoO 6 is considered as an important material for spintronic applications. It appears to be fundamental to understand the role of electronic parameters controlling the half-metallic ground state. Fe-Mo double perovskites usually present some degree of Fe/Mo disorder which generally increases with doping. In this work, we study the valence states of Fe-Mo cations in the off-stoichiometric system Sr 2 Fe 1+x Mo 1−x O 6 (−1 ≤ x ≤ 1/3) with disorder. Our results for Fe and Mo valence states are obtained using the Green functions and the renormalization perturbation expansion method. The model is based on a correlated electron picture with localized Fe-spins and conduction Mo-electrons interacting with the local spins via a double-exchange-type mechanism

  11. Phase formation in the Li2MoO4-Rb2MoO4-Ln2(MoO4)3 systems and the properties of LiRbLn2(MoO4)4

    International Nuclear Information System (INIS)

    Basovich, O.M.; Khajkina, E.G.; Vasil'ev, E.V.; Frolov, A.M.

    1995-01-01

    Phase equilibria within subsolidus range of ternary salt systems Li 2 MoO 4 -Rb 2 MoO 4 -Ln 2 (MoO 4 ) 4 (Ln - Nd, Er) are analyzed. Formation of ternary molybdate LiRbNd 2 (MoO 4 ) 4 is proved along LiNd(MoO 4 ) 2 -RbNd(MoO 4 )-2 cross-section. Phase diagram of this cross-section is plotted. Similar compounds are synthesized for Ln = La-Eu. The parameters of their monoclinic elementary cells are determined. Luminescent properties of LiRbLa 2 (MoO 4 ) 4 -Nd 3+ are studied. 17 refs., 4 figs., 2 tabs

  12. Successful labeling of 99mTc-MDP using 99mTc separated from 99Mo produced by 100Mo(n,2n)99Mo

    International Nuclear Information System (INIS)

    Nagai, Yasuki; Hatsukawa, Yuichi; Kin, Tadahiro; Hashimoto, Kazuyuki; Motoishi, Shoji; Konno, Chikara; Ochiai, Kentaro; Takakura, Kosuke; Sato, Yuichi; Sato, Norihito; Ohta, Akio; Yamabayashi, Hisamichi; Tanase, Masakazu; Fujisaki, Saburo; Kawauchi, Yukimasa; Teranaka, Tomoyuki; Takeuchi, Nobuhiro; Igarashi, Takashi

    2011-01-01

    We have for the first time succeeded in separating 99m Tc from a MoO 3 sample irradiated with accelerator neutrons free from any radioactive impurities and in formulating 99m Tc-methylene diphosphonate ( 99 mTc-MDP). 99 Mo, the mother nuclide of 99m Tc, was produced by the 100 Mo(n,2n) 99 Mo reaction using about 14 MeV neutrons provided by the 3 H(d,n) 4 He reaction at the Fusion Neutronics Source of Japan Atomic Energy Agency. The 99m Tc was separated from 99 Mo by sublimation and its radionuclide purity was confirmed to be higher than 99.99% by γ-spectroscopy. The labeling efficiency of 99m Tc-MDP was shown to be higher than 99% by thin-layer chromatography. These values exceed the United States Pharmacopeia requirements for a fission product, 99 Mo. Consequently, a 99m Tc radiopharmaceutical preparation formed by using the mentioned 99 Mo can be a promising substitute for the fission product 99 Mo, which is currently produced using a highly enriched uranium target in aging research reactors. A longstanding problem to ensure a reliable and constant supply of 99 Mo in Japan can be partially mitigated. (author)

  13. Study of the 93Mo nucleus

    International Nuclear Information System (INIS)

    Mittal, V.K.; Avasthi, D.K.; Kumar, A; Govil, I.M.

    1981-01-01

    The level structure of 93 Mo has been studied through 93 Nb(p,nγ) reaction at incident proton energy of 4.2 MeV. Spin assignments and multipole mixing ratios for various levels and transitions have been deduced from the analysis of angular distributions of singles γ-ray spectra. Lifetimes of various levels have been obtained using Doppler Shift Attenuation (DSA) method. (author)

  14. MoS{sub 2} spaser

    Energy Technology Data Exchange (ETDEWEB)

    Jayasekara, Charith, E-mail: charith.jayasekara@monash.edu; Premaratne, Malin [Advanced Computing and Simulation Laboratory (A chi L), Department of Electrical and Computer Systems Engineering, Monash University, Clayton, Victoria 3800 (Australia); Gunapala, Sarath D. [Jet Propulsion Laboratory, California Institute of Technology, Pasadena, California 91109 (United States); Stockman, Mark I. [Department of Physics and Astronomy, Georgia State University, Atlanta, Georgia 30303 (United States)

    2016-04-07

    We present a comprehensive analysis of a spaser made of a circular shaped highly doped molybdenum disulfide (MoS{sub 2}) resonator. “Spaser” is an acronym for “surface plasmon amplification by stimulated emission of radiation”–a nanoscale source of surface plasmons generated by stimulated emission in a plasmonic resonator which receives energy nonradiatively. By considering localized surface plasmon modes, operation characteristics of the model are analysed, and tunability of the design is demonstrated. We find the optimum geometric and material parameters of the spaser that provides efficient outputs and carryout a comparative analysis with a similar circular spaser made of graphene. Owing to physical and chemical properties of MoS{sub 2} and the active medium, the proposed design delivers efficient outputs in terms of spaser mode energy, operating thresholds, Q-factor, and electric field amplitude. Lower operating thresholds and higher mode energies are notable advantages of the design. Owing to having many superior features to existing similar designs, this MoS{sub 2} spaser may be much suited for applications in nanoplasmonic devices.

  15. Physicochemical investigation of Bi2MoO6 solid-phase interaction with Sm2MoO6

    International Nuclear Information System (INIS)

    Khajkina, E.G.; Kovba, L.M.; Bazarova, Zh.G.; Khal'baeva, K.M.; Khakhinov, V.V.; Mokhosoev, M.V.

    1986-01-01

    Bi 2 MoO 6 -Sm 2 MoO 6 interaction in the temperature range of 700-1000 deg C is studied using X-ray phase analysis and vibrational spectroscopy. Formation of monoclinic solid solutions based on γ'-Bi 2 MoO 6 and B 2-x Sm x MoO 6 varied composition phase with α-Ln 2 MoO 6 structure which homogeneity region extent at 1000 deg C constitutes ∼ 50 mol % (0.7≤x≤1.7) is stated. Crystallographic characteristics of the synthesized phases are determined

  16. Site organization and site arrangement

    International Nuclear Information System (INIS)

    Boissonnet, B.; Macqueron, J.F.

    1976-01-01

    The present paper deals with criteria for the choice of a production unit or power plant site, the organization and development of a site in terms of its particular characteristics and takes into account personnel considerations in site organizations as well as the problem of integrating the architecture into the environment. (RW) [de

  17. Synthesis of Fine Mo2C Powder from Prereduced Mo in Undiluted CH4 Flow

    Science.gov (United States)

    Cetinkaya, S.; Eroglu, S.

    2017-10-01

    The carburization behavior of prereduced Mo was investigated in undiluted CH4 flow at 900-1000 K. Prior to the experiments, equilibrium thermodynamic analysis was carried out in the Mo-C-H system. The products were characterized by mass measurement, x-ray diffraction and scanning electron microscopy techniques. A single Mo2C phase was obtained within 45 min, 5 min, and 2.5 min at 900 K, 950 K, and 1000 K, respectively, at CH4 contents higher than the predicted ones. The reasons for this behavior were discussed in terms of CH4 stability, open tube flow, and self-created atmosphere in the powder bed. The fractional conversion-time curves indicated that the carburization kinetics followed a linear rate law. The Mo2C crystallite size (26-37 nm) and platelet thickness (50-100 nm) were found to be smaller than those of the parent Mo phase. These findings were attributable to the defects formed as a result of stresses associated with the reduction and the carburization.

  18. Deoxygenation of glycolaldehyde and furfural on Mo2C/Mo(100)

    Science.gov (United States)

    McManus, Jesse R.; Vohs, John M.

    2014-12-01

    The desire to produce fuels and chemicals in an energy conscious, environmentally sympathetic approach has motivated considerable research on the use of cellulosic biomass feedstocks. One of the major challenges facing the utilization of biomass is finding effective catalysts for the efficient and selective removal of oxygen from the highly-oxygenated, biomass-derived platform molecules. Herein, a study of the reaction pathways for the biomass-derived platform molecule furfural and biomass-derived sugar model compound glycolaldehyde provides insight into the mechanisms of hydrodeoxygenation (HDO) on a model molybdenum carbide catalyst, Mo2C/Mo(100). Using temperature programmed desorption (TPD) and high resolution electron energy loss spectroscopy (HREELS), it was found that the Mo2C/Mo(100) catalyst was active for selective deoxygenation of the aldehyde carbonyl by facilitating adsorption of the aldehyde in an η2(C,O) bonding configuration. Furthermore, the catalyst showed no appreciable activity for furanic ring hydrogenation, highlighting the promise of relatively inexpensive Mo2C catalysts for selective HDO chemistry.

  19. Order and disorder in the local and long-range structure of the spin-glass pyrochlore, Tb{sub 2}Mo{sub 2}O{sub 7}

    Energy Technology Data Exchange (ETDEWEB)

    Jiang, Yu; Huq, Ashfia; Booth, Corwin H.; Ehlers, Georg; Greedan, John E.; Gardner, Jason S.

    2011-02-11

    To understand the origin of the spin-glass state in molybdate pyrochlores, the structure of Tb{sub 2}Mo{sub 2}O{sub 7} is investigated using two techniques: the long-range lattice structure was measured using neutron powder diffraction (NPD), and local structure information was obtained from the extended x-ray absorption fine structure (EXAFS) technique. While the long-range structure appears generally well ordered, enhanced mean-squared site displacements on the O(1) site and the lack of temperature dependence of the strongly anisotropic displacement parameters for both the Mo and O(1) sites indicate some disorder exists. Likewise, the local structure measurements indicate some Mo-Mo and Tb-O(1) nearest-neighbor disorder exists, similar to that found in the related spin-glass pyrochlore, Y{sub 2}Mo{sub 2}O{sub 7}. Although the freezing temperature in Tb{sub 2}Mo{sub 2}O{sub 7}, 25 K, is slightly higher than in Y{sub 2}Mo{sub 2}O{sub 7}, 22 K, the degree of local pair distance disorder is actually less in Tb{sub 2}Mo{sub 2}O{sub 7}. This apparent contradiction is considered in light of the interactions involved in the freezing process.

  20. Site operations

    International Nuclear Information System (INIS)

    House, W.B.; Ebenhack, D.G.

    1989-01-01

    This chapter is a discussion of the management and operations practices used at the Barnwell Waste Management Facility in Barnwell, SC. The following topics are discussed: (1) Waste receiving and inspection, including manifest and certificates of compliance, radiological surveys, disposition of nonconforming items, and decontamination and disposition of secondary waste streams; (2) Waste disposal, including Title 10 CFR 61 requirements, disposal area evaluations, shipment offloading, container emplacement, and radiation protection; (3) Trench closure, including trench backfilling, trench capping, and permanent markers; (4) Site maintenance and stabilization, including trench maintenance, surface water management, and site closure activities; (5) Site monitoring programs, including operational monitoring, and environmental monitoring program; (6) Personnel training and qualifications, including basic training program, safety training program, special skills training, and physical qualifications; (7) Records management, including waste records, personnel training records, personnel dosimetry records, site monitoring records, trench qualification and construction records, and site drawings and stabilization records; (8) Site security; (9) Emergency response plans; and (10) Quality assurance

  1. Synthesis, structure and optical properties of two isotypic crystals, Na3MO4Cl (M=W, Mo)

    International Nuclear Information System (INIS)

    Han, Shujuan; Bai, Chunyan; Zhang, Bingbing; Yang, Zhihua; Pan, Shilie

    2016-01-01

    Two isotypic compounds, Na 3 MO 4 Cl (M = W, Mo) have been obtained from the high temperature solution, and their structures were determined by single-crystal X-ray diffraction. Both of them crystallize in the space group P4/nmm of tetragonal system with the unit cells: a=7.5181(15), c=5.360(2) for Na 3 WO 4 Cl and a=7.4942(12), c=5.3409(18) for Na 3 MoO 4 Cl. The structure exhibits a 3D network built up by the ClNa 6 groups, and the MO 4 groups reside in the tunnels of the 3D network. The structural similarities and differences between Na 3 MO 4 Cl (M=W, Mo) and Sr 3 MO 4 F (M=Al, Ga) have been discussed. Meanwhile, detailed structure comparison analyses between Na 3 MO 4 Cl (M=W, Mo) and Na 3 MO 4 F (M=W, Mo) indicate that the different connection modes of ClNa 6 and FNa 6 make Na 3 MO 4 Cl and Na 3 MO 4 F crystallize in different structures. The IR spectra were used to verify the validity of the structure. The diffuse reflectance spectra show that the UV absorption edges are about 249 nm (4.99 eV) and 265 nm (4.69 eV) for Na 3 WO 4 Cl and Na 3 MoO 4 Cl, respectively. In addition, the first-principles theoretical studies are also carried out to aid the understanding of electronic structures and linear optical properties. - Graphical abstract: Two isotypic compounds, Na 3 MO 4 Cl (M=W, Mo) have been obtained from the high temperature solution. Both of them crystallize in the space group P4/nmm of tetragonal system. The structure exhibits a 3D network built up by the ClNa 6 groups, and the MO 4 groups reside in the tunnels of the 3D network. - Highlights: • Structure and properties of Na 3 MO 4 Cl (M=W, Mo) are reported for the first time. • They show a 3D network built by ClNa 6 , and WO 4 lies in the tunnels of the network. • IR spectra were used to verify the validity of the structure. • Band structures and density of states have been calculated.

  2. Effects of Mo Content on Microstructure and Mechanical Property of PH13-8Mo Martensitic Precipitation-Hardened Stainless Steel

    Science.gov (United States)

    Yubing, Pei; Tianjian, Wang; Zhenhuan, Gao; Hua, Fan; Gongxian, Yang

    This paper introduces the effects of Mo content on microstructure and mechanical property of PH13-8Mo martensitic precipitation-hardened stainless steel which is used for LP last stage blade in steam turbine. Thermodynamic software Thermo-Calc has been used to calculate precipitation temperature and the mass fraction of precipitated phases in PH13-8Mo steel with different Mo content. The result shows that when the mass of Mo is below 0.6wt.%, chi-phase mu-phase and sigma-phase could disappear. The microstructure and mechanical property of high Mo PH13-8Mo (Mo=0.57wt.%) and low Mo PH13-8Mo (Mo=2.15wt.%)have been investigated in different heat treatments. The investigations reveal that austenitizing temperature decrease with the reduce of Mo content, so the optimum solution temperature for low Mo PH13-8Mo is lower than that for high Mo PH13-8Mo.The influence of solution temperature on grain size is weakened with the increase of Mo content, Mo rich carbides could retard coarsening of grain. An enormous amount of nano-size uniformly distributed β-NiAl particles are found in both kinds of steels using transmission electron microscopy, they are the most important strengthening phase in PH13-8Mo.

  3. Mo isotope fractionation during hydrothermal evolution of porphyry Cu systems

    Science.gov (United States)

    Shafiei, Behnam; Shamanian, GholamHossein; Mathur, Ryan; Mirnejad, Hassan

    2015-03-01

    We present Mo isotope compositions of molybdenite types from three successive stages of ore deposition in several porphyry copper deposits of the Kerman region, Iran. The data provide new insights into controlling processes on Mo isotope fractionation during the hydrothermal evolution of porphyry systems. The Mo isotope compositions of 27 molybdenite samples show wide variations in δ97Mo ranging from -0.37 to +0.92 ‰. The data reveal that molybdenites in the early and transitional stages of mineralization (preferentially 2H polytypes; δ97Mo mean = 0.35 ‰) have higher δ97Mo values than late stage (mainly 3R polytypes; δ97Mo mean = 0.02 ‰) molybdenites. This trend suggests that fractionation of Mo isotopes occurred in high-temperature stages of mineralization and that hydrothermal systems generally evolve towards precipitation of molybdenite with lower δ97Mo values. Taking into account the genetic models proposed for porphyry Cu deposits along with the temperature-dependent fractionation of Mo isotope ratios, it is proposed that large variations of Mo isotopes in the early and the transitional stages of ore deposition could be controlled by the separation of the immiscible ore-forming fluid phases with different density, pH, and ƒO2 properties (i.e., brine and vapor). The fractionation of Mo isotopes during fluid boiling and Rayleigh distillation processes likely dominates the Mo isotope budget of the remaining ore-forming fluids for the late stage of mineralization. The lower δ97Mo values in the late stage of mineralization can be explained by depletion of the late ore-forming hydrothermal solutions in 97Mo, as these fluids have moved to considerable distance from the source. Finally, the relationship observed between MoS2 polytypes (2H and 3R) and their Mo isotopic compositions can be explained by the molecular vibration theory, in which heavier isotopes are preferentially partitioned into denser primary 2H MoS2 crystals.

  4. Stability of defects in monolayer MoS{sub 2} and their interaction with O{sub 2} molecule: A first-principles study

    Energy Technology Data Exchange (ETDEWEB)

    Zhao, B. [Hubei Nuclear Solid Physics Key Laboratory, Department of Physics, Wuhan University, Wuhan, 430072 (China); Shang, C. [Wuhan National High Magnetic Field Center, Huazhong University of Science and Technology, Wuhan, 430074 (China); Qi, N. [Hubei Nuclear Solid Physics Key Laboratory, Department of Physics, Wuhan University, Wuhan, 430072 (China); Chen, Z.Y. [School of Nuclear Technology and Chemistry & Biology, Hubei University of Science and Technology, Xianning, 437100 (China); Chen, Z.Q., E-mail: chenzq@whu.edu.cn [Hubei Nuclear Solid Physics Key Laboratory, Department of Physics, Wuhan University, Wuhan, 430072 (China)

    2017-08-01

    Highlights: • Defects can exist steadily in monolayer MoS{sub 2} and break surface chemical inertness. • Activated surfaces are beneficial to the adsorption of O{sub 2} through the introduction of defect levels. • Adsorbed O{sub 2} on defective surface can dissociate with low activation energy barrier. • Defective system may be a potential substrate to design MoS{sub 2}-based gas sensor or catalysts. - Abstract: The stability of various defects in monolayer MoS{sub 2}, as well as their interactions with free O{sub 2} molecules were investigated by density functional theory (DFT) calculations coupled with the nudged elastic band (NEB) method. The defects including S vacancy (monosulfur and disulfue vacancies), antisite defect (Mo{sub S}) and external Mo atom can exist steadily in monolayer MoS{sub 2}, and introduce defect levels in these defective systems, which breaks the surface chemical inertness and significantly enhances the adsorption capacity for free O{sub 2}. The adsorption energy calculations and electronic properties analysis suggest that there is a strong interaction between O{sub 2} molecule and defective system. The adsorbed O{sub 2} on the defective surface can dissociate with a lower activation energy barrier, which produce two active oxygen atoms. Especially, two Mo atoms can occupy one Mo lattice site, and adsorbed O{sub 2} on the top of the Mo atom can then dissociate directly with the lowest activation energy barrier. Hence, our work may provide useful information to design MoS{sub 2}-based gas sensor or catalysts.

  5. Development of Mo recycle technique from generator materials

    Energy Technology Data Exchange (ETDEWEB)

    Tanimoto, Masataka; Kurosawa, Makoto; Kimura, Akihiro; Nishikata, Kaori; Tsuchiya, Kunihiko [Japan Atomic Energy Agency, Oarai Research and Development Center, Oarai, Ibaraki (Japan); Kakei, Sadanori; Yoshinaga, Hideo [Taiyo Koko Corp., Ako Laboratory, Ako, Hyogo (Japan)

    2012-03-15

    The domestic {sup 99}Mo production by the (n,{gamma}) method is proposed in JMTR because of low amount of radioactive wastes and easy {sup 99}Mo/{sup 99m}Tc production process. For the development of domestic production, it is necessary to use the enriched {sup 98}MoO{sub 3}, which is very expensive, for high specific activity of {sup 99}Mo. A large amount of used PZC/PTC embraced {sup 98}Mo is also generated after the decay of {sup 99}Mo. JAEA and Taiyo Koko is proposed to recover molybdenum from the used PZC/PTC for an effective use of resources and reduction of radioactive wastes. Preliminary experiments of Mo recycling with un-irradiated MoO{sub 3} were carried out by the elution and sublimation methods. From the results, Mo recovery rate from the PZC/PTC was more than 95% by two kinds of methods. The prospects are bright for Mo recycle and reduction of radioactive wastes using these methods. (author)

  6. Nanostructured Mo-based electrode materials for electrochemical energy storage.

    Science.gov (United States)

    Hu, Xianluo; Zhang, Wei; Liu, Xiaoxiao; Mei, Yueni; Huang, Yunhui

    2015-04-21

    The development of advanced energy storage devices is at the forefront of research geared towards a sustainable future. Nanostructured materials are advantageous in offering huge surface to volume ratios, favorable transport features, and attractive physicochemical properties. They have been extensively explored in various fields of energy storage and conversion. This review is focused largely on the recent progress in nanostructured Mo-based electrode materials including molybdenum oxides (MoO(x), 2 ≤ x ≤ 3), dichalconides (MoX2, X = S, Se), and oxysalts for rechargeable lithium/sodium-ion batteries, Mg batteries, and supercapacitors. Mo-based compounds including MoO2, MoO3, MoO(3-y) (0 energy storage systems because of their unique physicochemical properties, such as conductivity, mechanical and thermal stability, and cyclability. In this review, we aim to provide a systematic summary of the synthesis, modification, and electrochemical performance of nanostructured Mo-based compounds, as well as their energy storage applications in lithium/sodium-ion batteries, Mg batteries, and pseudocapacitors. The relationship between nanoarchitectures and electrochemical performances as well as the related charge-storage mechanism is discussed. Moreover, remarks on the challenges and perspectives of Mo-containing compounds for further development in electrochemical energy storage applications are proposed. This review sheds light on the sustainable development of advanced rechargeable batteries and supercapacitors with nanostructured Mo-based electrode materials.

  7. Phase equilibria of the Mo-Al-Ho ternary system

    Energy Technology Data Exchange (ETDEWEB)

    Li, Yitai; Chen, Xiaoxian; Liu, Hao [Guangxi Univ., Nanning (China). College of Materials Science and Engineering; Guangxi Univ., Nanning (China). Guangxi Key Laboratory of Processing for Non-ferrous Metal and Featured Materials; Zhan, Yongzhong [Guangxi Univ., Nanning (China). College of Materials Science and Engineering; Guangxi Univ., Nanning (China). Guangxi Key Laboratory of Processing for Non-ferrous Metal and Featured Materials; Guangxi Univ., Nanning (China). Center of Ecological Collaborative Innovation for Aluminum Industry

    2017-08-15

    Investigation into the reactions and phase equilibria of transition metal elements (i.e. Mo, Zr, Cr, V and Ti), Al and rare earths is academically and industrially important for the development of both refractory alloys and lightweight high-temperature materials. In this work, the equilibria of the Mo-Al-Ho ternary system at 773 K have been determined by using X-ray powder diffraction and scanning electron microscopy equipped with energy dispersive X-ray analysis. A new ternary phase Al{sub 4}Mo{sub 2}Ho has been found and the other ternary phase Al{sub 43}Mo{sub 4}Ho{sub 6} is observed. Ten binary phases in the Al-Mo and Al-Ho systems, including Al{sub 17}Mo{sub 4} rather than Al{sub 4}Mo, have been determined to exist at 773 K. The homogeneity ranges of AlMo{sub 3} and Al{sub 8}Mo{sub 3} phase are 7.5 at.% and 1 at.%, respectively. According to the phase-disappearing method, the maximum solubility of Al in Mo is about 16 at.%.

  8. Gold nanoparticles on MoS2 layered crystal flakes

    International Nuclear Information System (INIS)

    Cao, Wei; Pankratov, Vladimir; Huttula, Marko; Shi, Xinying; Saukko, Sami; Huang, Zhongjia; Zhang, Meng

    2015-01-01

    Inorganic layered crystal MoS 2 is considered as one of the most promising and efficient semiconductor materials for future transistors, photoelectronics, and electrocatalysis. To boost MoS 2 -based material applications, one direction is to grow physically and chemically reactive nanoparticles onto MoS 2 . Here we report on a simple route to synthesis crystalized MoS 2 –Au complexes. The gold nanoparticles were grown on MoS 2 flakes through a wet method in the oxygen free environment at room temperature. Nanoparticles with diameters varying from 9 nm to 429 nm were controlled by the molar ratios of MoS 2 and HAuCl 4 precursors. MoS 2 host flakes keep intrinsic honeycomb layered structures and the Au nanoparticles cubic-center crystal microstructures. From product chemical states analysis, the synthesis was found driven by redox reactions between the sulphide and the chloroauric acid. Photoluminescence measurement showed that introducing Au nanoparticles onto MoS 2 stacks substantially prompted excitonic transitions of stacks, as an analogy for doping Si wafers with dopants. Such composites may have potential applications in wide ranges similar as the doped Si. - Highlights: • The Au nanoparticles were decorated on MoS 2 in oxygen free ambiences via a wet method. • The Au nanoparticles are size-controllable and crystalized. • Chemical reaction scheme was clarified. • The MoS 2 –Au complexes have strong photoluminescent properties

  9. In-situ fabrication of MoSi{sub 2}/SiC–Mo{sub 2}C gradient anti-oxidation coating on Mo substrate and the crucial effect of Mo{sub 2}C barrier layer at high temperature

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Jun [School of Materials Science and Engineering, Tsinghua University, Beijing 100084 (China); Key Laboratory for Advanced Materials Processing Technology, Ministry of Education, Beijing 100084 (China); State Key Laboratory of New Ceramics and Fine Processing, Beijing 100084 (China); Gong, Qianming, E-mail: gongqianming@mail.tsinghua.edu.cn [School of Materials Science and Engineering, Tsinghua University, Beijing 100084 (China); Key Laboratory for Advanced Materials Processing Technology, Ministry of Education, Beijing 100084 (China); State Key Laboratory of New Ceramics and Fine Processing, Beijing 100084 (China); Shao, Yang; Zhuang, Daming [School of Materials Science and Engineering, Tsinghua University, Beijing 100084 (China); Key Laboratory for Advanced Materials Processing Technology, Ministry of Education, Beijing 100084 (China); State Key Laboratory of New Ceramics and Fine Processing, Beijing 100084 (China); Liang, Ji [Key Laboratory for Advanced Materials Processing Technology, Ministry of Education, Beijing 100084 (China); Department of Mechanical Engineering, Tsinghua University, Beijing 100084 (China)

    2014-07-01

    MoSi{sub 2}/SiC–Mo{sub 2}C gradient coating on molybdenum was in situ prepared with pack cementation process by two steps: (1) carburizing with graphite powder to obtain a Mo{sub 2}C layer on Mo substrate, and (2) siliconizing with Si powder to get a composite MoSi{sub 2}/SiC layer on the upper part of Mo{sub 2}C layer. The microstructure and elemental distribution in the coating were investigated with scanning electron microscopy (SEM), backscattered electron (BSE), energy dispersive spectroscopy (EDS), electron probe microanalysis (EPMA) and X-ray diffraction (XRD). Cyclic oxidation tests (at 500 °C, 1200 °C, 1400 °C and 1600 °C) demonstrated excellent oxidation resistance for the gradient composite coating and the mass loss was only 0.23% in 60 min at 1600 °C. XRD, EPMA, thermal dynamic and phase diagram analyses indicated that the Mo{sub 2}C barrier layer played the key role in slowing down the diffusion of C and Si toward inner Mo substrate at high temperature and principally this contributed to the excellent anti-oxidation for Mo besides the outer MoSi{sub 2}/SiC composite layer.

  10. In-situ fabrication of MoSi2/SiC–Mo2C gradient anti-oxidation coating on Mo substrate and the crucial effect of Mo2C barrier layer at high temperature

    International Nuclear Information System (INIS)

    Liu, Jun; Gong, Qianming; Shao, Yang; Zhuang, Daming; Liang, Ji

    2014-01-01

    MoSi 2 /SiC–Mo 2 C gradient coating on molybdenum was in situ prepared with pack cementation process by two steps: (1) carburizing with graphite powder to obtain a Mo 2 C layer on Mo substrate, and (2) siliconizing with Si powder to get a composite MoSi 2 /SiC layer on the upper part of Mo 2 C layer. The microstructure and elemental distribution in the coating were investigated with scanning electron microscopy (SEM), backscattered electron (BSE), energy dispersive spectroscopy (EDS), electron probe microanalysis (EPMA) and X-ray diffraction (XRD). Cyclic oxidation tests (at 500 °C, 1200 °C, 1400 °C and 1600 °C) demonstrated excellent oxidation resistance for the gradient composite coating and the mass loss was only 0.23% in 60 min at 1600 °C. XRD, EPMA, thermal dynamic and phase diagram analyses indicated that the Mo 2 C barrier layer played the key role in slowing down the diffusion of C and Si toward inner Mo substrate at high temperature and principally this contributed to the excellent anti-oxidation for Mo besides the outer MoSi 2 /SiC composite layer.

  11. Grotrian diagrams for highly ionized molybdenum Mo VI through Mo XLII

    International Nuclear Information System (INIS)

    Shirai, Toshizo; Sugar, J.; Wiese, W.L.

    1997-07-01

    Grotrian diagrams are presented to provide graphical overviews for 1,930 spectral lines of highly ionized molybdenum, Mo VI through Mo XLII. In the usual diagram display such as that by Bashkin and Stoner (North-Holland, Amsterdam, 1975), the density of transitions is often too high to allow each transition to be drawn separately. Here in our modified diagrams, the transitions are also represented by lines connecting the upper and lower energy levels, but the lower energy levels are extended and repeated for successive configurations as needed. As a sequence, dense packing is avoided and all lines in a multiplet can be accommodated. (author)

  12. Structural transformation of MoO3 nanobelts into MoS2 nanotubes

    International Nuclear Information System (INIS)

    Deepak, Francis Leonard; Mayoral, Alvaro; Yacaman, Miguel Jose

    2009-01-01

    The structural transformation of MoO 3 nanobelts into MoS 2 nanotubes using a simple sulfur source has been reported. This transformation has been extensively investigated using electron microscopic and spectroscopic techniques including scanning electron microscopy (SEM), transmission electron microscopy (TEM), high-resolution transmission electron microscopy (HRTEM), electron diffraction (ED), and energy-dispersive X-ray analysis (SEM-EDAX and TEM-EDX). The method described in this report will serve as a generic route for the transformation of other oxide nanostructures into the chalcogenide nanostructures. (orig.)

  13. Correlation between the nanocrystalline Sm(Fe,Mo){sub 12} and its out of equilibrium phase Sm(Fe,Mo){sub 10}

    Energy Technology Data Exchange (ETDEWEB)

    Khazzan, S. [CMTR, ICMPE, UMR7182, CNRS - Université Paris Est, 2-8 rue Henri Dunant, F-94320 Thiais (France); Laboratoire Matériaux Organisation et Propriétés, Faculté des Sciences de Tunis, Université de Tunis El Manar, 2092 Tunis (Tunisia); Bessais, L., E-mail: bessais@glvt.cnrs.fr [CMTR, ICMPE, UMR7182, CNRS - Université Paris Est, 2-8 rue Henri Dunant, F-94320 Thiais (France); Van Tendeloo, G. [EMAT, University of Antwerp, B-2020 Antwerp (Belgium); Mliki, N. [Laboratoire Matériaux Organisation et Propriétés, Faculté des Sciences de Tunis, Université de Tunis El Manar, 2092 Tunis (Tunisia)

    2014-08-01

    Nanostructured Sm–Fe–Mo semi-hard magnetic material exhibiting enhanced magnetic properties can be produced by ball milling followed by recrystallization. Milled samples were annealed for 30 min in a vacuum at different temperatures (T{sub A}) between 700 and 1190 °C. The effects of heat treatment and Mo content on structural and magnetic property changes have been investigated by means of X-ray diffraction using the Rietveld method, transmission electron microscopy and magnetic measurements. For samples annealed at T{sub A}>900°C the tetragonal ThMn{sub 12}-type structure is identified, while for 700sites: 3g is fully occupied, 6l occupation is limited to hexagons surrounding the Fe dumbbell pairs 2e. We have performed a magnetic and structural study of nanocrystalline metastable P6/mmm Sm(Fe{sub 1−x}Mo{sub x}){sub 10}, correlated with structural transformation towards its equilibrium derivative I4/mmm Sm(Fe{sub 1−x}Mo{sub x}){sub 12}. A maximum of the coercive field H{sub C} (H{sub C}>5kOe) has been observed for the new hexagonal P6/mmm phase suggesting that nanocrystalline Sm(Fe,Mo){sub 10}, is a semi-hard material, and is potential candidate for magnetic recording. - Highlights: • A study of the structure and magnetic properties of SmFeMo compound. • A new out of equilibrium P6/mmm-type structure was found. • Correlation between the 1/12 phase and its out of equilibrium 1/10 phase.

  14. Management of radioactive waste from {sup 99}Mo production by nuclear fission; Gestao dos rejeitos radioativos gerados na producao do {sup 99}Mo por fissao nuclear

    Energy Technology Data Exchange (ETDEWEB)

    Rego, Maria Eugenia de Melo

    2013-07-01

    Brazil intends to build a facility for the {sup 99}Mo production through {sup 235}U fission, once this radioisotope is largely used in nuclear medicine. This study aimed at estimating the physical, chemical and radiological characteristics of radioactive waste expected to be generated in that facility, and to provide theoretical subsides that can be used on the definition of a proper waste management system. Two production scenarios were established and the radioisotope inventories of the wastes were calculated by Scale®. From the chemical processing of the uranium targets the wastes were characterized on their chemical and radiological features. MicroShield® was used to determine the activity concentrations up to three months of {sup 99}Mo production. In addition, this work presents dose rate calculation for several sizes of shielding and different amount of wastes, collected in a proper package for in-site transportation. Radionuclides responsible for higher doses were identified in order to facilitate choosing the most appropriate method for managing the wastes after their chemical separation and before their storage. These results are part of what is expected on radioactive wastes at a {sup 99}Mo production facility and might help on the development of the waste management planning for that facility. (author)

  15. First-principles evaluation of electronic and optical properties of (Mo, C) codoped BaHfO3 for applications in photocatalysis

    Science.gov (United States)

    Akhtar, Shaheen; Alay-e-Abbas, Syed Muhammad; Abbas, Syed Muhammad Ghulam; Arshad, Muhammad Imran; Batool, Javaria; Amin, Nasir

    2018-04-01

    In this paper, we report first-principles spin-polarized density functional theory calculations for exploring the effect of aliovalent Mo and C dopants on the electronic properties and photocatalysis potential of doped modifications of wide-bandgap cubic perovskite oxide BaHfO3 for water splitting. The structural and thermodynamic properties are computed by using the generalized gradient approximation, whereas the modified Becke-Johnson local density approximation is used to calculate the electronic structures of pristine, cation (Mo), and anion (C) monodoped and cation-anion (Mo, C) codoped BaHfO3. The spin-polarized calculations reveal that substitutional dopants CO and MoHf in the BaHfO3 lattice are thermodynamically stable. The incorporation of C in the O site reduces the bandgap of BaHfO3 and acts as a double-acceptor system, whereas a metallic character is obtained when Mo is doped into the Hf site giving rise to a double-donor system. We show that the acceptor and donor states of the C- and Mo-monodoped BaHfO3 can be passivated by (Mo, C) codoping at nearest-neighbor Hf and O sites of the BaHfO3 lattice, respectively. Analysis of the calculated electronic structure and optical absorption of (Mo, C) codoped BaHfO3 with reference to the H2O oxidation and reduction potentials reveals that this system is a suitable candidate for efficient splitting of water through photocatalysis in the visible region of the electromagnetic spectrum.

  16. Radiochemical purity of Mo and Tc solution obtained after irradiation and dissolution of Mo-100-enriched and ultra-high-purity natural Mo disks

    Energy Technology Data Exchange (ETDEWEB)

    Tkac, Peter [Argonne National Lab. (ANL), Argonne, IL (United States); Gromov, Roman [Argonne National Lab. (ANL), Argonne, IL (United States); Chemerisov, Sergey D. [Argonne National Lab. (ANL), Argonne, IL (United States); Rotsch, David A. [Argonne National Lab. (ANL), Argonne, IL (United States); Vandegrift, George F. [Argonne National Lab. (ANL), Argonne, IL (United States)

    2016-09-01

    Four irradiations of ultra-high-purity natural Mo targets and one irradiation using 97.4% Mo-100-enriched material were performed. The purpose of these irradiations was to determine whether the presence of Sn stabilizer in the H2O2 used for the dissolution of sintered Mo disks can affect the radiochemical purity of the final K2MoO4 in 5M KOH solution. Results from radiochemical purity tests performed using thin-layer paper chromatography show that even 2– 3× excess of Sn-stabilized H2O2 typically used for dissolution of sintered Mo disks did not affect the radiochemical purity of the final product.

  17. Facile synthesis of stable structured MoS{sub 2}-Mo-CNFs heteroarchitecture with enhanced hydrogen evolution

    Energy Technology Data Exchange (ETDEWEB)

    Mo, Qionghua [Research Institute for New Materials Technology, Chongqing University of Arts and Sciences, Chongqing 402160 (China); Faculty of Material and Energy, South West University, Chongqing 400700 (China); Yao, Yucen [Research Institute for New Materials Technology, Chongqing University of Arts and Sciences, Chongqing 402160 (China); Liu, Bitao, E-mail: liubitao007@163.com [Research Institute for New Materials Technology, Chongqing University of Arts and Sciences, Chongqing 402160 (China); Peng, Lingling; Yan, Hengqing; Hou, Zhupei; Wang, Jun [Research Institute for New Materials Technology, Chongqing University of Arts and Sciences, Chongqing 402160 (China); Lin, Yue, E-mail: linyue@ustc.edu.cn [Hefei National Laboratory for Physical Sciences at the Microscale, University of Science and Technology of China, Anhui 230026 (China)

    2017-06-01

    3D structured MoS{sub 2} are grown in-situ on Mo particles embedded carbon nanofibers (CNFs) via a hydrothermal method. Due to this special structure, the bonding and effective electron delivery between CNFs and MoS{sub 2} are both enhanced, and which will exhibits a better hydrogen evolution activity. The onset potential of this MoS{sub 2}-Mo-CNFs catalyst will decreased to 60 mV compared to the 90 mV for the MoS{sub 2}-CNFs. And its current density nearly no change with 5000 cycles which is better than the 32.3% decrease of MoS{sub 2}-CNFs at η = 300 mV (V vs RHE). - Highlights: • Newly structured MoS{sub 2}-Mo-CNFs with effectively connection between MoS{sub 2} and CNFs successfully synthesized. • This structure can enhance the charge transfer and significantly increase electrocatalytic efficiency. • Nearly no HER activity loss after 5000 CV cycles.

  18. Effect of unlabelled monoclonal antibody (MoAb) on biodistribution of /sup 111/Indium labelled (MoAb)

    Energy Technology Data Exchange (ETDEWEB)

    Lamki, L M; Murray, J L; Rosenblum, M G; Patt, Y Z; Babaian, Richard; Unger, M W

    1988-08-01

    We have evaluated immunoscintigraphy in cancer patients using four /sup 111/In-labelled murine monoclonal antibodies (MoAb): 96.5 (anti-P97 of melanoma), ZME-018 (anti-high molecular weight antibody of melanoma), ZCE-025 (anti-CEA for colon cancer) and PAY-276 (anti-prostatic acid phosphatase for prostatic cancer). The effect of increasing the doses of unlabelled MoAb (co-infused with 1 mg labelled MoAb) on the relative body distribution of each labelled MoAb was assessed. Localization in the liver decreased significantly in all cases, with increasing MoAb dose, except for ZME-018. Localization in other organs increased significantly as the liver activity decreased. The spleen activity, however, fell in the case of MoAb ZME-018. Blood-pool activity increased with MoAb dose in all four MoAbs. These findings correlated with the rise in the detection rate of metastases, the plasma half-life, and other pharmacokinetic parameters. However, the dose level at which this correlation occurred varied with each antibody. These data demonstrate the co-infusion of unlabelled MoAb with /sup 111/In-labelled MoAb could alter the organ distribution, pharmacokinetics and tumour uptake in a favourable manner, though the degree to which this occurs depends on the antibody in question.

  19. Photo-transmutation of {sup 100}Mo to {sup 99}Mo with Laser-Compton Scattering Gamma-ray

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Jiyoung; Rehman, Haseeb ur; Kim, Yonghee [KAIST, Daejeon (Korea, Republic of)

    2016-10-15

    This paper presents a photonuclear transmutation method using laser Compton scattering (LCS) gamma-ray beam. Potential production rate (reaction rate) of 99Mo using the photonuclear (γ,n) reaction is evaluated. Rigorous optimization of the LCS spectrum has also been performed to maximize production of the 99Mo. Cyclotron proton accelerators are used worldwide to produce many short-living medical isotopes. However, few are capable of producing Mo-99 and none are suitable for producing more than a small fraction of the required amounts. More than 90% of the world's demand of 99Mo is sourced from five nuclear reactors. Two of these reactors have already been decommissioned and the rest are more than 45 years old. Relatively short half-life of the parent 99Mo requires continuous re-supply to meet the requirements of medical industry. Therefore, there is an urgent need to produce the 99Mo and 99mTc isotopes by alternative ways. One such alternative is giant dipole resonance (GDR) based photonuclear transmutation of 100Mo to 99Mo. For 99Mo production with the LCS photons using GDR-based (γ,n) reaction, the gamma-ray energy should be around 15 MeV. This study indicates that optimization of LCS spectrum by varying the electron and laser energies within practical limits can enhance the transmutation of Mo-100 to M-99 quite significantly. It has been found that irradiation time should be rather short, e.g., less than 6 hours, to maximize the weekly production of Mo-99 in the GDR-based Mo-99 production facility using the LCS photons. The analysis shows that production of 99Mo using a high-performance LCS facility offers a potentially-promising alternative for the production of 99mTc.

  20. Comparitive study of fluorescence lifetime quenching of rhodamine 6G by MoS2 and Au-MoS2

    Science.gov (United States)

    Shakya, Jyoti; Kasana, Parath; Mohanty, T.

    2018-04-01

    Time resolved fluorescence study of Rhodamine 6G (R6G) in the presence of Molybdenum disulfide (MoS2) nanosheets and gold doped MoS2 (Au-MoS2) have been carried out and discussed. We have analyzed the fluorescence decay curves of R6G and it is observed that Au-MoS2 is a better fluorescence lifetime quencher as compare to MoS2 nanosheets. Also, the energy transfer efficiency and energy transfer rate from R6G to MoS2 and Au-MoS2 has been calculated and found higher for Au-MoS2.

  1. Na2MoO2As2O7

    Directory of Open Access Journals (Sweden)

    Raja Jouini

    2012-12-01

    Full Text Available Disodium molybdenum dioxide diarsenate, Na2MoO2As2O7, has been synthesized by a solid-state reaction. The structure is built up from MoAs2O12 linear units sharing corners to form a three-dimensional framework containing tunnels running along the a-axis direction in which the Na+ cations are located. In this framework, the AsV atoms are tetrahedrally coordinated and form an As2O7 group. The MoVI atom is displaced from the center of an octahedron of O atoms. Two Na+ cations are disordered about inversion centres. Structural relationships between different compounds: A2MoO2As2O7 (A = K, Rb, AMOP2O7 (A = Na, K, Rb; M = Mo, Nb and MoP2O7 are discussed.

  2. Atomic scale onset of Al adhesion on Mo2BC

    International Nuclear Information System (INIS)

    Bolvardi, Hamid; Music, Denis; Schneider, Jochen M.

    2015-01-01

    We have explored interfacial interactions between a Mo–C terminated Mo 2 BC(040) surface and an Al cluster using ab initio molecular dynamics. The Al cluster is disrupted and wets the Mo 2 BC(040) surface. This can be understood based on the electronic structure. Across the Al–MoC interface C s–Al s hybridized states are formed. These bonds are stronger than the Al–Al intra-cluster bonds. Hence, the onset of Al adhesion is caused by bond formation across the Al–MoC interface. - Highlights: • Interfacial interactions between Mo 2 BC and an Al cluster were explored. • Al forms bonds to C constituting the onset of Al adhesion on Mo 2 BC. • These data are relevant for other carbide coatings

  3. U-Mo fuel qualification program in HANARO

    International Nuclear Information System (INIS)

    Lee, K.H.; Lee, C.S.; Kim, H.R.; Kuk, I.H.; Kim, C.K.

    2000-01-01

    Atomized U-Mo fuel has shown good performance from the results of previous out-of-pile tests and post-irradiation examinations. A qualification program of rod type U-Mo fuel is in progress and the fuel will be irradiated in HANARO. 6 gU/cm 3 U-7Mo, U-8Mo and U-9Mo are considered in this program. The laboratory test results of porosity, mechanical property, thermal conductivity, and thermal compatibility test are discussed in this paper. In parallel with this qualification program, the feasibility study on the core conversion from the present U 3 Si fuel to U-Mo in HANARO will be initiated to provide technical bases for the policy making. Several options of core conversion for HANARO are proposed and each option will be addressed briefly in terms of the operation policy, fuel management, and licensing of HANARO. (author)

  4. Status of {sup 99}Mo-{sup 99m}Tc production development by (n, {gamma}) reaction

    Energy Technology Data Exchange (ETDEWEB)

    Tsuchiya, Kunihiko; Kaminaga, Masanori; Ishihara, Masahiro; Kawamura, Hiroshi [Japan Atomic Energy Agency, Oarai Research and Development Center, Oarai, Ibaraki (Japan); Mutalib, Abdul [National Nuclear Energy Agency of Indonesia (BATAN), Tangerang (Indonesia); Chakrov, Petr [Institute of Nuclear Physics, National Nuclear Center of Republic of Kazakhstan (INP-NNC-RK), Almaty (Kazakhstan)

    2012-03-15

    Technetium-99m ({sup 99m}Tc) is one of the most commonly used radioisotopes in the field of nuclear medicine. As one of effective uses of the JMTR, JAEA has a plan to produce {sup 99}Mo by (n, {gamma}) method, a parent nuclide of {sup 99m}Tc. JAEA has performed R and D on production method of {sup 99}Mo-{sup 99m}Tc in JMTR cooperating with foreign organizations and relevant Japanese enterprises under the cooperation programs. In this paper, present status of R and D for production of {sup 99}Mo-{sup 99m}Tc in JMTR under international cooperation is introduced and constructions of the irradiation and PIE facilities at the JMTR site are also described. (author)

  5. Deactivation of Ni-MoS2 by bio-oil impurities during hydrodeoxygenation of phenol and octanol

    DEFF Research Database (Denmark)

    Mortensen, Peter Mølgaard; Gardini, Diego; Damsgaard, Christian Danvad

    2016-01-01

    The stability of Ni-MoS2/ZrO2 toward water, potassium, and chlorine containing compounds during hydrodeoxygenation (HDO) of a mixture of phenol and 1-octanol was investigated in a high pressure gas and liquid continuous flow fixed bed setup at 280 °C and 100 bar. To maintain the stability...... of the catalyst, sufficient co-feeding of a sulfur source was necessary to avoid oxidation of the sulfide phase by oxygen replacement of the edge sulfur atoms in the MoS2 structure. However, the addition of sulfur to the feed gas resulted in the formation of sulfur containing compounds, mainly thiols, in the oil...... impregnated on the catalyst in a stoichiometric ratio relative to the active metal. This deactivation was a result of adsorption of potassium on the edge vacancy sites of the MoS2 slabs....

  6. Donor doping process and white light generation in CaMoO4 powders with multivalence Pr codoping

    International Nuclear Information System (INIS)

    Zhu Fang; Xiao Zhisong; Zhang Feng; Yan Lu; Huang Anping

    2011-01-01

    Both trivalent praseodymium (Pr 3+ ) and quadrivalent praseodymium (Pr 4+ ) were doped in molybdate powders. Visible emission from matrix was enhanced by multivalent Pr codoping. It was proposed that Pr 3+ ions was donor and supplied quasi-free electron when Pr 3+ took place the Pr 4+ sites. The result showed that multivalence codoping would be an effective way to enhance emission of CaMoO 4 . White light can be generated from Ca 0.98 Pr 0.02 MoO 4 powder via combination of broadband emissions originated from CaMoO 4 matrix and radiative transition of Pr 3+ . It showed warm white light with T c of 3450 K that implies promising application in white light emitting diodes (LEDs).

  7. MoRM and Future Memories

    DEFF Research Database (Denmark)

    Rehder, Mads Middelboe; Ostrowski, Kasper

    2017-01-01

    for the experimental workshop we lunged into a process of devising both an interactive exhibition and an installation which explored the ‘big data’ citizens regularly produce in their everyday lives and how this data might be archived, packaged, and recycled - or even forgotten, primarily within social media. We...... wanted to explore what our daily routines connected to social media and sorting our data meant for the way we shape our memories, and therefore the traces of future memories. In this chapter we follow the trajectory of the exhibition entitled ‘MoRM’ (Museum of Random Memories)....

  8. Highly Active 2D Layered MoS 2 -rGO Hybrids for Energy Conversion and Storage Applications.

    Science.gov (United States)

    Kamila, Swagatika; Mohanty, Bishnupad; Samantara, Aneeya K; Guha, Puspendu; Ghosh, Arnab; Jena, Bijayalaxmi; Satyam, Parlapalli V; Mishra, B K; Jena, Bikash Kumar

    2017-08-21

    The development of efficient materials for the generation and storage of renewable energy is now an urgent task for future energy demand. In this report, molybdenum disulphide hollow sphere (MoS 2 -HS) and its reduced graphene oxide hybrid (rGO/MoS 2 -S) have been synthesized and explored for energy generation and storage applications. The surface morphology, crystallinity and elemental composition of the as-synthesized materials have been thoroughly analysed. Inspired by the fascinating morphology of the MoS 2 -HS and rGO/MoS 2 -S materials, the electrochemical performance towards hydrogen evolution and supercapacitor has been demonstrated. The rGO/MoS 2 -S shows enhanced gravimetric capacitance values (318 ± 14 Fg -1 ) with higher specific energy/power outputs (44.1 ± 2.1 Whkg -1 and 159.16 ± 7.0 Wkg -1 ) and better cyclic performances (82 ± 0.95% even after 5000 cycles). Further, a prototype of the supercapacitor in a coin cell configuration has been fabricated and demonstrated towards powering a LED. The unique balance of exposed edge site and electrical conductivity of rGO/MoS 2 -S shows remarkably superior HER performances with lower onset over potential (0.16 ± 0.05 V), lower Tafel slope (75 ± 4 mVdec -1 ), higher exchange current density (0.072 ± 0.023 mAcm -2 ) and higher TOF (1.47 ± 0.085 s -1 ) values. The dual performance of the rGO/MoS 2 -S substantiates the promising application for hydrogen generation and supercapacitor application of interest.

  9. Phase formation in the Li2MoO4–K2MoO4–In2(MoO4)3 system and crystal structures of new compounds K3InMo4O15 and LiK2In(MoO4)3

    International Nuclear Information System (INIS)

    Khal’baeva, Klara M.; Solodovnikov, Sergey F.; Khaikina, Elena G.; Kadyrova, Yuliya M.; Solodovnikova, Zoya A.; Basovich, Olga M.

    2012-01-01

    XRD study of solid-phase interaction in the Li 2 MoO 4 –K 2 MoO 4 –In 2 (MoO 4 ) 3 system was performed. The boundary K 2 MoO 4 –In 2 (MoO 4 ) 3 system is an non-quasibinary join of the K 2 O–In 2 O 3 –MoO 3 system where a new polymolybdate K 3 InMo 4 O 15 isotypic to K 3 FeMo 4 O 15 was found. In the structure (a=33.2905(8), b=5.8610(1), c=15.8967(4) Å, β=90.725(1)°, sp. gr. C2/c, Z=8, R(F)=0.0407), InO 6 octahedra, Mo 2 O 7 diortho groups and MoO 4 tetrahedra form infinite ribbons {[In(MoO 4 ) 2 (Mo 2 O 7 )] 3− } ∞ along the b-axis. Between the chains, 8- to 10-coordinate potassium cations are located. A subsolidus phase diagram of the Li 2 MoO 4 –K 2 MoO 4 –In 2 (MoO 4 ) 3 system was constructed and a novel triple molybdate LiK 2 In(MoO 4 ) 3 was revealed. Its crystal structure (a=7.0087(2), b=9.2269(3), c=10.1289(3) Å, β=107.401(1)°, sp. gr. P2 1 , Z=2, R(F)=0.0280) contains an open framework of vertex-shared MoO 4 tetrahedra, InO 6 octahedra and LiO 5 tetragonal pyramids with nine- and seven-coordinate potassium ions in the framework channels. - Graphical abstract: Exploring the Li 2 MoO 4 –K 2 MoO 4 –In 2 (MoO 4 ) 3 system showed its partial non-quasibinarity and revealed new compounds K 3 InMo 4 O 15 (isotypic to K 3 FeMo 4 O 15 ) and LiK 2 In(MoO 4 ) 3 which were structurally studied. An open framework of the latter is formed by vertex-shared MoO 4 tetrahedra, InO 6 octahedra and LiO 5 tetragonal pyramids. Highlights: ► Subsolidus phase relations in the Li 2 MoO 4 –K 2 MoO 4 –In 2 (MoO 4 ) 3 system were explored. ► The K 2 MoO 4 –In 2 (MoO 4 ) 3 system is a non-quasibinary join of the K 2 O–In 2 O 3 –MoO 3 system. ► New compounds K 3 InMo 4 O 15 and LiK 2 In(MoO 4 ) 3 were obtained and structurally studied. ► K 3 InMo 4 O 15 is isotypic to K 3 FeMo 4 O 15 and carries bands of InO 6 , MoO 4 and Mo 2 O 7 units. ► An open framework of LiK 2 In(MoO 4 ) 3 is formed by polyhedra MoO 4 , InO 6 and LiO 5 .

  10. VTVH-MCD study of the Delta nifB Delta nifZ MoFe protein from Azotobacter vinelandii.

    Science.gov (United States)

    Cotton, Marcia S; Rupnik, Kresimir; Broach, Robyn B; Hu, Yilin; Fay, Aaron W; Ribbe, Markus W; Hales, Brian J

    2009-04-08

    NifZ is a member of a series of proteins associated with the maturation of the nitrogenase MoFe protein. An MCD spectroscopic study was undertaken on the Delta nifB Delta nifZ MoFe protein generated in the absence of both NifZ and NifB (deletion of NifB generates an apo-MoFe protein lacking the FeMo cofactor). Results presented here show that, in the absence of NifZ, only one of the two P-clusters of the MoFe protein is matured to the ultimate [8Fe-7S] structure. The other P-cluster site in the protein contains a [4Fe-4S] cluster pair, representing a P-cluster precursor that is electronically identical to the analogous clusters observed in the Delta nifH MoFe protein. These results suggest that the MoFe protein is synthesized in a stepwise fashion where NifZ is specifically required for the formation of the second P-cluster.

  11. Annual Site Environmental Report: 2005

    Energy Technology Data Exchange (ETDEWEB)

    sabba, d

    2007-02-03

    This report provides information about environmental programs during 2005 at the Stanford Linear Accelerator Center (SLAC). Seasonal activities that span calendar years are also included. Production of an annual site environmental report (ASER) is a requirement established by the United States Department of Energy (DOE) for all management and operating (M&O) contractors throughout the DOE complex. SLAC is a federally-funded research and development center with Stanford University as the M&O contractor. SLAC effectively applied environmental management in meeting the site's integrated safety and environmental management system (ISEMS) goals. For normal daily activities, all SLAC managers and supervisors are responsible for ensuring that proper procedures are followed so that: (1) Worker safety and health are protected; (2) The environment is protected; and (3) Compliance is ensured. Throughout 2005, SLAC focused on these activities through the SLAC management systems (described in Chapter 3). These systems were also the way SLAC approached implementing ''greening of the government'' initiatives such as Executive Order 13148. The management systems at SLAC are effective, supporting compliance with all relevant statutory and regulatory requirements. There were no reportable releases to the environment from SLAC operations during 2005. In addition, many improvements were continued during 2005, in waste minimization, recycling, stormwater drain system, groundwater restoration, and implementing a chemical management system (CMS) to better manage chemical use. Program-specific details are discussed.

  12. Annual Site Environmental Report: 2002

    Energy Technology Data Exchange (ETDEWEB)

    Nuckolls, H.; /SLAC

    2006-04-19

    This report provides information about environmental programs during 2002 at the Stanford Linear Accelerator Center (SLAC). Seasonal activities that span calendar years are also included. Production of an annual site environmental report (ASER) is a requirement established by the United States Department of Energy (DOE) for all management and operating (M&O) contractors throughout the DOE complex. SLAC is a federally-funded, research and development center with Stanford University as the M&O contractor. The most noteworthy information in this report is summarized in this section. This summary demonstrates the effective application of SLAC environmental management in meeting the site's integrated safety management system (ISMS) goals. For normal daily activities, all SLAC managers and supervisors are responsible for ensuring that proper procedures are followed so that worker safety and health are protected; the environment is protected; and compliance is ensured. Throughout 2002, SLAC focused on these activities through the SLAC management systems (described in Chapter 3). These systems were also the way SLAC approached implementing ''greening of the government'' initiatives such as Executive Order 13148. The management systems at SLAC are effective, supporting compliance with all relevant statutory and regulatory requirements. SLAC did not receive any notices of violation during 2002. In addition, many improvements were continued during 2002, in decreasing air emission rates, the storm drain system, groundwater restoration, and planning for a chemical management system to manage chemical use better.

  13. Synthesis and characterization of LnAg(WO{sub 4})(MoO{sub 4})

    Energy Technology Data Exchange (ETDEWEB)

    Fernandez-Martinez, F. [Universidad Politecnica de Madrid, E.U.I.T. Industrial, Ronda de Valencia 3, 28012 Madrid (Spain)], E-mail: francisco.fernandezm@upm.es; Colon, C.; Montero, J.L.; Atanes, E. [Universidad Politecnica de Madrid, E.U.I.T. Industrial, Ronda de Valencia 3, 28012 Madrid (Spain); Rivero, C. [Universidad Politecnica de Madrid, E.T.S.I. Telecomunicaciones, Avda. Complutense s/n, Ciudad Universitaria, 28040 Madrid (Spain)

    2008-02-28

    Polycrystalline LnAg(WO{sub 4})(MoO{sub 4}) powders, with Ln = La to Lu and Y, have been obtained by ceramic method. Rietveld refinement for all compounds reveals that they present tetragonal symmetry, space group I4{sub 1}/a (No. 88), where the Ln{sup 3+}/Ag{sup +} ions are located in the 4a atomic positions, since the W/Mo are randomly distributed into 4b crystal sites. In these compounds, a and b lattice parameters take values between those corresponding to tungstate and molybdate compounds. A progressive decrease in the lattice parameters is observed in going from La to Lu derivatives as a consequence of the well-known lanthanide contraction.

  14. Ordering in rapidly solidified Ni/sub 2/Mo

    International Nuclear Information System (INIS)

    Kulkarni, U.D.; Dey, G.K.; Banerjee, S.

    1988-01-01

    Ordering processes in the Ni-Mo system have been a subject of several investigations. Although the ordering behaviour of the Ni/sub 4/Mo and the Ni/sub 3/Mo has been examined in detail, no such study has been reported in the case of the Ni/sub 2/Mo alloy. The lack of experimental work on ordering transformations in Ni/sub 2/Mo is presumably due to the difficulty in obtaining a single phase fcc alloy of this composition. Enhanced solid solubility of Mo in Ni, which accompanies rapid solidification processing (RSP) makes the formation of such a phase possible. The ordering processes in Ni-Mo based alloys show several remarkable features. Firstly, the alloy (15 - 28 at % Mo) quenched from the α -phase filed exhibit a short range order (SRO) characterized by the presence of intensity maxima at /1 1/2 0/ fcc positions of the reciprocal space. This state of SRO has been attributed to the occurrence of 1 1/2 O spinodal ordering in the system. Secondly, the transformation from the state of SRO to the equilibrium/metastable coherent long range ordered (LRO) structures appears to take place in a continuous manner at relatively low temperatures of aging. Three different coherent LRO structures, namely: the equilibrium Ni/sub 4/Mo (prototype structure D1/sub a/) and the metastable Ni/sub 3/Mo (DO/sub 22/) and Ni/sub 2/Mo (Pt/sub 2/Mo) structures have reported to evolve from the SRO alloy, depending upon the aging treatment and the composition of the alloy

  15. Computational identification of MoRFs in protein sequences.

    Science.gov (United States)

    Malhis, Nawar; Gsponer, Jörg

    2015-06-01

    Intrinsically disordered regions of proteins play an essential role in the regulation of various biological processes. Key to their regulatory function is the binding of molecular recognition features (MoRFs) to globular protein domains in a process known as a disorder-to-order transition. Predicting the location of MoRFs in protein sequences with high accuracy remains an important computational challenge. In this study, we introduce MoRFCHiBi, a new computational approach for fast and accurate prediction of MoRFs in protein sequences. MoRFCHiBi combines the outcomes of two support vector machine (SVM) models that take advantage of two different kernels with high noise tolerance. The first, SVMS, is designed to extract maximal information from the general contrast in amino acid compositions between MoRFs, their surrounding regions (Flanks), and the remainders of the sequences. The second, SVMT, is used to identify similarities between regions in a query sequence and MoRFs of the training set. We evaluated the performance of our predictor by comparing its results with those of two currently available MoRF predictors, MoRFpred and ANCHOR. Using three test sets that have previously been collected and used to evaluate MoRFpred and ANCHOR, we demonstrate that MoRFCHiBi outperforms the other predictors with respect to different evaluation metrics. In addition, MoRFCHiBi is downloadable and fast, which makes it useful as a component in other computational prediction tools. http://www.chibi.ubc.ca/morf/. © The Author 2015. Published by Oxford University Press. All rights reserved. For Permissions, please email: journals.permissions@oup.com.

  16. Atomic structure calculations of Mo XV-XL

    International Nuclear Information System (INIS)

    Kubo, Hirotaka; Sugie, Tatsuo; Shiho, Makoto; Suzuki, Yasuo; Ishii, Keishi; Maeda, Hikosuke.

    1986-06-01

    Energy levels and oscillator strengths were calculated for Mo XV - Mo XL. The computer program for atomic structure calculation, developed by Dr. Robert D. Cowan, Los Alamos National Laboratory, was used in the present work. The scaled energy parameters were empirically determined from the observed spectral data. We present wavelengths and transition probabilities of Mo XV-XL. Energy levels and spectral patterns are presented in figures that are useful for the identification of spectral lines. (author)

  17. Intermediate report of MoReMo. Modelling resilience for maintenance and outage

    Energy Technology Data Exchange (ETDEWEB)

    Oedewald, P.; Macchi, L. (VTT Technical Research Centre of Finland (Finland)); Axelsson, C. (Ringhals AB, Vattenfall AB (Sweden)); Eitrheim, M.H.R. (Institute for Energy Technology (Norway))

    2012-02-15

    Resilience Engineering (RE) is a new approach to safety that helps organisations and individuals adapt to unforeseen events and long-term changes. Such an approach is needed by nuclear power plants (NPPs) as they face demanding modification projects, high staff turnover and increased pressures to maintain and improve safety. The goal of the Modelling Resilience for Maintenance and Outage (MoReMO) project is to develop and test models and methods to identify and analyse resilience in safety-critical activities in natural everyday settings. In 2011, we have applied four approaches in different case studies: Organisational Core Task modelling (OCT), Functional Resonance Analysis Method (FRAM), Efficiency Thoroughness Trade-Off (ETTO) analysis, and Work Practice and Culture Characterisation. The project has collected data through observations, interviews and document reviews at two NPPs. Together, the four approaches have provided valuable insights for understanding the rationale behind work practices, their effects on safety, and the support of flexibility and adaptability. In 2012, the MoReMO project will complete the data collection and integrate results on how resilience can be operationalized in practical safety management tools for the companies. (Author)

  18. Sheet-like of Mo –Sm assembly containing [Mo (CN)8 ] and Sm ions ...

    Indian Academy of Sciences (India)

    Administrator

    421–427. © Indian Academy of Sciences. 421 ... Department of Chemistry, Nankai University, Tianjin, 300071, PR China e-mail: ... [Mo(CN)8]3– building blocks, this paper details the ..... 20601014), and National Basic Research Program of.

  19. IEA Mobility Model (MoMo) and its use in the ETP 2008

    International Nuclear Information System (INIS)

    Fulton, Lew; Cazzola, Pierpaolo; Cuenot, Francois

    2009-01-01

    The IEA published 'Energy Technology Perspectives' (ETP) in June 2008. That document reports on IEA scenarios for baseline and low-CO 2 alternative scenarios to 2050, across the energy economy. The study included creating scenarios for transport, using the IEA Mobility Model (MoMo). This paper reports on the transport-related ETP scenarios and describes the model used in the analysis. According to the ETP Baseline scenario, world transport energy use and CO 2 emissions will more than double by 2050. In the most challenging scenario, called 'BLUE', transport emissions are reduced by 70% in 2050 compared to their baseline level in that year (and about 25% below their 2005 levels). There are several versions of the BLUE scenario, but all involve: a 50% or greater improvement in LDV efficiency, 30-50% improvement in efficiency of other modes (e.g. trucks, ships and aircraft), 25% substitution of liquid fossil fuels by biofuels, and considerable penetration of electric and/or fuel-cell vehicles. In the second half of this paper, an overview of the MoMo model is provided. Details on the complete analysis are contained in the ETP 2008 document, available at (www.iea.org). Details of the LDV fuel economy analysis are contained in a separate paper in this collection.

  20. Intermediate report of MoReMo. Modelling resilience for maintenance and outage

    International Nuclear Information System (INIS)

    Oedewald, P.; Macchi, L.; Axelsson, C.; Eitrheim, M.H.R.

    2012-02-01

    Resilience Engineering (RE) is a new approach to safety that helps organisations and individuals adapt to unforeseen events and long-term changes. Such an approach is needed by nuclear power plants (NPPs) as they face demanding modification projects, high staff turnover and increased pressures to maintain and improve safety. The goal of the Modelling Resilience for Maintenance and Outage (MoReMO) project is to develop and test models and methods to identify and analyse resilience in safety-critical activities in natural everyday settings. In 2011, we have applied four approaches in different case studies: Organisational Core Task modelling (OCT), Functional Resonance Analysis Method (FRAM), Efficiency Thoroughness Trade-Off (ETTO) analysis, and Work Practice and Culture Characterisation. The project has collected data through observations, interviews and document reviews at two NPPs. Together, the four approaches have provided valuable insights for understanding the rationale behind work practices, their effects on safety, and the support of flexibility and adaptability. In 2012, the MoReMO project will complete the data collection and integrate results on how resilience can be operationalized in practical safety management tools for the companies. (Author)

  1. Behaviour of Co-Mo-Al/sub 2/O/sub 3/ catalysts in the hydrogenation of phenols

    Energy Technology Data Exchange (ETDEWEB)

    Weigold, H.

    1982-10-01

    The activity of a number of ring alkyl-substituted phenols in the direct hydrodeoxygenation reaction (i.e. C-O bond scission without prior ring hydrogenation) in the presence of a commercial Co-Mo-Al/sub 2/O/sub 3/ catalyst has been investigated. The results indicate that the catalytically active site is stereochemically demanding. It is proposed that the phenol ring hydrogenation and the direct hydrodeoxygenation reaction proceed on the same catalytic site. The ease of the direct hydrodeoxygenation reaction is retarded mainly when transfer of the substrate hydroxyl group onto a co-ordinatively unsaturated metal site on the catalyst is inhibited. This occurs when the catalyst hydroxyl group receptor site is occupied by a co-ordinating ligand (poison) or when substituents on the substrate direct the phenolic hydroxyl group away from this metal site. The catalytic behaviour of Co-Mo-Al/sub 2/O/sub 3/ can be 'transformed' to resemble more closely that of Ni-Mo-Al/sub 2/O/sub 3/ (high reductive capacity) when the reaction medium contains both excess H/sub 2/S and a co-ordinating ligand. It is proposed that this 'transformed' species is of importance in hydrodenitrogenation reactions in an H/sub 2/S-rich environment.

  2. Conceptual study of 99Mo production in JRR-3

    International Nuclear Information System (INIS)

    Hirose, Akira; Komeda, Masao; Kinase, Masami; Sorita, Takami; Wada, Shigeru

    2010-06-01

    We investigated the production process of 99 Mo, which is parent nuclide of 99m Tc, in JRR-3. 99m Tc is most commonly used as a radiopharmaceutical in the field of nuclear medicine. Currently the supplying of 99 Mo is only dependent on imports from foreign countries, so JAEA is aiming at domestic production of a part of 99 Mo in cooperation with the industrial arena. This report presents the technical study for the production process of 99 Mo by using the neutron radiation method of (n, γ) reaction in JRR-3. (author)

  3. Development of Commercial-scale Fission Mo-99 Production System

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Seung-Kon; Lee, Suseung; Hong, Soon-Bog; Jang, Kyung-Duk; Park, Ul Jael; Lee, Jun Sig [Korea Atomic Energy Research Institute, Daejeon (Korea, Republic of)

    2016-10-15

    These days, worldwide {sup 99} Mo supply is not only insufficient but also unstable. Because, most of the main {sup 99}Mo production reactors are more than years old and suffered from frequent and unscheduled shutdown. Therefore, movement to replace old reactors to keep stable supply is now active. Under these conditions, KAERI (Korea Atomic Energy Research Institute) is developing LEU-based fission {sup 99}Mo production process which is connected to the new research reactor (Kijang New Research Reactor, KJRR), which is being constructed in Gijang, Busan, Korea. Historically, the most fission {sup 99}Mo producers have been used highly enriched uranium (HEU) targets so far. However, to reduce the use of HEU in private sector for non-proliferation, {sup 99}Mo producers are forced to convert their HEU-based process to use low enriched uranium (LEU) targets. Economic impact of a target conversion from HEU to LEU is significant. In this study, fission {sup 99}Mo process with non-irradiated LEU targets was presented except separation and purification steps. Pre- and post-irradiation tests of the fission {sup 99}Mo target will be done in 4th quarter of 2016. For the fission Mo production process development, hot experiments with irradiated LEU targets will be done in 4th quarter of 2016. Then, verification of the production process with quality control will be followed until the commercial production of fission {sup 99}Mo scheduled in 2019.

  4. Faceted MoS2 nanotubes and nanoflowers

    International Nuclear Information System (INIS)

    Deepak, Francis Leonard; Mayoral, Alvaro; Yacaman, Miguel Jose

    2009-01-01

    A simple synthesis of novel faceted MoS 2 nanotubes (NTs) and nanoflowers (NFs) starting from molybdenum oxide and thiourea as the sulphur source is reported. The MoS 2 nanotubes with the faceted morphology have not been observed before. Further the as-synthesized MoS 2 nanotubes have high internal surface area. The nanostructures have been characterized by a variety of electron microscopy techniques. It is expected that these MoS 2 nanostrutures will find important applications in energy storage, catalysis and field emission.

  5. Synthesis of nanometre-thick MoO3 sheets

    Science.gov (United States)

    Kalantar-Zadeh, Kourosh; Tang, Jianshi; Wang, Minsheng; Wang, Kang L.; Shailos, Alexandros; Galatsis, Kosmas; Kojima, Robert; Strong, Veronica; Lech, Andrew; Wlodarski, Wojtek; Kaner, Richard B.

    2010-03-01

    The formation of MoO3 sheets of nanoscale thickness is described. They are made from several fundamental sheets of orthorhombic α-MoO3, which can be processed in large quantities via a low cost synthesis route that combines thermal evaporation and mechanical exfoliation. These fundamental sheets consist of double-layers of linked distorted MoO6 octahedra. Atomic force microscopy (AFM) measurements show that the minimum resolvable thickness of these sheets is 1.4 nm which is equivalent to the thickness of two double-layers within one unit cell of the α-MoO3 crystal.

  6. Effect of rare earth elements yttrium and lanthanum on high temperature oxidation resistance of Mo-Si-B alloys

    International Nuclear Information System (INIS)

    Majumdar, Sanjib

    2014-01-01

    In the present investigation, 0.2 to 2 at% Y and La alloyed Mo-9Si-8B were consolidated using mechanical alloying followed by spark plasma sintering. Isothermal oxidation studies were conducted in a wide temperature range from 650 to 1300℃. Detailed characterization studies of the oxide scale using SEM, EDS, FIB, TEM reveal the formation of Y x Mo 18 O 32 and 3La 2 O 3 ·MoO 3 oxide phases, respectively, for Y and La-containing alloys reduce the evaporation of MoO 3 . The growth rate of protective silica scale is also enhanced due to faster formation of Y and La rich oxide particles which probably act as nucleation sites for silica. At higher temperatures (at 1100℃), the oxidation behavior of unalloyed and RE-alloyed Mo-9Si-8B are comparable. A transient weight loss followed by a steady state is reached due to protective amorphous silica-rich scale formation beyond 1100℃. Therefore, alloying with rare earth elements provides a broader application temperature window for silicide based materials starting from 750℃ to 1300℃

  7. Effect of Ni on the characteristics and hydrogenation activity of sulfide Mo/{gamma}-Al{sub 2}O{sub 3}

    Energy Technology Data Exchange (ETDEWEB)

    Schachtl, E.; Wuttke, E.; Gutierrez, O.Y.; Lercher, J.A. [Technische Univ. Muenchen, Garching (Germany). Dept. of Chemistry and Catalysis Research Center

    2012-07-01

    The hydrogenation of phenanthrene was explored on sulfide Mo/{gamma}-Al{sub 2}O{sub 3} catalysts promoted with increasing concentrations of Ni. The characterization of the materials was done by N{sub 2}-physisorption, X-ray diffraction, transmission electron microscopy, temperature programmed sulfidation and NO adsorption experiments. Increasing loading of Ni improves the dispersion of MoS{sub 2} species; however, at Ni/(Mo+Ni) molar ratio higher than 0.5, segregation of Ni-sulfides is observed. The presence of Ni also facilitates the sulfidation of oxidic catalyst precursors by lowering the reduction temperature of Mo species. In the sulfide catalysts, Ni changes the structure of MoS{sub 2} leading to shorter slabs with higher stacking degree than on Mo/{gamma}-Al{sub 2}O{sub 3}, and increases the concentration of coordinatively unsaturated sites. The kinetic results (increased hydrogenation rate and changed reaction network in the presence of Ni) suggest that a highly active kind of active site is created by Ni promotion. (orig.)

  8. A study of HANARO core conversion using high density U-Mo fuel

    International Nuclear Information System (INIS)

    Lee, K.H.; Lee, C.S.; Lee, B.C.; Park, S.J.; Kim, H.; Kim, C.K.

    2002-01-01

    Currently, HANARO is using 3.15gU/cc U3Si/Al as a driver fuel. HANARO has seven vertical irradiation holes in the core region. Three of them including a central trap are located in the inner region of the core and mainly being used for material irradiation tests. Four of them are located in the reflector tank but cooled by primary coolant. They are used for fuel irradiation tests or radioisotope development tests. For minimum core modification using high density U-Mo fuels, no dimension change is assumed in the current fuel rods and the cladding thickness remains the same in this study. The high density U-Mo fuel will have up to about twice the linear uranium loading of a current HANARO driver fuel. Using this high density fuel 8 fuel sites can be replaced with irradiation sites. Three kinds of conceptual cores are considered using 5 gU/cc U-7Mo/Al and 16 gU/cc U-7Mo. The increase of the linear heat generation rate due to the decrease of total fuel length can be overcome by more uniform radial and axial power distribution using different uranium densities and different fuel meat diameters are introduced into those cores. The new core has 4.54 times larger surface-to-volume ratio than the reference core. The core uranium loading, linear heat generation rate, excess reactivity, and control rod worth as well as the neutron spectra are analysed for each core. (author)

  9. Comparative study of NiW, NiMo and MoW prepared by mechanical alloying

    International Nuclear Information System (INIS)

    Gonzalez, G.; Sagarzazu, A.; Villalba, R.; Ochoa, J.

    2007-01-01

    The present work concern the amorphisation process induced by mechanical alloying in the NiW, NiMo and MoW systems. The alloys chosen combine a group of transition elements varying from very similar atomic radius and electronic valences (MoW) to different ones (NiW and NiMo). The three systems achieved an amorphous state after 50 h of milling. The mechanism of amorphisation proposed for NiW and NiMo was the combined effect of an excess concentration of the solute atoms entering into the structure of one of the elements and a critical concentration of defects. Continuous formation of an amorphous phase at the interface of the crystalline phase was observed during the process. MoW seems to amorphize by continuous reduction of grain size down to a critical value where the amorphisation takes place

  10. Phase equilibria in the CdMoO4-Gd2(MoO4)3 system

    International Nuclear Information System (INIS)

    Tunik, T.A.; Fedorov, N.F.; Razumovskij, S.N.

    1980-01-01

    The constitutional diagram of the CdMoO 4 -Cd 2 (MoO 4 ) 3 system has been plotted using statistical and dynamic methods as well as a complex of instrumental analysis procedures. Three major phases have been found to occur in the systems, viz.: CdMoO 4 based solid solutions that crystallize in the range from 0 to 25 mol.percent of Cd 2 (MoO 4 ) 3 and pass in transit the two-phase narrow region becoming then solid solutions having a distorted scheelite structure and existing in concentrations from 40 to 65 mol.% of Cd 2 (MoO 4 ) 3 . The entire range, in which the Cd 2 (MoO 4 ) 3 solid solutions can exist, amounts to less than 5 mol.%. Certain crystallochemical constants of the phases that occur in the system have been determined [ru

  11. Mambertiite, BiMo"5"+_2_._8_0O_8(OH), a new mineral from Su Seinargiu, Sardinia, Italy: occurrence, crystal structure, and relationships with gelosaite

    International Nuclear Information System (INIS)

    Orlandi, Paolo; Biagioni, Cristian; Pasero, Marco; Merlino, Stefano; Demartin, Francesco; Campostrini, Italo

    2015-01-01

    Mambertiite, BiMo"5"+_2_._8_0O_8(OH), is a new mineral identified in small vugs of quartz veins from Su Seinargiu, Sarroch, Cagliari, Sardinia, Italy. It occurs as pale yellow {001} tabular crystals, up to 1 mm in length and few μm thick, with adamantine lustre. Mambertiite is brittle, with a conchoidal fracture. It is associated with ferrimolybdite, muscovite, quartz, sardignaite, and wulfenite. Electron microprobe data (wt% - mean of 12 spot analyses) are: Mo_2O_5 59.59, Bi_2O_3 36.96, WO_3 2.03, H_2O_c_a_l_c 1.48, sum 100.06. On the basis of 9 O atoms per formula unit, the empirical formula is Bi_0_._9_9(Mo"5"+_2_._7_4W_0_._0_5)_Σ_2_._7_9O_7_._9_7(OH)_1_._0_3. Infrared spectra showed absorption bands consistent with the occurrence of OH- groups. Mambertiite is triclinic, space group P1, with a = 5.854(2), b = 9.050(3), c = 7.637(3) Aa, α = 112.85(1), β = 102.58(1), γ = 90.04(1) , V = 362.3(2) Aa"3, Z = 2. The crystal structure of mambertiite was solved and refined down to R_1 = 0.050 on the basis of 2019 observed [F_o>4σ(F_o)] reflections. It is composed by eight-fold coordinated Bi-centred polyhedra and five independent Mo-centred octahedra. Among the latter, two are completely occupied by molybdenum, whereas the remaining three are only partially occupied. Two kinds of (10 anti 1) layers occur in mambertiite, alternating along [10 anti 1]*: one is composed by Bi-centered polyhedra and the two partially occupied Mo_4 and Mo_5 sites, whereas the other is composed by the zigzag chains, running along c, formed by the fully occupied Mo_1 and Mo_2 sites, and the partially occupied Mo_3 site. Mambertiite is structurally related to gelosaite, BiMo"6"+_2O_7(OH) . H_2O; their relationships can be conveniently described through the OD theory. Mambertiite is the fourth known mineral with Bi and Mo as essential components. Its name honours the Italian mineral collector Marzio Mamberti (b. 1959) for his contribution to the knowledge of the Sardinian mineralogy. The

  12. Superfund Sites

    Data.gov (United States)

    National Oceanic and Atmospheric Administration, Department of Commerce — This layer represents active Superfund Sites published by the Environmental Protection Agency (EPA). These data were extracted from the Superfund Enterprise...

  13. Site development

    International Nuclear Information System (INIS)

    Noack, J.

    1975-01-01

    The subject of this paper is a general view over all necessary considerations to develop the site after it has been chosen and before starting with the construction of a nuclear power plant. (orig./RW) [de

  14. Site selection

    International Nuclear Information System (INIS)

    Olsen, C.W.

    1983-07-01

    The conditions and criteria for selecting a site for a nuclear weapons test at the Nevada Test Site are summarized. Factors considered are: (1) scheduling of drill rigs, (2) scheduling of site preparation (dirt work, auger hole, surface casing, cementing), (3) schedule of event (when are drill hole data needed), (4) depth range of proposed W.P., (5) geologic structure (faults, Pz contact, etc.), (6) stratigraphy (alluvium, location of Grouse Canyon Tuff, etc.), (7) material properties (particularly montmorillonite and CO 2 content), (8) water table depth, (9) potential drilling problems (caving), (10) adjacent collapse craters and chimneys, (11) adjacent expended but uncollapsed sites, (12) adjacent post-shot or other small diameter holes, (13) adjacent stockpile emplacement holes, (14) adjacent planned events (including LANL), (15) projected needs of Test Program for various DOB's and operational separations, and (16) optimal use of NTS real estate

  15. Phase equilibria in the system Li2O - MoO3 - Sc2O3

    International Nuclear Information System (INIS)

    Safonov, V.V.; Chaban, N.G.; Porotnikov, N.V.

    1984-01-01

    Using the methods of DTA and X-ray phase analysis, interaction of components in the system Li 2 O-MoO 3 -Sc 2 O 3 in concentration range, adjacent to the vertex of MoO 3 , has been studied. Projection of the Li 2 MoO 4 -MoO 3 -Sc 2 (MoO 4 ) 3 system liquidus on concentrational triangle of the compositions Li 2 O-MoO 3 -Sc 2 O 3 , which consists of the fields of primary separation of Li 2 MoO 4 , Li 2 Mo 5 O 17 , Li 2 Mo 4 O 13 , MoO 3 , Sc 2 (MoO 4 ) 3 , Li 3 Sc(MoO 4 ) 3 and LiSc(MoO 4 ) 2 , is built

  16. -MoS2 Lateral Heterojunctions

    KAUST Repository

    Li, Ming-yang

    2018-02-28

    2D layered heterostructures have attracted intensive interests due to their unique optical, transport, and interfacial properties. The laterally stitched heterojunction based on dissimilar 2D transition metal dichalcogenides forms an intrinsic p–n junction without the necessity of applying an external voltage. However, no scalable processes are reported to construct the devices with such lateral heterostructures. Here, a scalable strategy, two-step and location-selective chemical vapor deposition, is reported to synthesize self-aligned WSe2–MoS2 monolayer lateral heterojunction arrays and demonstrates their light-emitting devices. The proposed fabrication process enables the growth of high-quality interfaces and the first successful observation of electroluminescence at the WSe2–MoS2 lateral heterojunction. The electroluminescence study has confirmed the type-I alignment at the interface rather than commonly believed type-II alignment. This self-aligned growth process paves the way for constructing various 2D lateral heterostructures in a scalable manner, practically important for integrated 2D circuit applications.

  17. Synthesis of α-MoC1-x Nanoparticles with a Surface-Modified SBA-15 Hard Template: Determination of Structure-Function Relationships in Acetic Acid Deoxygenation.

    Science.gov (United States)

    Baddour, Frederick G; Nash, Connor P; Schaidle, Joshua A; Ruddy, Daniel A

    2016-07-25

    Surface modification of mesoporous SBA-15 silica generated a hydrophobic environment for a molybdenum diamine (Mo-diamine) precursor solution, enabling direct growth of isolated 1.9±0.4 nm α-MoC1-x nanoparticles (NPs) inside the pores of the support. The resulting NP catalysts are bifunctional, and compared to bulk α-MoC1-x and β-Mo2 C, the NPs exhibit a greater acid-site:H-site ratio and a fraction of stronger acid sites. The greater acid-site:H-site ratio results in higher decarbonylation (DCO) selectivity during acetic acid hydrodeoxygenation (HDO) reactions, and the stronger acid sites lead to higher activity and ketonization (KET) selectivity at high temperatures. The hard-templating synthetic method could be a versatile route toward carbide NPs of varying size, composition, and phase, on a range of mesoporous oxide supports. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  18. Comparison of P-containing {gamma}-Al{sub 2}O{sub 3} supported Ni-Mo bimetallic carbide, nitride and sulfide catalysts for HDN and HDS of gas oils derived from Athabasca bitumen

    Energy Technology Data Exchange (ETDEWEB)

    Sundaramurthy, V.; Dalai, A.K. [Catalysis and Chemical Reaction Engineering Laboratories, Department of Chemical Engineering, University of Saskatchewan, Saskatoon, SK (Canada); Adjaye, J. [Syncrude Edmonton Research Centre, Edmonton, AB (Canada)

    2006-09-01

    Phosphorus containing {gamma}-Al{sub 2}O{sub 3} supported bimetallic Ni-Mo carbide, nitride and sulfide catalysts have been synthesized from an oxide precursor containing 12.73wt.% Mo, 2.54wt.% Ni and 2.38wt.% P and characterized by elemental analysis, pulsed CO chemisorption, surface area measurements, X-ray diffraction, temperature-programmed reduction and DRIFT spectroscopy of CO adsorption. DRIFT spectroscopy of adsorbed CO on activated catalysts showed that carbide and nitride catalysts have surface exposed sites of Mo{sup o+} (0Mo{sup {delta}}{sup +} (0<{delta}<2) sites respectively, and these sites are susceptible to sulfidation with H{sub 2}S/H{sub 2} mixture at 370{sup o}C. The hydrodenitrogenation (HDN) and hydrodesulfurization (HDS) activities of the bimetallic Ni-Mo carbide, nitride and sulfide catalysts were compared against commercial Ni-Mo/Al{sub 2}O{sub 3} catalyst in a trickle bed reactor using light gas oil and heavy gas oil derived from Athabasca bitumen in the temperature range 340-370 and 375-400{sup o}C respectively at 8.8MPa. The gradual transformation of Ni-Mo carbide and nitride phases into Ni-Mo sulfide phases was observed during precoking period, and the formed Ni-Mo sulfide phases enhanced the HDN and HDS activities of carbide and nitride catalysts. The {gamma}-Al{sub 2}O{sub 3} supported Ni-Mo bimetallic sulfide catalyst was found to be more active for HDN and HDS of light gas oil and heavy gas oil than the corresponding carbide and nitride catalysts on the basis of unit weight. (author)

  19. Voltage profile, structural prediction, and electronic calculations for MgxMo6S8

    CSIR Research Space (South Africa)

    Kganyago, KR

    2003-03-01

    Full Text Available the binary Mo6S8 and MgAMo6S8 ~see Table III!, the Mo-Mo distances decrease by (0.521)%. This decrease corresponds to an an- isotropic contraction of the Mo6 octahedron. The Mo cluster of the rhombohedral compounds forms an elongated octahe- dron of symmetry...

  20. Lattice structures and electronic properties of MO/MoSe2 interface from first-principles calculations

    Science.gov (United States)

    Zhang, Yu; Tang, Fu-Ling; Xue, Hong-Tao; Lu, Wen-Jiang; Liu, Jiang-Fei; Huang, Min

    2015-02-01

    Using first-principles plane-wave calculations within density functional theory, we theoretically studied the atomic structure, bonding energy and electronic properties of the perfect Mo (110)/MoSe2 (100) interface with a lattice mismatch less than 4.2%. Compared with the perfect structure, the interface is somewhat relaxed, and its atomic positions and bond lengths change slightly. The calculated interface bonding energy is about -1.2 J/m2, indicating that this interface is very stable. The MoSe2 layer on the interface has some interface states near the Fermi level, the interface states are mainly caused by Mo 4d orbitals, while the Se atom almost have no contribution. On the interface, Mo-5s and Se-4p orbitals hybridize at about -6.5 to -5.0 eV, and Mo-4d and Se-4p orbitals hybridize at about -5.0 to -1.0 eV. These hybridizations greatly improve the bonding ability of Mo and Se atom in the interface. By Bader charge analysis, we find electron redistribution near the interface which promotes the bonding of the Mo and MoSe2 layer.

  1. First-principles study of van der Waals interactions in MoS2 and MoO3

    International Nuclear Information System (INIS)

    Peelaers, H; Van de Walle, C G

    2014-01-01

    Van der Waals interactions play an important role in layered materials such as MoS 2 and MoO 3 . Within density functional theory, several methods have been developed to explicitly include van der Waals interactions. We compare the performance of several of these functionals in describing the structural and electronic properties of MoS 2 and MoO 3 . We include functionals based on the local density or generalized gradient approximations, but also based on hybrid functionals. The coupling of the semiempirical Grimme D2 method with the hybrid functional HSE06 is shown to lead to a very good description of both structural and electronic properties. (paper)

  2. The fracture toughness and DBTT of MoB particle-reinforced MoSi2 composites

    International Nuclear Information System (INIS)

    Xiong Zhi; Wang Gang; Jiang Wan

    2005-01-01

    The room temperature fracture toughness and the high temperature DBTT of MoB particle-reinforced MoSi 2 composites were investigated using Vickers indentation technique and MSP testing method, respectively. Modified small punch (MSP) test is a method for evaluation of mechanical properties using very small specimens, and it's appropriate for the determination of strength and DBTT. It was found that the approximate fracture toughness of the composite is 1.3 times that of monolithic MoSi 2 , and its DBTT is 100 C higher than that of monolithic MoSi 2 materials. Cracks deflection is a probable mechanism responsible for this behavior. (orig.)

  3. Magnetoresistance in Co/2D MoS2/Co and Ni/2D MoS2/Ni junctions.

    Science.gov (United States)

    Zhang, Han; Ye, Meng; Wang, Yangyang; Quhe, Ruge; Pan, Yuanyuan; Guo, Ying; Song, Zhigang; Yang, Jinbo; Guo, Wanlin; Lu, Jing

    2016-06-28

    Semiconducting single-layer (SL) and few-layer MoS2 have a flat surface, free of dangling bonds. Using density functional theory coupled with non-equilibrium Green's function method, we investigate the spin-polarized transport properties of Co/2D MoS2/Co and Ni/2D MoS2/Ni junctions with MoS2 layer numbers of N = 1, 3, and 5. Well-defined interfaces are formed between MoS2 and metal electrodes. The junctions with a SL MoS2 spacer are almost metallic owing to the strong coupling between MoS2 and the ferromagnets, while those are tunneling with a few layer MoS2 spacer. Both large magnetoresistance and tunneling magnetoresistance are found when fcc or hcp Co is used as an electrode. Therefore, flat single- and few-layer MoS2 can serve as an effective nonmagnetic spacer in a magnetoresistance or tunneling magnetoresistance device with a well-defined interface.

  4. Mo-99 supply issues: Status report and lessons learned

    International Nuclear Information System (INIS)

    Ponsard, B.

    2010-01-01

    The worldwide supply of 99 Mo relies on a limited number of research reactors and processing facilities. Its production is essential for the nuclear medicine as 99m Tc, obtained from 99 Mo/ 99m Tc generators, is used in about 80% of the diagnostic nuclear imaging procedures. These applications represent yearly approximately 30 million examinations worldwide. The short half-life's of 99 Mo (66 hours) and its daughter 99m Tc (6 hours) require a regular supply of 99 Mo/ 99m Tc generators to hospitals or central radiopharmacies. Currently, there are only five nuclear reactors involved in the production of 99 Mo on industrial scale: NRU (Canada), HFR (Netherlands), BR2 (Belgium), OSIRIS (France) and SAFARI (South Africa). They irradiate highly enriched uranium targets for the production of about 95% of the available 99 Mo by four processing facilities: AECL/MDS NORDION (Canada), COVIDIEN (Netherlands), IRE (Belgium) and NTP (South Africa). However, these ageing reactors are subject to unscheduled shutdowns and longer maintenance periods making the 99 Mo supply chain vulnerable and unreliable. Several severe disruptions have been experienced since the fall 2005 due to the occurrence of problems at different stages of the supply chain: reactor outages, release of activity from processing facilities, recall of 99 Mo/ 99m Tc generators by the manufacturers, ... It is not expected that the situation will improve significantly in the near future. Therefore, several workshops have been organized in 2009 by the OECD Nuclear Energy Agency (NEA), the International Atomic Energy Agency (IAEA) and the Association of Imaging Producers and Equipment Suppliers (AIPES) to define measures that should be taken to secure the 99 Mo supply in the short, medium and long term. This paper summarizes the current status of the 99 Mo supply, discusses the ongoing plans for additional 99 Mo production capacity and outlines the issues for a reliable global supply chain. (author)

  5. Physical properties of monolithic U8 wt.%-Mo

    Science.gov (United States)

    Hengstler, R. M.; Beck, L.; Breitkreutz, H.; Jarousse, C.; Jungwirth, R.; Petry, W.; Schmid, W.; Schneider, J.; Wieschalla, N.

    2010-07-01

    As a possible high density fuel for research reactors, monolithic U8 wt.%-Mo ("U8Mo") was examined with regard to its structural, thermal and electric properties. X-ray diffraction by the Bragg-Brentano method was used to reveal the tetragonal lattice structure of rolled U8Mo. The specific heat capacity of cast U8Mo was determined by differential scanning calorimetry, its thermal diffusivity was measured by the laser flash method and its mass density by Archimedes' principle. From these results, the thermal conductivity of U8Mo in the temperature range from 40 °C to 250 °C was calculated; in the measured temperature range, it is in good accordance with literature data for UMo with 8 and 9 wt.% Mo, is higher than for 10 wt.% Mo and lower than for 5 wt.% Mo. The electric conductivity of rolled and cast U8Mo was measured by a four-wire method and the electron based part of the thermal conductivity calculated by the Wiedemann-Frantz law. Rolled and cast U8Mo was irradiated at about 150 °C with 80 MeV 127I ions to receive the same iodine ion density in the damage peak region as the fission product density in the fuel of a typical high flux reactor after the targeted nuclear burn-up. XRD analysis of irradiated U8Mo showed a change of the lattice parameters as well as the creation of UO 2 in the superficial sample regions; however, a phase change by irradiation was not observed. The determination of the electron based part of the thermal conductivity of the irradiated samples failed due to high measurement errors which are caused by the low thickness of the damage region in the ion irradiated samples.

  6. Characterization of the liquid Li-solid Mo (1 1 0) interface from classical molecular dynamics for plasma-facing applications

    Science.gov (United States)

    Vella, Joseph R.; Chen, Mohan; Fürstenberg, Sven; Stillinger, Frank H.; Carter, Emily A.; Debenedetti, Pablo G.; Panagiotopoulos, Athanassios Z.

    2017-11-01

    An understanding of the wetting properties and a characterization of the interface between liquid lithium (Li) and solid molybdenum (Mo) are relevant to assessing the efficacy of Li as a plasma-facing component in fusion reactors. In this work, a new second-nearest neighbor modified embedded-atom method (2NN MEAM) force field is parameterized to describe the interactions between Li and Mo. The new force field reproduces several benchmark properties obtained from first-principles quantum mechanics simulations, including binding curves for Li at three different adsorption sites and the corresponding forces on Li atoms adsorbed on the Mo (1 1 0) surface. This force field is then used to study the wetting of liquid Li on the (1 1 0) surface of Mo and to examine the Li-Mo interface using molecular dynamics simulations. From droplet simulations, we find that liquid Li tends to completely wet the perfect Mo (1 1 0) surface, in contradiction with previous experimental measurements that found non-zero contact angles for liquid Li on a Mo substrate. However, these experiments were not carried out under ultra-high vacuum conditions or with a perfect (1 1 0) Mo surface, suggesting that the presence of impurities, such as oxygen, and surface structure play a crucial role in this wetting process. From thin-film simulations, it is observed that the first layer of Li on the Mo (1 1 0) surface has many solid-like properties such as a low mobility and a larger degree of ordering when compared to layers further away from the surface, even at temperatures well above the bulk melting temperature of Li. These findings are consistent with temperature-programmed desorption experiments.

  7. MoS{sub 2}-coated microspheres of self-sensitized carbon nitride for efficient photocatalytic hydrogen generation under visible light irradiation

    Energy Technology Data Exchange (ETDEWEB)

    Gu, Quan [Key Laboratory of Applied Surface and Colloid Chemistry, Ministry of Education, School of Chemistry and Chemical Engineering, Shaanxi Normal University, Xi’an, 710062 (China); School of Materials Science and Engineering, Nanyang Technological University, 50 Nanyang Avenue, Singapore 639798 (Singapore); Sun, Huaming; Xie, Zunyuan; Gao, Ziwei [Key Laboratory of Applied Surface and Colloid Chemistry, Ministry of Education, School of Chemistry and Chemical Engineering, Shaanxi Normal University, Xi’an, 710062 (China); Xue, Can, E-mail: cxue@ntu.edu.sg [School of Materials Science and Engineering, Nanyang Technological University, 50 Nanyang Avenue, Singapore 639798 (Singapore)

    2017-02-28

    Highlights: • Successful coating of MoS{sub 2} onto self-sensitized carbon nitride microspheres. • The carbon nitride@MoS{sub 2} core-shell structure show enhanced H{sub 2} generation in visible light. • Synergistic effect of surface dyes and MoS{sub 2} coating enhances photocatalytic activities. - Abstract: We have successfully coated the self-sensitized carbon nitride (SSCN) microspheres with a layer of MoS{sub 2} through a facile one-pot hydrothermal method by using (NH{sub 4}){sub 2}MoS{sub 4} as the precursor. The resulted MoS{sub 2}-coated SSCN photocatalyst appears as a core-shell structure and exhibits enhanced visible-light activities for photocatalytic H{sub 2} generation as compared to the un-coated SSCN and the standard g-C{sub 3}N{sub 4} reference with MoS{sub 2} coating. The photocatalytic test results suggest that the oligomeric s-triazine dyes on the SSCN surface can provide additional light-harvesting capability and photogenerated charge carriers, and the coated MoS{sub 2} layer can serve as active sites for proton reduction towards H{sub 2} evolution. This synergistic effect of surface triazine dyes and MoS{sub 2} coating greatly promotes the activity of carbon nitride microspheres for vishible-light-driven H{sub 2} generation. This work provides a new way of future development of low-cost noble-metal-free photocatalysts for efficient solar-driven hydrogen production.

  8. Thermal expansion studies on Th(MoO4)2, Na2Th(MoO4)3 and Na4Th(MoO4)4

    International Nuclear Information System (INIS)

    Keskar, Meera; Krishnan, K.; Dahale, N.D.

    2008-01-01

    Thermal expansion behavior of Th(MoO 4 ) 2 , Na 2 Th(MoO 4 ) 3 and Na 4 Th(MoO 4 ) 4 was studied under vacuum in the temperature range of 298-1123 K by high temperature X-ray diffractometer. Th(MoO 4 ) 2 was synthesized by reacting ThO 2 with 2 mol of MoO 3 , at 1073 K in air and Na 2 Th(MoO 4 ) 3 and Na 4 Th(MoO 4 ) 4 were prepared by reacting Th(MoO 4 ) 2 with 1 and 2 mol of Na 2 MoO 4 , respectively at 873 K in air. The XRD data of Th(MoO 4 ) 2 was indexed on orthorhombic system where as XRD data of Na 2 Th(MoO 4 ) 3 and Na 4 Th(MoO 4 ) 4 were indexed on tetragonal system. The lattice parameters and cell volume of all the three compounds, fit into polynomial expression with respect to temperature, showed positive thermal expansion (PTE) up to 1123 K. The average value of thermal expansion coefficients for Th(MoO 4 ) 2 , Na 2 Th(MoO 4 ) 3 and Na 4 Th(MoO 4 ) 4 were determined from the high temperature data

  9. Study of the water-gas shift reaction on Mo2C/Mo catalytic coatings for application in microstructured fuel processors

    NARCIS (Netherlands)

    Rebrov, E.V.; Kuznetsov, S.A.; Croon, de M.H.J.M.; Schouten, J.C.

    2007-01-01

    The activity and stability of two types of molybdenum carbide coatings deposited on molybdenum substrates (Mo2C/Mo) were compared in the water-gas shift reaction at 513–631 K. The activity of the Mo2C/Mo coatings obtained by carburization of preoxidized molybdenum substrates in a CH4/H2 mixture at

  10. LEUbased Fission Mo-99 Process with Reduced Solid Wastes

    International Nuclear Information System (INIS)

    Lee, Seungkon; Lee, Suseung; Jung, Sunghee; Hong, Soonbog; Jang, Kyungduk; Choi, Sang Mu; Lee, Jun Sig; Lim, Incheol

    2014-01-01

    99m Tc emits 140 keV of very low gamma-ray radiation energy, as low as conventional diagnostic X-ray, and has short half-life of 6.0058 hours. Therefore, as radioactive tracer, 99m Tc provides high quality diagnostic images but keeps total patient radiation exposure low. Depending on the tagging pharmaceuticals and procedures, 99m Tc can be applied for the diagnostics of various target organs and diseases: brain, myocardium, thyroid, lungs, liver, gallbladder, kidneys, skeleton, blood and tumors. More than 95% of 99 Mo is produced through fission of 235 U worldwide because, 99m o generated from the fission (fission 99 Mo) exhibits very high specific activity (<100 Ci/g). Over 90% of fission 99 Mo producers have been used highly enriched uranium (HEU) targets so far. However, the IAEA recommends the use of low enriched uranium (LEU) to the 99 Mo producers for nonproliferation reason. These days, worldwide 99 Mo supply is not only insufficient but also unstable. Because, most of the main 99 Mo production reactors are about 50 years old and suffered from frequent and unscheduled shutdown. Planned weekly productivity of 2000 Ci fission 99 Mo, in a 6-day reference, will cover 100% domestic demand of Korea, as well as 20% of international market. It is expected to replace 4.3 million USD ($800/Ci) of 99 Mo import for domestic market while exporting 82.8 million USD for world market, annually

  11. Mullite/Mo interfaces formed by Intrusion bonding

    Energy Technology Data Exchange (ETDEWEB)

    Bartolome, Jose F.; Diaz, Marcos; Moya, Jose S.; Saiz, Eduardo; Tomsia, Antoni P.

    2003-04-30

    The microstructure and strength of Mo/mullite interfaces formed by diffusion bonding at 1650 C has been analyzed. Interfacial metal-ceramic interlocking contributes to flexural strength of approx. 140 MPa as measured by 3 point bending. Saturation of mullite with MoO2 does not affect the interfacial strength.

  12. Mo-Si-B-Based Coatings for Ceramic Base Substrates

    Science.gov (United States)

    Perepezko, John Harry (Inventor); Sakidja, Ridwan (Inventor); Ritt, Patrick (Inventor)

    2015-01-01

    Alumina-containing coatings based on molybdenum (Mo), silicon (Si), and boron (B) ("MoSiB coatings") that form protective, oxidation-resistant scales on ceramic substrate at high temperatures are provided. The protective scales comprise an aluminoborosilicate glass, and may additionally contain molybdenum. Two-stage deposition methods for forming the coatings are also provided.

  13. Preparation of a gel of zirconium molybdate for use in the generators of 99 Mo - 99m Tc prepared with 99 Mo produced by the 98 Mo(n,γ)99 Mo reaction

    International Nuclear Information System (INIS)

    Osso Junior, Joao A.; Lima, Ana Lucia V.P.; Silva, Nestor C. da; Nieto, Renata C.; Velosa, Adriana C. de

    1998-01-01

    IPEN develops a project concerning the preparation of a gel of Zirconium Molybdate for use in the generators of 99 Mo- 99m Tc . 99m Tc is the most used radioisotope in nuclear medicine diagnosis procedures and nowadays the generators are being prepared with imported 99 Mo, produced by 235 U fission. The production of 99 Mo by the 98 Mo(n, γ) 99 Mo reaction is now possible because of the power upgrade of IPEN's IEA-R1 reactor, from 2 to 5 MW. This work describes the preparation method of Zirconium Molybdate gel that will be used in the 99 Mo- 99m Tc generators. The gel is prepared by the chemical reaction between Mo, in Mo O 3 form, and Zr, in Zr O Cl 2 .8H 2 O form. After the reaction, the gel is filtered, dried and cracked with saline solution. The product is then loaded into glass columns for use as 99m Tc generator. The results showed the good quality of the gel prepared at laboratory level and of the generators evaluated. (author)

  14. Mullite/Mo interfaces formed by Intrusion bonding

    OpenAIRE

    Bartolome, Jose F.; Diaz, Marcos; Moya, Jose S.; Saiz, Eduardo; Tomsia, Antoni P.

    2003-01-01

    The microstructure and strength of Mo/mullite interfaces formed by diffusion bonding at 1650oC has been analyzed. Interfacial metal-ceramic interlocking contributes to flexural strength of approx. 140 MPa as measured by 3 point bending. Saturation of mullite with MoO2 does not affect the interfacial strength.

  15. Ammonia treated Mo/AC catalysts for CO hydrogenation with ...

    Indian Academy of Sciences (India)

    SHARIF F ZAMAN

    the influence of acid treated AC as a support with K-Ni-. Mo active ... K-Ni-Mo/AC catalyst was more selective to oxygenates. (>40% ... mineral impurities (K, Si, Sn and Fe) <1%. ...... edge technical support with thanks Science and Technology.

  16. Development of Fission Mo-99 Process for LEU Dispersion Target

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Seung Kon; Lee, Su Seung; Hong, Soon Bog; Jang, Kyung Duk; Park, Ul Jae; Lee, Jun Sig [KAERI, Daejeon (Korea, Republic of)

    2016-05-15

    KAERI (Korea Atomic Energy Research Institute) is developing LEU-based fission {sup 99}Mo production process which is connected to the new research reactor (Kijang New Research Reactor, KJRR), which is being constructed in Gijang, Busan, Korea. Historically, the most fission {sup 99}Mo producers have been used highly enriched uranium (HEU) targets so far. However, to reduce the use of HEU in private sector for non-proliferation, {sup 99}Mo producers are forced to convert their HEU-based process to use low enriched uranium (LEU) targets. Economic impact of a target conversion from HEU to LEU is significant. Overall cost for the production of the fission {sup 99}Mo increases significantly with the conversion of fission {sup 99}Mo targets from HEU to LEU. It is not only because the yield of LEU is only 50% of HEU, but also because radioactive waste production increases 200%. On the basis, worldwide efforts on the development of {sup 99}Mo production process that is optimized for the LEU target become an important issue. In this study, fission {sup 99}Mo process with non-irradiated LEU targets was presented except separation and purification steps. Pre- and post-irradiation tests of the fission {sup 99}Mo target will be done in 4th quarter of 2016.

  17. Toroidal deuteron accelerator for Mo-98 neutron activation

    International Nuclear Information System (INIS)

    Araujo, Wagner L.; Campos, Tarcisio P.R. Universidade Federal de Minas Gerais

    2017-01-01

    The radionuclide Tc- 99m is the most useful radioisotope in nuclear medicine. It can be produced by the Mo-99 beta minus decay. Mo-99 has often been produced in a high- flux nuclear reactor through radioactive neutron capture reactions on Mo-98. The present paper provides a preliminary design of a toroidal transmutation system (TTS) based on a toroidal compact deuteron accelerator, which can provide the Mo-98 transmutation into Mo-99. This system is essentially composed of a multi-aperture plasma electrode and a target, submitted to 180 kV, where a positive deuteron beam is accelerated toward a titanium-target loaded with deuterium in which nuclear d-d fusion reactions are induced. The Particle Studio package of the Computer Simulation Technology (CST) software was applied to design, simulate and optimize the deuteron beam on the target. MCNP code provided to neutronic analysis. Based on electromagnetic and neutronic simulations, the neutron yield and reaction rates were estimated. The simulated data allowed appraising the Mo-99 activity. A TTS, in a specific configuration, could produce a total deuterium current of 1.6 A at the target and a neutron yield of 10 13 n.s -1 . In a arrangement of 30 column samples, TTS provides 230 mCi s -1 Mo 99 in each column, which represents 80% of Tc-99m in secular equilibrium. As conclusion, the system holds potential for generating Mo-99 and Tc-99m in a suitable activity in secular equilibrium. (author)

  18. Development of Fission Mo-99 Process for LEU Dispersion Target

    International Nuclear Information System (INIS)

    Lee, Seung Kon; Lee, Su Seung; Hong, Soon Bog; Jang, Kyung Duk; Park, Ul Jae; Lee, Jun Sig

    2016-01-01

    KAERI (Korea Atomic Energy Research Institute) is developing LEU-based fission 99 Mo production process which is connected to the new research reactor (Kijang New Research Reactor, KJRR), which is being constructed in Gijang, Busan, Korea. Historically, the most fission 99 Mo producers have been used highly enriched uranium (HEU) targets so far. However, to reduce the use of HEU in private sector for non-proliferation, 99 Mo producers are forced to convert their HEU-based process to use low enriched uranium (LEU) targets. Economic impact of a target conversion from HEU to LEU is significant. Overall cost for the production of the fission 99 Mo increases significantly with the conversion of fission 99 Mo targets from HEU to LEU. It is not only because the yield of LEU is only 50% of HEU, but also because radioactive waste production increases 200%. On the basis, worldwide efforts on the development of 99 Mo production process that is optimized for the LEU target become an important issue. In this study, fission 99 Mo process with non-irradiated LEU targets was presented except separation and purification steps. Pre- and post-irradiation tests of the fission 99 Mo target will be done in 4th quarter of 2016

  19. 77 FR 29875 - Establishment of Class E Airspace; Houston, MO

    Science.gov (United States)

    2012-05-21

    ...-0903; Airspace Docket No. 11-ACE-20] Establishment of Class E Airspace; Houston, MO AGENCY: Federal... at Houston, MO. Controlled airspace is necessary to accommodate new Area Navigation (RNAV) Standard Instrument Approach Procedures at Houston Memorial Airport. The FAA is taking this action to enhance the...

  20. Mo-99 production by fission and future projections

    International Nuclear Information System (INIS)

    Carranza, E.C.; Novello, A.; Bronca, M.; Cestau, D.; Bavaro, R.; Centurion, R.; Bravo, C.; Bronca, P.; Gualda, E.; Fraguas, F.; Giomi, A.; Ivaldi, L.

    2012-01-01

    Description of the I-131 and Mo-99 production process: The process starts with the irradiation of uranium-aluminum mini plates in the RA-3, Argentinean Reactor No.3, Ezeiza Atomic Center. In a nuclear reactor there is a constant flow of neutrons and when a neutron with proper energy impacts on a nucleus of U-235, it is absorbed at the same time generate an unstable configuration nuclear. For this reason, the nucleus formed is fission, getting two different atoms. Approximately 6% of the fissions produce Mo-99 and 3% produce I-131; the percentage remaining corresponds to formation of atoms without interest for use in medicine. In conclusion, the objective of the process developed in the Fission Plant, is starting from uranium mini plates, separate the Mo-99 and I-131 generated, the remaining elements formed. - Evolution of Mo-99 Production in the last 10 years: The Fission Mo-99 Plant Production begins routine production of Mo-99 in 1985, using targets made of uranium enriched at 90% U-235. In the 1990s, global concern regarding the use of highly enriched uranium, due to non-proliferation issues, caused the interruption of supply of nuclear material (HEU enriched at 90% of U-235). Following this, Argentina developed target based on low-enriched uranium (less than 20% U-235), becoming in 2002 the first country in the world to produce Mo-99 with LEU targets. From 2002 to date, the activity produced of Mo-99 has been tripled annually (author)

  1. A review on the process technology for Mo-99 production

    Energy Technology Data Exchange (ETDEWEB)

    Park, Jin Hoh; Yoo, Jae Hyung; Jung, Won Myung; Lee, Kyoo Il; Woo, Moon Sik; Hwang, Doo Sung; Kim, Yun Koo [Korea Atomic Energy Research Institute, Taejon (Korea, Republic of)

    1994-07-01

    Tc-99m is most frequently used in nuclear medical diagnostics because of its favourable nuclear properties and reasonable prices, and the demand of Tc-99m, is on the increase recently. Mo-99, the parent radionuclide of Tc-99m, is the only source of Tc-99m. This review described overall aspects of process technologies for Mo-99 production. Firstly, the chemical, physical and radioactive properties of Tc-99m, Mo-99 were examined to understand Mo-99 separation process. Also, the technology for Mo-99 production with both the neutron capture and nuclear fission method were examined. But the neutron capture method was scarcely used for large production of Mo-99 because of its low specific activity and high production cost. This review also described mainly process technologies in the nuclear fission method, fabrication and condition for irradiation of targets, transport and dissolution of targets irradiated, separation and purification of Mo-99, etc. Especially, for Mo-99 separation and purification process, the characteristics, merits and demerits of various processes, which have been developed in a few countries, were examined and analyzed. 30 figs., 16 tabs., 60 refs. (Author).

  2. Highly flexible, conductive and transparent MoO3/Ag/MoO3 multilayer electrode for organic photovoltaic cells

    International Nuclear Information System (INIS)

    Abachi, T.; Cattin, L.; Louarn, G.; Lare, Y.; Bou, A.; Makha, M.; Torchio, P.

    2013-01-01

    MoO 3 /Ag/MoO 3 (MAM) multilayer structures were deposited by vacuum evaporation on polyethylene terephthalate (PET) substrate. We demonstrate that, as in the case of glass substrate, the sheet resistance of such structures depends significantly on the Ag film deposition rate. When it is deposited between 0.2 and 0.4 nm/s, an Ag thickness of 11 nm allows achieving sheet resistance of 13 Ω/sq and an averaged transmission of 74%. A study of the influence of the PET substrate on the optimum MoO 3 thicknesses was done. A good qualitative agreement between the theoretical calculations of the variation of the optical transmittance of the MoO 3 /Ag/MoO 3 structures is obtained. The optimum MAM structures MoO 3 (17.5 nm)/Ag (11 nm)/MoO 3 (35 nm) has a factor of merit F M = 4.21 10 −3 (Ω/sq) −1 . Proven by the scotch test the MAM structures exhibit a good adhesion to the PET substrates. The MAM structures were also submitted to bending tests. For outer bending, the samples exhibit no variation of their resistance value, while for inner bending there is a small increase of the resistance of the MAM structures. However this increasing is smaller than that exhibited by Indium Tin Oxide. When the PET/MAM structures are used as anode in organic photovoltaic cells, it is shown that the need to use thicker Ag films inside the multilayer and to cover the MAM with Au to obtain promising Current density vs Voltage characteristics is due to the heating of the PET substrate during the deposition process. - Highlights: • MoO 3 /Ag/MoO 3 structures deposited on polyethylene terephthalate substrate. • MoO 3 /Ag/MoO 3 structures deposited by vacuum evaporation. • The Ag deposition rate influences the properties of the structures. • The MoO 3 /Ag/MoO 3 optimum structure has a factor of merit F M = 4.21 10 −3 (Ω/sq) −1 . • The MoO 3 /Ag/MoO 3 structures exhibit a high flexibility

  3. Site development

    International Nuclear Information System (INIS)

    Gaynor, R.K.

    1989-01-01

    Development of a low-level radioactive waste land disposal facility is little different than any industrial development of similar scope. Consideration must be made for normal business and operations management, security, facility maintenance, traffic control and necessary amenities for personnel. The item specific to the low-level waste site is the handling of radioactive waste materials and the regulatory and environmental protection procedures that must be planned for and accomodated in the site design and development. Each of these elements and the facility as a whole must be designed to be compatible with local land use plans, available transportation and support services, and the social and economic goals of the local community. Plans should also be made for quality control and orderly construction. This chapter deals with those aspects of the facility, its design and construction which are integral parts to the overall performance of the site

  4. Site Practice

    DEFF Research Database (Denmark)

    Wahedi, Haseebullah

    2016-01-01

    different practices in the construction phase. The research is based on an ethnographic study of a case in Denmark. The empirical data were collected through direct observations and semi-structured interviews with site managers, contract managers, foremen and craftsmen. Findings revealed...... that the construction phase comprises several communities and practices, leading to various uses of the drawings. The results indicated that the craftsmen used drawings to position themselves in the correct location, and that the site managers and contract managers used them as management tools and legal documents...

  5. Hydrothermal Synthesis of MoO2 and Supported MoO2 Cata-lysts for Oxidative Desulfurization of Dibenzothiophene

    Institute of Scientific and Technical Information of China (English)

    Wang Danhong; Zhang Jianyong; Liu Ni; Zhao Xin; Zhang Minghui

    2014-01-01

    A novel method for obtaining spherical MoO2 nanoparticles and SiO2-Al2O3 supported MoO2 by hydrothermal reduction of Mo (VI) species was studied. The obtained MoO2 catalysts show very high catalytic activity in the oxidative desulfurization (ODS) process. The effect of hydrothermal temperature and crystallization temperature on ODS activity was investigated. The ODS activity of supported MoO2 catalysts with various MoO2 contents were also investigated. The mecha-nism for formation of MoO2 involving oxalic acid was proposed.

  6. ¿Cómo salir del liberalismo?

    Directory of Open Access Journals (Sweden)

    Lenin Flórez

    2001-01-01

    Full Text Available Alain Touraine ¿Cómo salir del Liberalismo? Piadós, Bacelona, 1999, 123 páginas. El libro parece circunscribirse al actual contexto político de Francia, que el autor considera como una coyuntura de salida del liberalismo. Su tema central gira alrededor de entender la democracia en este periodo y un proyecto político de más largo alcance. Sin embargo, sabemos que tiene serias investigaciones sobre la realidad latinoamericana, lo que nos indica que su temática rebasa el mundo europeo. Sin duda, el texto que reseñamos tiene un carácter crítico y sus planteamientos suscitan la controversia teórica.

  7. The Mo/Ta (100) interface

    International Nuclear Information System (INIS)

    Quintanar, C.; Velasco, V.R.; Garcia-Moliner, F.

    1990-12-01

    We have calculated the interface local density of states (ILDOS) formed by the transition metals Mo/Ta using a tight-binding Slater-Koster description and the Green Function matching method together with quickly converging algorithms to compute the transfer matrices. We obtain the surface LDOS as a byproduct. Our result is a useful tool to analyze experimental results and to check models as a function of the value of the tight-binding parameters either of the bulk or at the interface itself. We consider the (100) direction. We compare the interface to the bulk and to the surface and comment on some recently found experimental results for this interface. (author). 17 refs, 2 figs

  8. Chemical sensitivity of Mo gate Mos capacitors

    Energy Technology Data Exchange (ETDEWEB)

    Lombardi, R.M.; Aragon, R. [Laboratorio de Peliculas delgadas, Facultad de Ingenieria, Paseo Colon 850, 1063, Buenos Aires (Argentina)

    2006-07-01

    Mo gate Mos capacitors exhibit a negative shift of their C-V characteristic by up to 240 mV, at 125 C, in response to 1000 ppm hydrogen, in controlled nitrogen atmospheres. The experimental methods for obtaining capacitance and conductance, as a function of polarisation voltage, as well as the relevant equivalent circuits are reviewed. The single-state interface state density, at the semiconductor-dielectric interface, decreases from 2.66 x 10{sup 11} cm{sup -2} e-v{sup -1}, in pure nitrogen, to 2.5 x 10{sup 11} cm{sup -2} e-v{sup -1} in 1000 ppm hydrogen in nitrogen mixtures, at this temperature. (Author)

  9. Plasmons on the edge of MoS2 nanostructures

    DEFF Research Database (Denmark)

    Andersen, Kirsten; Jacobsen, Karsten Wedel; Thygesen, Kristian Sommer

    2014-01-01

    Using ab initio calculations we predict the existence of one-dimensional (1D), atomically confined plasmons at the edges of a zigzag MoS2 nanoribbon. The strongest plasmon originates from a metallic edge state localized on the sulfur dimers decorating the Mo edge of the ribbon. A detailed analysis...... of the dielectric function reveals that the observed deviations from the ideal 1D plasmon behavior result from single-particle transitions between the metallic edge state and the valence and conduction bands of the MoS2 sheet. The Mo and S edges of the ribbon are clearly distinguishable in calculated spatially...... resolved electron energy loss spectrum owing to the different plasmonic properties of the two edges. The edge plasmons could potentially be utilized for tuning the photocatalytic activity of MoS2 nanoparticles....

  10. Phase transformation in a Ni-Mo-Cr alloy

    International Nuclear Information System (INIS)

    Dymek, S.; Wrobel, M.; Blicharski, M.; Dollar, M.

    2001-01-01

    The paper gives a characteristic of a nickel-based superalloy containing 25 wt.% Mo and 8 wt.% Cr with particular attention to the influence of a thermochemical and heat treatment on phase transformations. The applied heat treatments are comprised of soaking temperature 1100 o C followed by aging at 650 o C at three conditions: conventional aging for 72 hours, prolonged aging for 4000 hours and prolonged aging for 4000 hours followed by cold working and subsequent aging for 1000 hours. The conventional aging led to the formation of lenticular precipitates of the dispersed metastable Ni 2 (Mo,Cr) phase. The aging for 4000 hours brought about coarsening of the ordered domains without changing their crystallographic and ordering characteristics. The plastic deformation preceded the further aging for 1000 hours accelerated the decomposition of the Ni 2 (Mo,Cr) phase on the mixture of the Ni 3 Mo and Ni 4 Mo-based phases. (author)

  11. Fission induced swelling of U–Mo/Al dispersion fuel

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Yeon Soo, E-mail: yskim@anl.gov [Argonne National Laboratory, 9700 South Cass Avenue, Argonne, IL 60439 (United States); Jeong, G.Y. [Ulsan National Institute of Science and Technology, 50 UNIST-gil, Eonyang-eup, Uljoo-gun, Ulsan 689-798 (Korea, Republic of); Park, J.M. [Korea Atomic Energy Research Institute, 989-111 Daedeok-daero, Yuseong-gu, Daejeon 305-353 (Korea, Republic of); Robinson, A.B. [Idaho National Laboratory, P.O. Box 1625, Idaho Falls, ID 83415-6188 (United States)

    2015-10-15

    Fission-induced swelling of U–Mo/Al dispersion fuel meat was measured using microscopy images obtained from post-irradiation examination. The data of reduced-size plate-type test samples and rod-type test samples were employed for this work. A model to predict the meat swelling of U–Mo/Al dispersion fuel was developed. This model is composed of several submodels including a model for interaction layer (IL) growth between U–Mo and Al matrix, a model for IL thickness to IL volume conversion, a correlation for the fission-induced swelling of U–Mo alloy particles, a correlation for the fission-induced swelling of IL, and models of U–Mo and Al consumption by IL growth. The model was validated using full-size plate data that were not included in the model development.

  12. Signatures of Low-Mo Ancient Ocean May be Preserved in Cyanobacterial Genomes

    Science.gov (United States)

    Glass, J. B.; Wolfe-Simon, F. L.; Poret-Peterson, A. T.; Anbar, A. D.

    2010-04-01

    Before 800 million years ago, Mo was scarce in the ocean. We present evidence that primitive cyanobacteria store Mo using a protein called "Mop." Mop genes preserved in modern genomes may be signatures of the imprint of ancient Mo limitation.

  13. Rocking disc electro-deposition of copper films on Mo/MoSe{sub 2} substrates

    Energy Technology Data Exchange (ETDEWEB)

    Cummings, Charles Y.; Frith, Paul E. [Department of Chemistry, University of Bath, Claverton Down, Bath BA2 7AY (United Kingdom); Zoppi, Guillaume; Forbes, Ian [Northumbria Photovoltaics Applications Centre, Northumbria University, NE1 8ST (United Kingdom); Rogers, Keith D. [Cranfield Health, Cranfield University, Shrivenham Campus, Swindon, SN6 8LA (United Kingdom); Lane, David W. [Department of Applied Science, Security and Resilience, Cranfield University, Shrivenham, Swindon, SN6 8LA (United Kingdom); Marken, Frank, E-mail: F.Marken@bath.ac.uk [Department of Chemistry, University of Bath, Claverton Down, Bath BA2 7AY (United Kingdom)

    2011-08-31

    A novel electro-deposition method based on a rocking disc system with {pi}/3 amplitude and variable frequency is introduced. Uniform copper films were deposited from a 0.1 M CuSO{sub 4}/3.0 M NaOH/0.2 M sorbitol bath directly onto 12.1 cm{sup 2} Mo/MoSe{sub 2} substrates with X-ray diffraction showing a thickness variation of {+-}5% over this area. Investigation of the mass transport conditions suggests (i) uniform diffusion over the sample, (ii) a rate of mass transport proportional to the square root of the rocking rate, and (iii) turbulent conditions, which are able to dislodge gas bubbles during electro-deposition.

  14. Determination of Mo- and Ca-isotope ratios in Ca100MoO4 crystal for AMoRE-I experiment

    Science.gov (United States)

    Karki, S.; Aryal, P.; Kim, H. J.; Kim, Y. D.; Park, H. K.

    2018-01-01

    The first phase of the AMoRE (Advanced Mo-based Rare process Experiment) is to search for neutrinoless double-beta decay of 100Mo with calcium molybdate (Ca100MoO4) crystals enriched in 100Mo and depleted in 48Ca using a cryogenic technique at Yangyang underground laboratory in Korea. It is important to know 100Mo- and 48Ca-isotope ratios in Ca100MoO4 crystal to estimate half-life of 100Mo decays and to 2 νββ background from 48Ca. We employed the ICP-MS (Inductive Coupled Plasma Mass Spectrometer) to measure 100Mo- and 48Ca-isotope ratios in Ca100MoO4 crystal. The measured results for 100Mo- and 48Ca-isotope ratios in the crystal are (94 . 6 ± 2 . 8) % and (0 . 00211 ± 0 . 00006) %, respectively, where errors are included both statistical and systematic uncertainties.

  15. Intercalation of Si between MoS2 layers

    Directory of Open Access Journals (Sweden)

    Rik van Bremen

    2017-09-01

    Full Text Available We report a combined experimental and theoretical study of the growth of sub-monolayer amounts of silicon (Si on molybdenum disulfide (MoS2. At room temperature and low deposition rates we have found compelling evidence that the deposited Si atoms intercalate between the MoS2 layers. Our evidence relies on several experimental observations: (1 Upon the deposition of Si on pristine MoS2 the morphology of the surface transforms from a smooth surface to a hill-and-valley surface. The lattice constant of the hill-and-valley structure amounts to 3.16 Å, which is exactly the lattice constant of pristine MoS2. (2 The transitions from hills to valleys are not abrupt, as one would expect for epitaxial islands growing on-top of a substrate, but very gradual. (3 I(V scanning tunneling spectroscopy spectra recorded at the hills and valleys reveal no noteworthy differences. (4 Spatial maps of dI/dz reveal that the surface exhibits a uniform work function and a lattice constant of 3.16 Å. (5 X-ray photo-electron spectroscopy measurements reveal that sputtering of the MoS2/Si substrate does not lead to a decrease, but an increase of the relative Si signal. Based on these experimental observations we have to conclude that deposited Si atoms do not reside on the MoS2 surface, but rather intercalate between the MoS2 layers. Our conclusion that Si intercalates upon the deposition on MoS2 is at variance with the interpretation by Chiappe et al. (Adv. Mater. 2014, 26, 2096–2101 that silicon forms a highly strained epitaxial layer on MoS2. Finally, density functional theory calculations indicate that silicene clusters encapsulated by MoS2 are stable.

  16. Final report of MoReMO 2011-2012. Modelling resilience for maintenance and outage

    International Nuclear Information System (INIS)

    Gotcheva, N.; Macchi, L.; Oedewald, P.; Eitrheim, M.H.R.; Axelsson, C.; Reiman, T.; Pietikaeinen, E.

    2013-04-01

    The project Modelling Resilience for Maintenance and Outage (MoReMO) represents a two-year joint effort by VTT Technical Research Centre of Finland, Institute for Energy Technology (IFE, Norway) and Vattenfall (Sweden) to develop and test new approaches for safety management. The overall goal of the project was to present concepts on how resilience can be operationalized and built in a safety critical and socio-technical context. Furthermore, the project also aimed at providing guidance for other organizations that strive to develop and improve their safety performance in a business driven industry. We have applied four approaches in different case studies: Organisational Core Task modelling (OCT), Functional Resonance Analysis Method (FRAM), Efficiency Thoroughness Trade-Off (ETTO) analysis, and Work Practice and Culture Characterisation. During 2011 and 2012 the MoReMO project team has collected data through field observations, interviews, workshops, and document analysis on the work practices and adjustments in maintenance and outage in Nordic NPPs. The project consisted of two sub-studies, one focused on identifying and assessing adjustments and supporting resilient work practices in maintenance activities, while the other focused on handling performance trade-offs in maintenance and outage, as follows: A. Adjustments in maintenance work in Nordic nuclear power plants (VTT and Vattenfall). B. Handling performance trade-offs - the support of adaptive capacities (IFE and Vattenfall). The historical perspective of maintenance and outage management (Chapter 1.1) was provided by Vattenfall. Together, the two sub-studies have provided valuable insights for understanding the rationale behind work practices and adjustments, their effects on resilience, promoting flexibility and balancing between flexibility and reliability. (Author)

  17. Final report of MoReMO 2011-2012. Modelling resilience for maintenance and outage

    Energy Technology Data Exchange (ETDEWEB)

    Gotcheva, N.; Macchi, L.; Oedewald, P. [Technical Research Centre of Finland (VTT), Espoo (Finland); Eitrheim, M.H.R. [Institute for Energy Technology (IFE) (Norway); Axelsson, C.; Reiman, T.; Pietikaeinen, E. [Ringhals AB (NPP), Vattenfall AB (Sweden)

    2013-04-15

    The project Modelling Resilience for Maintenance and Outage (MoReMO) represents a two-year joint effort by VTT Technical Research Centre of Finland, Institute for Energy Technology (IFE, Norway) and Vattenfall (Sweden) to develop and test new approaches for safety management. The overall goal of the project was to present concepts on how resilience can be operationalized and built in a safety critical and socio-technical context. Furthermore, the project also aimed at providing guidance for other organizations that strive to develop and improve their safety performance in a business driven industry. We have applied four approaches in different case studies: Organisational Core Task modelling (OCT), Functional Resonance Analysis Method (FRAM), Efficiency Thoroughness Trade-Off (ETTO) analysis, and Work Practice and Culture Characterisation. During 2011 and 2012 the MoReMO project team has collected data through field observations, interviews, workshops, and document analysis on the work practices and adjustments in maintenance and outage in Nordic NPPs. The project consisted of two sub-studies, one focused on identifying and assessing adjustments and supporting resilient work practices in maintenance activities, while the other focused on handling performance trade-offs in maintenance and outage, as follows: A. Adjustments in maintenance work in Nordic nuclear power plants (VTT and Vattenfall). B. Handling performance trade-offs - the support of adaptive capacities (IFE and Vattenfall). The historical perspective of maintenance and outage management (Chapter 1.1) was provided by Vattenfall. Together, the two sub-studies have provided valuable insights for understanding the rationale behind work practices and adjustments, their effects on resilience, promoting flexibility and balancing between flexibility and reliability. (Author)

  18. Mo-V-Te-Nb oxides as catalysts for ethene production by oxidative dehydrogenation of ethane

    Energy Technology Data Exchange (ETDEWEB)

    Hartmann, D. [Technische Universitaet Muenchen, Garching (Germany). Dept. of Chemistry and Catalysis Research Center; Meiswinkel, A.; Thaller, C.; Bock, M.; Alvarado, L. [Linde AG, Pullach (Germany)

    2013-11-01

    The availability of ethane in shale gas, as well as the interest in valorising previously underutilized carbon feedstocks, makes the oxidative dehydrogenation (ODH) of ethane an attractive alternative to the industrially established processes for production of ethylene. Mo-V-Te-Nb mixed oxide has been chosen as catalyst for the ODH reaction in view of its outstanding ability to activate alkane molecules. Catalytic test results showed that this type of catalyst can selectively oxidize ethane to ethene at moderate temperatures (350-400 C) with minor production of CO{sub x}. The catalytic performance of Mo-V-Te-Nb mixed-oxide is mainly attributable to the crystalline phase 'M1'. Rietveld analysis of the X-Ray diffractograms allowed us to quantify the amount of MoVTeNb oxide that has crystallized as M1. In this way, it was possible to find a linear correlation of the reaction rate with the abundance of M1 in the solid. Therefore, it is clear that for improving the efficiency of MoVTeNb oxide in ODH, the amount of M1 in the catalyst should be maximized. With this purpose, several MoVTeNb oxides were subject to different thermal treatments prior to the catalytic test. Structural changes in the catalyst were monitored by in-situ XRD technique. Under oxidative atmosphere, it was observed a recrystallization of M2 and possibly, amorphous oxide, into M1 phase, leading to correspondingly more active and selective catalysts (selectivities above 95 % for ethane conversions up to 40 % under industrially relevant conditions). The active site of M1 involves V species, likely with redox properties enhanced by the proximity of Mo and Te species, while the function of the crystalline structure itself is to provide the spatial configuration that allows interaction between these species. However, ethene formation rate was observed to be independent of the V content of the samples. The vanadium species exposed at the surface were studied by LEIS and by IR spectroscopy of CO

  19. Site selection

    CERN Multimedia

    CERN PhotoLab

    1968-01-01

    To help resolve the problem of site selection for the proposed 300 GeV machine, the Council selected "three wise men" (left to right, J H Bannier of the Netherlands, A Chavanne of Switzerland and L K Boggild of Denmark).

  20. Site Restoration

    Energy Technology Data Exchange (ETDEWEB)

    Noynaert, L.; Bruggeman, A.; Cornelissen, R.; Massaut, V.; Rahier, A

    2001-04-01

    The objectives, the programme, and the achievements of the Site Restoration Department of SCK-CEN in 2000 are summarised. Main activities include the decommissioning of the BR3 PWR-reactor as well as other clean-up activities, projects on waste minimisation and activities related to the management of decommissioning projects. The department provides consultancy and services to external organisations.

  1. Site Restoration

    International Nuclear Information System (INIS)

    Noynaert, L.; Bruggeman, A.; Cornelissen, R.; Massaut, V.; Rahier, A.

    2001-01-01

    The objectives, the programme, and the achievements of the Site Restoration Department of SCK-CEN in 2000 are summarised. Main activities include the decommissioning of the BR3 PWR-reactor as well as other clean-up activities, projects on waste minimisation and activities related to the management of decommissioning projects. The department provides consultancy and services to external organisations

  2. Mapping Catalytically Relevant Edge Electronic States of MoS2

    Science.gov (United States)

    2018-01-01

    Molybdenum disulfide (MoS2) is a semiconducting transition metal dichalcogenide that is known to be a catalyst for both the hydrogen evolution reaction (HER) as well as for hydro-desulfurization (HDS) of sulfur-rich hydrocarbon fuels. Specifically, the edges of MoS2 nanostructures are known to be far more catalytically active as compared to unmodified basal planes. However, in the absence of the precise details of the geometric and electronic structure of the active catalytic sites, a rational means of modulating edge reactivity remain to be developed. Here we demonstrate using first-principles calculations, X-ray absorption spectroscopy, as well as scanning transmission X-ray microscopy (STXM) imaging that edge corrugations yield distinctive spectroscopic signatures corresponding to increased localization of hybrid Mo 4d states. Independent spectroscopic signatures of such edge states are identified at both the S L2,3 and S K-edges with distinctive spatial localization of such states observed in S L2,3-edge STXM imaging. The presence of such low-energy hybrid states at the edge of the conduction band is seen to correlate with substantially enhanced electrocatalytic activity in terms of a lower Tafel slope and higher exchange current density. These results elucidate the nature of the edge electronic structure and provide a clear framework for its rational manipulation to enhance catalytic activity. PMID:29721532

  3. Management of radioactive waste from 99Mo production by nuclear fission

    International Nuclear Information System (INIS)

    Rego, Maria Eugenia de Melo

    2013-01-01

    Brazil intends to build a facility for the 99 Mo production through 235 U fission, once this radioisotope is largely used in nuclear medicine. This study aimed at estimating the physical, chemical and radiological characteristics of radioactive waste expected to be generated in that facility, and to provide theoretical subsides that can be used on the definition of a proper waste management system. Two production scenarios were established and the radioisotope inventories of the wastes were calculated by Scale®. From the chemical processing of the uranium targets the wastes were characterized on their chemical and radiological features. MicroShield® was used to determine the activity concentrations up to three months of 99 Mo production. In addition, this work presents dose rate calculation for several sizes of shielding and different amount of wastes, collected in a proper package for in-site transportation. Radionuclides responsible for higher doses were identified in order to facilitate choosing the most appropriate method for managing the wastes after their chemical separation and before their storage. These results are part of what is expected on radioactive wastes at a 99 Mo production facility and might help on the development of the waste management planning for that facility. (author)

  4. Benchmark experiment for the cross section of the 100Mo(p,2n)99mTc and 100Mo(p,pn)99Mo reactions

    Science.gov (United States)

    Takács, S.; Ditrói, F.; Aikawa, M.; Haba, H.; Otuka, N.

    2016-05-01

    As nuclear medicine community has shown an increasing interest in accelerator produced 99mTc radionuclide, the possible alternative direct production routes for producing 99mTc were investigated intensively. One of these accelerator production routes is based on the 100Mo(p,2n)99mTc reaction. The cross section of this nuclear reaction was studied by several laboratories earlier but the available data-sets are not in good agreement. For large scale accelerator production of 99mTc based on the 100Mo(p,2n)99mTc reaction, a well-defined excitation function is required to optimise the production process effectively. One of our recent publications pointed out that most of the available experimental excitation functions for the 100Mo(p,2n)99mTc reaction have the same general shape while their amplitudes are different. To confirm the proper amplitude of the excitation function, results of three independent experiments were presented (Takács et al., 2015). In this work we present results of a thick target count rate measurement of the Eγ = 140.5 keV gamma-line from molybdenum irradiated by Ep = 17.9 MeV proton beam, as an integral benchmark experiment, to prove the cross section data reported for the 100Mo(p,2n)99mTc and 100Mo(p,pn)99Mo reactions in Takács et al. (2015).

  5. Carbon and Mo transformations during the synthesis of mesoporous Mo2C/carbon catalysts by carbothermal hydrogen reduction

    Science.gov (United States)

    Wang, Haiyan; Liu, Shida; Liu, Bing; Montes, Vicente; Hill, Josephine M.; Smith, Kevin J.

    2018-02-01

    The synthesis of mesoporous Mo2C/carbon catalysts by carbothermal hydrogen reduction is reported. Petroleum coke (petcoke) was activated with KOH at 800 °C to obtain high surface area microporous activated petcoke (APC; 2000 m2/g). The APC was wet impregnated with ammonium heptamolybdate (AHM: 10 wt% Mo), dried and reduced in H2 at temperatures from 400 to 800 °C, to yield Mo2C/APC catalysts. Increased reduction temperature increased the Mo2C yield and the mesoporous volume of the Mo2C/APC. At a reduction temperature of 750 °C the mesopore volume of the catalyst doubled compared to the APC support and accounted for 37% of the total pore volume. Maintaining the final CHR temperature for 90 min further increased the Mo2C yield and mesoporosity of the catalyst. The role of Mo2C in the catalytic hydrogenation of the APC and mesopore generation is demonstrated. The activity of the Mo2C/carbon catalysts in the hydrodeoxygenation of 4-methyl phenol increased with increased CHR temperature and catalyst mesoporosity.

  6. Theoretical prediction of high electron mobility in multilayer MoS2 heterostructured with MoSe2

    Science.gov (United States)

    Ji, Liping; Shi, Juan; Zhang, Z. Y.; Wang, Jun; Zhang, Jiachi; Tao, Chunlan; Cao, Haining

    2018-01-01

    Two-dimensional (2D) MoS2 has been considered to be one of the most promising semiconducting materials with the potential to be used in novel nanoelectronic devices. High carrier mobility in the semiconductor is necessary to guarantee a low power dissipation and a high switch speed of the corresponding electronic device. Strain engineering in 2D materials acts as an important approach to tailor and design their electronic and carrier transport properties. In this work, strain is introduced to MoS2 through perpendicularly building van der Waals heterostructures MoSe2-MoS2. Our first-principles calculations demonstrate that acoustic-phonon-limited electron mobility can be significantly enhanced in the heterostructures compared with that in pure multilayer MoS2. It is found that the effective electron mass and the deformation potential constant are relatively smaller in the heterostructures, which is responsible for the enhancement in the electron mobility. Overall, the electron mobility in the heterostructures is about 1.5 times or more of that in pure multilayer MoS2 with the same number of layers for the studied structures. These results indicate that MoSe2 is an excellent material to be heterostructured with multilayer MoS2 to improve the charge transport property.

  7. Coke formation during the hydrotreatment of bio-oil using NiMo and CoMo catalysts

    NARCIS (Netherlands)

    Kadarwati, Sri; Hu, Xun; Gunawan, Richard; Westerhof, Roel; Gholizadeh, Mortaza; Hasan, M. D.Mahmudul; Li, Chun-Zhu

    2017-01-01

    This study aims to investigate the coke formation during the hydrotreatment of bio-oil at low temperature. The catalytic hydrotreatment of bio-oil produced from the pyrolysis of mallee wood was carried out using pre-sulphided NiMo and CoMo catalysts at a temperature range of 150–300 °C. Our results

  8. Effect of Mo addition on the electrocatalytic activity of Pt-Sn-Mo/C for direct ethanol fuel cells

    International Nuclear Information System (INIS)

    Lee, Eungje; Murthy, Arun; Manthiram, Arumugam

    2011-01-01

    Carbon-supported Pt-Sn-Mo electrocatalysts have been synthesized by a polyol reduction method and characterized for ethanol electro-oxidation reaction (EOR). While the percent loading of the synthesized nanoparticles on the carbon support is higher than 35%, energy dispersive spectroscopy (EDS) reveals that the Mo contents in the nanoparticle catalysts are lower than the nominal value, indicating incomplete reduction of the Mo precursor. X-ray photoelectron spectroscopy (XPS) and X-ray diffraction (XRD) analyses reveal that the Sn and Mo exist as oxide phases at the surface layers of the nanoparticles and the degree of alloying is very low. The electrochemical properties of the electrocatalysts have been evaluated by cyclic voltammetry (CV) and chronoamperometry. The catalytic activity for EOR decreases in the order PtSnMo 0.6 /C > PtSnMo 0.4 /C > PtSn/C. Single cell direct ethanol fuel cell (DEFC) tests also confirm that the PtSnMo 0.6 /C anode catalyst exhibit better performance than the PtSn/C anode catalyst. An analysis of the electrochemical data suggests that the incorporation of Mo to Pt-Sn enhances further the catalytic activity for EOR.

  9. HRTEM and neutron diffraction study of LixMo5O17: From the ribbon (x=5) structure to the rock salt (x=12) structure

    International Nuclear Information System (INIS)

    Lebedev, O.I.; Caignaert, V.; Raveau, B.; Pop, N.; Gozzo, F.; Van Tendeloo, G.; Pralong, V.

    2011-01-01

    Structure determination of the fully intercalated phase Li 12 Mo 5 O 17 and of the deintercalated oxide Li 5 Mo 5 O 17 has been carried out by electron microscopy and neutron powder diffraction. The reversible topotactic transformation between the ordered rock salt structure of the former and the ribbon structure of the latter (closely related to that of Li 4 Mo 5 O 17 ) is explained on the following basis: both structures can be described as strips built up as an assembly of infinite ribbons of MoO 6 octahedra that are five octahedra thick, and that differ by slight displacements of the octahedral ribbons. We show that the electrochemical behavior of the Li x Mo 5 O 17 system is based on two sorts of Li + sites; those that are located within the strips between the ribbons, and those that are located at the border of the strips. The high rate of Li intercalation in this oxide and its reversibility are discussed in terms of its peculiar structure. -- Graphical abstract: Structure determination of the fully intercalated phase Li 12 Mo 5 O 17 and of the deintercalated oxide Li 5 Mo 5 O 17 has been carried out by electron microscopy and neutron powder diffraction. The reversible topotactic transformation between the ordered rock salt structure of the former and the ribbon structure of the latter is explained on the following basis: both structures can be described as strips built up as an assembly of infinite ribbons of MoO 6 octahedra that are five octahedra thick, and that differ by slight displacements of the octahedral ribbons. We show that the electrochemical behavior of the Li x Mo 5 O 17 system is based on two sorts of Li + sites; those that are located within the strips between the ribbons, and those that are located at the border of the strips. The high rate of Li intercalation in this oxide and its reversibility are discussed in terms of its peculiar structure. Research highlights: → Electron microscopy and neutron powder diffraction structure determination

  10. Synthesis of MoVTeNb Oxide Catalysts with Tunable Particle Dimensions

    DEFF Research Database (Denmark)

    Kolenko, Yury V.; Zhang, Wei; d'Alnoncourt, Raoul Naumann

    2011-01-01

    Reliable procedures for the controlled synthesis of phase-pure MoVTeNb mixed oxides with M1 structure (ICSD 55097) and tunable crystal dimensions were developed to study the structure sensitivity of the selective oxidation of propane to acrylic acid. A series of powdered M1 catalysts...... catalysts were studied in the selective oxidation of propane to acrylic acid, revealing that active sites appear on the entire M1 surface and illustrating the high sensitivity of catalyst performance on the catalyst synthesis method....

  11. Hydrazine-Assisted Liquid Exfoliation of MoS2 for Catalytic Hydrodeoxygenation of 4-Methylphenol.

    Science.gov (United States)

    Liu, Guoliang; Ma, Hualong; Teixeira, Ivo; Sun, Zhenyu; Xia, Qineng; Hong, Xinlin; Tsang, Shik Chi Edman

    2016-02-24

    A simple but effective method to exfoliate bulk MoS2 in a range of solvents is presented for the preparation of colloid flakes consisted of one to a few molecular layers by application of ultrasonic treatment in N2 H4 . Their high yield in solution and exposure of more active surface sites allows the synthesis of corresponding solid catalysts with remarkably high activity in hydrodeoxygenation of 4-methylphenol and this method can also be applied to other two dimensional materials. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  12. Studies of the effect of irradiation in a nuclear reactor, of targets containing Mo used for the preparation of 99Mo gel, material that constitutes the 99Mo - 99mTc generators

    International Nuclear Information System (INIS)

    Nieto, Renata Correa

    2004-01-01

    The most used radioisotope in Nuclear Medicine is 99m Tc, obtained in the 99 Mo - 99m Tc generator form. 99 Mo can be produced by several nuclear reactions in Cyclotron and Reactor. The production in Cyclotron is not technically and commercially feasible. The production in Nuclear Reactor can be made in two ways: 235 U fission and 99 Mo (n,γ) 99 Mo reaction. A project aiming the production of 99 Mo by activation of Mo is under way at IPEN, producing a gel type MoZr generator. There are two ways of preparing the gel and the generators: by irradiating MoO 3 and preparing the gel or by the preparation of the gel and further irradiation. This work consists in the study of the irradiation effects in several targets containing Mo for the production of 99 Mo by the 98 Mo (n,γ) 99 Mo reaction and further preparation of the gel for use as a gel type 99 Mo - 99m Tc generator. Three rinds of gel were studied: zirconium, titanium and cerium molybdate, and their morphology, infrared structure and elution yield of 99m Tc were analysed. The best results were achieved with the generators prepared with MoZr post formed gel, with amorphous structure and better elution yields. The pre formed gel induced crystallinity and worst performance of the generators. (author)

  13. Structural, electronic and adsorption properties of Rh(111)/Mo(110) bimetallic catalyst: A DFT study

    Energy Technology Data Exchange (ETDEWEB)

    Palotás, K., E-mail: palotas@phy.bme.hu [Budapest University of Technology and Economics, Department of Theoretical Physics, H-1111 Budapest (Hungary); Slovak Academy of Sciences, Institute of Physics, Department of Complex Physical Systems, Center for Computational Materials Science, SK-84511 Bratislava (Slovakia); Bakó, I. [Hungarian Academy of Sciences, Research Center for Natural Sciences, Institute of Organic Chemistry, H-1117 Budapest (Hungary); Bugyi, L. [MTA-SZTE, Reaction Kinetics and Surface Chemistry Research Group, Rerrich B. Sqr. 1, H-6720 Szeged (Hungary)

    2016-12-15

    Highlights: • 1 ML of Rh on Mo(110) forms a wavy structure propagating along the [001] direction. • Strain & ligand effects in the Rh film cause a downward shift of the d-band center. • CO adsorption energies are decreased by about 35% compared to pure Rh(111). • Depending on adsorption site, 0.28–0.46 e is transferred to adsorbed CO from Rh film. • CO adsorption generates 0.15–0.22 e transfer from Rh film to Mo in the unit cell. - Abstract: Geometric and electronic characterizations of one monolayer rhodium with Nishiyama-Wassermann (NW) structure on Mo(110) substrate have been performed by density functional theory (DFT) calculations. In the NW structure the Rh atoms form a wavy structure propagating along the [001] direction, characterized by an amplitude of 0.26 Å in the [110] direction and by 0.10 Å in the [110] direction of the Mo(110) substrate. Strain and ligand effects operating in the rhodium film are distinguished and found to be manifested in the downward shift of the d-band center of the electron density of states (DOS) by 0.11 eV and 0.18 eV, respectively. The shift in the d-band center of Rh DOS predicts a decrease in the surface reactivity toward CO adsorption, which has been verified by detailed calculations of bond energies of CO located at on-top, bridge and hollow adsorption sites. The CO adsorption energies are decreased by about 35% compared to those reported for pure Rh(111), offering novel catalytic pathways for the molecule. An in-depth analysis of the charge transfer and the partial DOS characters upon CO adsorption on the NW-structured Rh(111)/Mo(110) bimetallic catalyst and on the pure Rh(111) surface sheds light on the bonding mechanism of CO and on the governing factors determining its lowered bond energy on the bimetallic surface.

  14. Safety assessment of U–Mo fuel mini plates irradiated in HANARO reactor

    International Nuclear Information System (INIS)

    Jo, Daeseong; Kim, Haksung

    2015-01-01

    Highlights: • Neutronic and thermal-hydraulic analyses of U–Mo fuel irradiated in HANARO reactor. • A mock-up irradiation target was designed and tested to measure the flow rate. • During normal operation, boiling does not occur. • During limiting accidents, boiling occurs. However, fuel integrity is maintained. - Abstract: Neutronic and thermal hydraulic characteristics of U–Mo fuel mini plates irradiated in the HANARO reactor were analyzed for the safety assessment of these plates. A total of eight fuel plates were double-stacked; each stack contained three 8.0 gU/cc U–7Mo fuel plates and one 6.5 gU/cc U–7Mo fuel plate. The neutronic and thermal hydraulic analyses were carried out using the MCNP code and TMAP code, respectively. The core status used in the study was the equilibrium core, and four Control Absorber Rod (CAR) locations were considered: 350 mm, 450 mm, 550 mm, and 650 mm away from the bottom of the core. For the fuels in the lower stack, the maximum heat flux was found at the CAR located at 450 mm. For the fuels in the upper stack, the maximum heat flux was found at the CAR located at 650 mm. The axial power distributions for the upper and lower stacks were selected on the basis of thermal margin analyses. A mock-up irradiation target assembly was designed and tested at the out-of-pile test facility to measure the flow rate through the irradiation site, given that the maximum flow rate through the irradiation site at the HANARO reactor is limited to 12.7 kg/s. For conservative analyses, measurement and correlation uncertainties and engineering hot channel factors were considered. During normal operation, the minimum ONB temperature margins for the lower and upper stacks are 41.6 °C and 31.8 °C, respectively. This means that boiling does not occur. However, boiling occurs during the limiting accidents. Nevertheless, the fuel integrity is maintained since the minimum DNBR are 1.96 for the Reactivity Insertion Accident (RIA) and 2

  15. Geochronology of the Thompson Creek Mo Deposit: Evidence for the Formation of Arc-related Mo Deposits

    Science.gov (United States)

    Lawrence, C. D.; Coleman, D. S.; Stein, H. J.

    2016-12-01

    The Thompson Creek Mo deposit in central ID, has been categorized as an arc-related Mo deposit due to the location, grade of Mo, and relative lack of enrichments in F, Rb, and Nb, compared to the Climax-type Mo deposits. Geochronology from this arc-related deposit provides an opportunity to compare and contrast magmatism, and mineralization to that in Climax-type deposits. Distinct pulses of magmatism were required to form the Thompson Creek Mo deposit, which is consistent with recent geochronology from Climax-type deposits. Molybdenite Re-Os geochronology from five veins requires at least three pulses of magmatism and mineralization between 89.39 +/- 0.37 and 88.47 +/- 0.16 Ma. Zircon U-Pb ages from these mineralized samples overlap with molybdenite mineralization, but show a much wider range (91.01 +/- 0.37 to 87.27 +/- 0.69). Previous work from Climax-type Mo deposits suggest a correlation between a super eruption, and the subsequent rapid (<1 Ma) onset, and completion of Mo mineralizing intrusions. The longer life (3-4 Ma) for the Thompson Creek Mo deposit suggests that the mineralizing intrusions for arc-related Mo deposits may not need to have as high [Mo] as the Climax-type deposits. This study also finds a shift in the source of magmatism from the pre- to syn-mineralizing intrusions. Zircons from pre-mineralizing intrusions have much higher (15-60 pg) concentrations of radiogenic Pb than zircons from mineralized intrusions, which all have less than 15 pg, though whole rock [U] are similar.

  16. Using molybdenum depleted in 95Mo in UMo fuel

    International Nuclear Information System (INIS)

    Bakker, K.; Wijtsma, F.; Bos, A.; Mol, C.; Rakhorst, H.; Bretscher, M.; Hofman, G.; Snelgrove, J.

    2002-01-01

    In recent years significant interest was gained in UMo fuel to be used in Material Test Reactors. This interest was induced by the fact that UMo fuel is mechanically stable, even at high uranium concentrations and high U-burnup. These properties are required in order to use Low Enriched Uranium (LEU) and still be able to achieve high flux and burnup values and, thus, to facilitate the conversion from High Enriched Uranium (HEU) to LEU. Neutronics computations have shown that, although the Mo concentration in UMo fuel is not very high (about 5 - 10w%), the neutron absorption cross sections of natural Mo are sufficiently high to have a considerable negative impact on the reactivity of this UMo fuel. In the present research the neutron absorption cross sections of natural Mo are discussed and the option to reduce the cross section of molybdenum by depleting the Mo in 95 Mo is described. Finally the economic consequences of using Mo depleted in 95 Mo are briefly discussed

  17. Homogenization of compacted blends of Ni and Mo powders

    International Nuclear Information System (INIS)

    Lanam, R.D.; Yeh, F.C.H.; Rovsek, J.E.; Smith, D.W.; Heckel, R.W.

    1975-01-01

    The homogenization behavior of compacted blends of Ni and Mo powders was studied primarily as a function of temperature, mean compact composition, and Mo powder particle size. All compact compositions were in the Ni-rich terminal solid-solution range; temperatures were between 950 and 1200 0 C (in the region of the phase diagram where only the Mo--Ni intermediate phase forms); average Mo particle sizes ranged from 8.4 mu m to 48 mu m. Homogenization was characterized in terms of the rate of decrease of the amounts of the Mo-rich terminal solid-solution phase and the Mo--Ni intermediate phase. The experimental results were compared to predictions based upon the three-phase, concentric-sphere homogenization model. In general, agreement between experimental data and model predictions was fairly good for high-temperature treatments and for compact compositions which were not close to the solubility limit of Mo in Ni. Departures from the model are discussed in terms of surface diffusion contributions to homogenization and non-uniform mixing effects. (U.S.)

  18. Synergetic effect of MoS2 and graphene as cocatalysts for enhanced photocatalytic activity of BiPO4 nanoparticles

    Science.gov (United States)

    Lv, Hua; Liu, Yumin; Tang, Haibo; Zhang, Peng; Wang, Jianji

    2017-12-01

    The photodegradation of organic pollutants is an attractive green chemistry technology for water pollution control. Here we prepared a new composite material consisting of BiPO4 nanocrystals grown on layered graphene and MoS2 as a high-performance photocatalyst for the photodegradation of organic pollutants. This composite material was synthesized by a facile one-pot microwave-assisted hydrothermal technique in the presence of layered graphene and MoS2. Through optimizing the loading content of each component, the BiPO4-MoS2/graphene nanocomposite exhibited the highest photocatalytic activity for the degradation of Rhodamine (RhB) when the content of MoS2 and graphene was 2 wt% and 7 wt%, respectively. The enhanced photocatalytic activity of the new composite photocatalyst was attributed to the positive synergetic effect of the layered graphene and MoS2 as cocatalyst, which acted as electron collector and transporter for the interfacial electron transfer from BiPO4 to electron acceptor in the aqueous solution and thus suppressed the charge recombination and made the photogenerated holes more available to participated in the oxidation process. Moreover, the presence of layered MoS2/graphene hybrid could offer more reactive sites and activated the O2 molecular in water to form superoxide radical, thereby resulting in the enhanced photocatalytic activity.

  19. Structural chemistry of the cation-ordered perovskites Sr2CaMo1-xTexO6 (0=

    International Nuclear Information System (INIS)

    Prior, Timothy J.; Couper, Victoria J.; Battle, Peter D.

    2005-01-01

    The crystal structures of Sr 2 CaMoO 6 and Sr 2 CaTeO 6 have been determined at room temperature by neutron powder diffraction. Both compounds crystallize in the perovskite structure with a rock-salt ordered array of Ca 2+ and M 6+ cations (M=Mo, Te) on the six-coordinate sites (space group P2 1 /n (no. 14); for M=Mo, a=5.76228(7), b=5.84790(7), c=8.18707(9)A, β=90.194(1) o , for M=Te, a=5.79919(9), b=5.83756(8), c=8.2175(1)A, β=90.194(1) o ). Compositions in the solid solution Sr 2 CaMo 1-x Te x O 6 have been synthesized and shown by X-ray diffraction to adopt the same ordered structure. The results are used in a discussion of the cation oxidation states in Ca 2 FeMoO 6 and to establish the similarity between the structural chemistry of hexavalent Mo and Te

  20. Dual-Native Vacancy Activated Basal Plane and Conductivity of MoSe2 with High-Efficiency Hydrogen Evolution Reaction.

    Science.gov (United States)

    Gao, Daqiang; Xia, Baorui; Wang, Yanyan; Xiao, Wen; Xi, Pinxian; Xue, Desheng; Ding, Jun

    2018-04-01

    Although transition metal dichalcogenide MoSe 2 is recognized as one of the low-cost and efficient electrocatalysts for the hydrogen evolution reaction (HER), its thermodynamically stable basal plane and semiconducting property still hamper the electrocatalytic activity. Here, it is demonstrated that the basal plane and edges of 2H-MoSe 2 toward HER can be activated by introducing dual-native vacancy. The first-principle calculations indicate that both the Se and Mo vacancies together activate the electrocatalytic sites in the basal plane and edges of MoSe 2 with the optimal hydrogen adsorption free energy (ΔG H* ) of 0 eV. Experimentally, 2D MoSe 2 nanosheet arrays with a large amount of dual-native vacancies are fabricated as a catalytic working electrode, which possesses an overpotential of 126 mV at a current density of 100 mV cm -2 , a Tafel slope of 38 mV dec -1 , and an excellent long-term durability. The findings pave a rational pathway to trigger the activity of inert MoSe 2 toward HER and also can be extended to other layered dichalcogenide. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  1. Phase relations and crystal structures in the systems (Bi,Ln)2WO6 and (Bi,Ln)2MoO6 (Ln=lanthanide)

    International Nuclear Information System (INIS)

    Berdonosov, Peter S.; Charkin, Dmitri O.; Knight, Kevin S.; Johnston, Karen E.; Goff, Richard J.; Dolgikh, Valeriy A.; Lightfoot, Philip

    2006-01-01

    Several outstanding aspects of phase behaviour in the systems (Bi,Ln) 2 WO 6 and (Bi,Ln) 2 MoO 6 (Ln=lanthanide) have been clarified. Detailed crystal structures, from Rietveld refinement of powder neutron diffraction data, are provided for Bi 1.8 La 0.2 WO 6 (L-Bi 2 WO 6 type) and BiLaWO 6 , BiNdWO 6 , Bi 0.7 Yb 1.3 WO 6 and Bi 0.7 Yb 1.3 WO 6 (all H-Bi 2 WO 6 type). Phase evolution within the solid solution Bi 2- x La x MoO 6 has been re-examined, and a crossover from γ(H)-Bi 2 MoO 6 type to γ-R 2 MoO 6 type is observed at x∼1.2. A preliminary X-ray Rietveld refinement of the line phase BiNdMoO 6 has confirmed the α-R 2 MoO 6 type structure, with a possible partial ordering of Bi/Nd over the three crystallographically distinct R sites. - Graphical abstract: A summary of phase relations in the lanthanide-doped bismuth tungstate and bismuth molybdate systems is presented, together with some additional structural data on several of these phases

  2. Enhanced hydrogen evolution performance of ultra thin nanoslice/nanopetal structured XS{sub 2} (X = W, Mo): From experiment to theory

    Energy Technology Data Exchange (ETDEWEB)

    Li, Honglin; Tang, Zheng; Zhu, Ziqiang [Key Laboratory of Polar Materials and Devices (Ministry of Education of China), Department of Electronic Engineering, East China Normal University, Shanghai 200241 (China); Yu, Ke, E-mail: yk5188@263.net [Key Laboratory of Polar Materials and Devices (Ministry of Education of China), Department of Electronic Engineering, East China Normal University, Shanghai 200241 (China); Collaborative Innovation Center of Extreme Optics, Shanxi University, Taiyuan, Shanxi 030006 (China)

    2016-07-14

    The production of H{sub 2} through water splitting to make the reaction process economical and friendly has attracted a lot attention. In this work, we synthesized the novel well-defined nanostructured WS{sub 2}/MoS{sub 2} composite for using as the electrocatalyst of hydrogen evolution. The final obtained nanoslice/nanopetal nanostructured WS{sub 2}/MoS{sub 2} composite possessed massive active sites that originated from its well-defined hierarchical structure with densely stacked MoS{sub 2} nanopetals. The synthesized composite exhibited significantly enhanced hydrogen evolution reaction (HER) activity and clearly superior to the pristine MoS{sub 2}/WS{sub 2}. With the purpose to give a theoretical explanation of the corresponding enhancement mechanism, the first-principles investigation based on the density functional theory was further employed to survey the electronic properties of different structures. Charge density difference and Bader charge analyses revealed that electrons could directional transfer from WS{sub 2} to MoS{sub 2} and provided an “electron-rich” environment, which was beneficial to the improvement of HER efficiency. These analytical methods will necessarily offer new angles to explain the enhancement mechanism of HER processes regarding the interaction between WS{sub 2} and MoS{sub 2}, which can accurately elucidate the reason why composite structure exhibits a better HER performance based on the experimental results.

  3. One-Step Preparation of Large Area Films of Oriented MoS2 Nanoparticles on Multilayer Graphene and Its Electrocatalytic Activity for Hydrogen Evolution

    Directory of Open Access Journals (Sweden)

    Jinbao He

    2018-01-01

    Full Text Available MoS2 is a promising material to replace Pt-based catalysts for the hydrogen evolution reaction (HER, due to its excellent stability and high activity. In this work, MoS2 nanoparticles supported on graphitic carbon (about 20 nm with a preferential 002 facet orientation have been prepared by pyrolysis of alginic acid films on quartz containing adsorbed (NH42MoS4 at 900 °C under Ar atmosphere. Although some variation of the electrocatalytic activity has been observed from batch to batch, the MoS2 sample exhibited activity for HER (a potential onset between 0.2 and 0.3 V vs. SCE, depending on the concentrations of (NH42MoS4 precursor used in the preparation process. The loading and particle size of MoS2, which correlate with the amount of exposed active sites in the sample, are the main factors influencing the electrocatalytic activity.

  4. Enhanced magnetoresistance and Griffiths phase induced by Mo substitution in La0.7Ca0.15Sr0.15Mn1-xMoxO3 (0 ≤ x ≤ 0.05)

    International Nuclear Information System (INIS)

    Narsinga Rao, G; Chen, J W; Neeleshwar, S; Chen, Y Y; Wu, M K

    2009-01-01

    Structural, magnetic and electrical properties of the La 0.7 Ca 0.15 Sr 0.15 Mn 1-x Mo x O 3 (0 ≤ x ≤ 0.05) compounds have been investigated. Powder x-ray analysis reveals that the sample with x = 0 crystallizes in the rhombohedral (R 3-bar c) structure, whereas in the Mo doped samples the structure can be indexed by an orthorhombic (Pbnm) structure. The important observations of the magnetic and transport properties are: (i) the Mo substitution induces a distinct suppression of the metal-insulator (T MI ) and ferromagnetic (FM)-paramagnetic transition (T C ) and the temperature of T MI was found to be higher than T C in the Mo-doped samples, (ii) the substitution of Mo enhances the magnetoresistance at room temperature, (iii) a large deviation from the Curie-Weiss law well above T C in the Mo substituted samples indicates the existence of a Griffiths phase and (iv) long-range FM order persists in all samples with a linear decrease of saturation moment as x increases. These results are discussed in terms of the Mn-site disorder and opening of strong FM coupling between Mn 2+ -O-Mn 3+ , due to the Mn 2+ ions induced by Mo 6+ at the expense of Mn 4+ ions in the La 0.7 Ca 0.15 Sr 0.15 Mn 1-x Mo x O 3 system.

  5. Molybdenum x-ray absorption studies of the mutant Kp nifV of nitrogenase MO-FE protein

    International Nuclear Information System (INIS)

    Eidsness, M.K.; Smith, B.E.; Flood, A.C.; Garner, C.D.; Cramer, S.P.

    1985-01-01

    The nifV mutant nitrogenase enzyme of Klebsiella pheumoniae exhibits altered substrate reducing activity. This nitrogenase mutant cannot fix N 2 in vivo but can reduce C 2 H 2 to C 2 H 4 . The nifV mutant enzyme differs further from the wild-type enzyme by CO inhibition of its H 2 evolution activity, up to 80%. The NifV - phenotype (NifV - Kp1) has been shown to be associated with the iron-molybdenum cofactor (FeMoco) in the Mo Fe protein which is generally accepted as the site for substrate reduction. An X-Ray absorption study of the Mo site in this mutant may reveal a difference in its FeMoco structure. The authors report here a comparison of Mo X-Ray absorption data from the nitrogenase enzymes of the wild-type and NifV - strains in three different forms: (1) as isolated, (2) dye-oxidized, and (3) fixing enzyme systems. Mo edge structure of NifV - Kp1 and wild-type enzymes are nearly identical. Small shifts to higher energies are observed in the oxidized and fixing states. Mo EXAFS of NifV - Kp1 and wild-type in the ''as isolated'' state appear indistinguishable. Curve fitting results best describe the molybdenum in FeMoco as bound by 4-5 S atoms at 2.36 A ,3 Fe atoms at 2.69 A, and 0-2 O(N) atoms at 2.19 A. The spectral similarity of these results concerning the nifV mutant FeMoco structure is discussed

  6. Study of methodologies for quality control of 99Mo used in 99Mo/99mTc generators

    International Nuclear Information System (INIS)

    Said, Daphne de Souza

    2016-01-01

    99m Tc is the most used radionuclide in nuclear medicine. In Brazil, the 99 Mo/ 99m Tc generators are exclusively produced by Radiopharmacy Center at IPEN-CNEN/ SP, by importing 99 Mo from different suppliers. 99 Mo (t 1/2 = 66 h) is a fission product of 235 U and it can have radionuclidic impurities that are prejudicial for human health. For safe use of generators, it is necessary to perform the evaluation of 99 Mo by quality control tests in order to assess if 99 Mo complies with the specifications. The European Pharmacopoeia (EP) presents a monograph for evaluation of the quality of the [ 99 Mo] solution as sodium molybdate,that is used as raw material for 99 Mo/ 99m Tc generators production, including specification parameters (identification, radiochemical purity and radionuclidic purity), analysis methods and limits. However, it has been observed difficulties on the execution and implementation of these methods by the generators producers, with a few literature about this subject, probably due to complexity of the proposed methods. In this work, many quality control parameters of 99 Mo described in the EP monograph were evaluated. Separation methods for 99M o from its radionuclidic impurities by solid phase extraction (SPE) and TLC were studied. After SPE separation, the quantification of metals by ICP-OES to evaluate the percentage of retention of Mo and the percentage of recovery of Ru, Te and Sr using different types of cartridges were proposed, replacing radiotracers use. It was observed that the specific type of SPE cartridge recommended by the EP for separation of 99 Mo presented low recoveries for Ru, compared to other available anion exchange SPE cartridges. 99 Mo samples from different worldwide suppliers were analyzed. It was observed that quantification of 103 Ru in 99 Mo samples with decay time higher than 4 weeks is possible. An alternative method for separation of 131 I from 99 Mo showed promising results by TLC. The quantification of beta and

  7. Development of production of {sup 99}Mo from LEU target

    Energy Technology Data Exchange (ETDEWEB)

    Adang, H G; Mutalib, A; Lubis, H [Radioisotope Production Centre, National Atomic Energy Agency, Kawasan Puspiptek, Serpong (Indonesia); and others

    1998-10-01

    {sup 99}TC, the most popular radioisotope in nuclear medicine, is daughter of {sup 99}Mo. {sup 99}Mo is produced in research reactor by irradiating of high enriched uranium (HEU). However, in recent year, strict regulation that has been implemented by USA DOE and NPT has led to the difficulty in getting HEU. Therefore, BATAN has tried to develop the production of {sup 99}Mo by using low enriched uranium (LEU). The research involves the use of LEU in the production of {sup 99}Mo. This research was started in 1994 by joint-research between BATAN and Argonne National Laboratory USA. This program is divided into three research groups. The first group emphasizes its research on fabrication of LEU foil that is going to be irradiated. The second group studies the irradiation`s aspects and physical characteristic of irradiated LEU foils. The third group studies the radiochemical separation process of fission product {sup 99}Mo from solution of irradiated LEU foils. There are five steps that are carried out in studying of radiochemical separation of {sup 99}Mo from irradiated LEU. First is designing a dissolver that is going to be used in dissolving of LEU foil and testing its reliability. Second is dissolving LEU in the new design dissolver. Third is evaluation the modified of Cintichem`s radiochemical separation process of {sup 99}Mo from LEU. Forth is modifying the Cintichem`s radiochemical separation process of {sup 99}Mo from the solution of irradiated LEU. And fifth is using the modified of Cintichem`s radiochemical separation process for separation {sup 99}Mo from solution of irradiated LEU. The first through the forth steps of experiments were already carried out and will be reported in this workshop, whereas the fifth step of experiment is going to be conducted in February 1998. (author)

  8. Excitation functions of the 98Mo+d reactions

    International Nuclear Information System (INIS)

    Zarubin, P.P.; Padalko, V.Yu.; Khrisanfov, Yu.V.; Lebedev, P.P.; Podkopaev, Yu.N.

    The excitation functions of the 98 Mo+d reactions were studied. The energy dependence of (d,p),(d,n) and (d,α) reactions was investigated by the activation analysis. The energies of deuterons in the range (6-12) MeV were determined by means of the aluminium filters. 98 Mo foils with surface densities of 1.02, 0.23 and 0.14 mgxcm -2 with 98 Mo enrichment of 94.1% were used as targets. The gamma spectra were measured by a Ge(Li) detector. The 98 Mo(d,p) 99 Mo reaction excitation function was determined via detection of 739 and 181 keV γ-radiation of 99 Mo (Tsub(1/2)=66.47h); 140 keV γ-radiation of 99 Tc (Tsub(1/2)=6h) was detected for the 98 Mo(d,n) 99 Tc reaction excitation function determination and 460, 568, 1091, 1200 and 1492 keV γ-quanta of 96 Nb (Tsub(1/2)=23.35h) - for the 98 Mo(d,α) 96 Nb reaction. In the excitation function the wide extremum was observed at Esub(d) approximately 10 MeV. The ratio of cross sections σsup(m)(d,n)/σ(d,p) on the 98 Mo target was determined. The ratio σsup(m)(d,n)/σ(d,p) was found to be decreasing function of the deuteron energy. The relative cross sections were determined with an accuracy of +-5%, while for the absolute values of cross sections the accuracy was +-15%

  9. Elasticity, electronic properties and hardness of MoC investigated by first principles calculations

    International Nuclear Information System (INIS)

    Liu, YangZhen; Jiang, YeHua; Feng, Jing; Zhou, Rong

    2013-01-01

    The crystal structure, cohesive energy, formation enthalpy, mechanical anisotropy, electronic properties and hardness of α−MoC, β−MoC and γ−MoC are investigated by the first-principles calculations. The elastic constants and the bulk moduli, shear moduli, Young's moduli are calculated. The Young's modulus values of α−MoC, β−MoC and γ−MoC are 395.6 GPa, 551.2 GPa and 399.5 GPa, respectively. The surface constructions of Young's moduli identify the mechanical anisotropy of molybdenum carbide, and the results show that anisotropy of α−MoC is stronger than others. The electronic structure indicates that the bonding behaviors of MoC are the combinations of covalent and metallic bonds. The hardness of β−MoC is obviously higher than those of α−MoC and γ−MoC

  10. Detecting the Extent of Eutectoid Transformation in U-10Mo

    Energy Technology Data Exchange (ETDEWEB)

    Devaraj, Arun [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Jana, Saumyadeep [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); McInnis, Colleen A. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Lombardo, Nicholas J. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Joshi, Vineet V. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Sweet, Lucas E. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Manandhar, Sandeep [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Lavender, Curt A. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States)

    2016-08-31

    During eutectoid transformation of U-10Mo alloy, uniform metastable γ UMo phase is expected to transform to a mixture of α-U and γ’-U2Mo phase. The presence of transformation products in final U-10Mo fuel, especially the α phase is considered detrimental for fuel irradiation performance, so it is critical to accurately evaluate the extent of transformation in the final U-10Mo alloy. This phase transformation can cause a volume change that induces a density change in final alloy. To understand this density and volume change, we developed a theoretical model to calculate the volume expansion and resultant density change of U-10Mo alloy as a function of the extent of eutectoid transformation. Based on the theoretically calculated density change for 0 to 100% transformation, we conclude that an experimental density measurement system will be challenging to employ to reliably detect and quantify the extent of transformation. Subsequently, to assess the ability of various methods to detect the transformation in U-10Mo, we annealed U-10Mo alloy samples at 500°C for various times to achieve in low, medium, and high extent of transformation. After the heat treatment at 500°C, the samples were metallographically polished and subjected to optical microscopy and x-ray diffraction (XRD) methods. Based on our assessment, optical microscopy and image processing can be used to determine the transformed area fraction, which can then be correlated with the α phase volume fraction measured by XRD analysis. XRD analysis of U-10Mo aged at 500°C detected only α phase and no γ’ was detected. To further validate the XRD results, atom probe tomography (APT) was used to understand the composition of transformed regions in U-10Mo alloys aged at 500°C for 10 hours. Based on the APT results, the lamellar transformation product was found to comprise α phase with close to 0 at% Mo and γ phase with 28–32 at% Mo, and the Mo concentration was highest at the

  11. The crisis of 99Mo. Current trends and challenges

    International Nuclear Information System (INIS)

    Leyva, René; Duatti, Adriano

    2016-01-01

    In recent years they have exacerbated the problems with the availability of 99 Mo in the international market for the production of radio isotopic generators 99 Mo / 99 mTc. The main situation is given by the shutdown, maintenance or damage to the nuclear reactors of the reductor plants. The search for solutions, analysis of alternatives and development of new methods for the 99 Mo, the well-known workhorse of nuclear medicine, are addressed in this paper. Are interesting new routes using cyclotrons. Also shown are the steps taken internationally to alleviate the growing demand against a limited supply in production. (author)

  12. Detecting the Extent of Eutectoid Transformation in U-10Mo

    International Nuclear Information System (INIS)

    Devaraj, Arun; Jana, Saumyadeep; McInnis, Colleen A.; Lombardo, Nicholas J.; Joshi, Vineet V.; Sweet, Lucas E.; Manandhar, Sandeep; Lavender, Curt A.

    2016-01-01

    During eutectoid transformation of U-10Mo alloy, uniform metastable ? UMo phase is expected to transform to a mixture of ?-U and ?'-U_2Mo phase. The presence of transformation products in final U-10Mo fuel, especially the ? phase is considered detrimental for fuel irradiation performance, so it is critical to accurately evaluate the extent of transformation in the final U-10Mo alloy. This phase transformation can cause a volume change that induces a density change in final alloy. To understand this density and volume change, we developed a theoretical model to calculate the volume expansion and resultant density change of U-10Mo alloy as a function of the extent of eutectoid transformation. Based on the theoretically calculated density change for 0 to 100% transformation, we conclude that an experimental density measurement system will be challenging to employ to reliably detect and quantify the extent of transformation. Subsequently, to assess the ability of various methods to detect the transformation in U-10Mo, we annealed U-10Mo alloy samples at 500°C for various times to achieve in low, medium, and high extent of transformation. After the heat treatment at 500°C, the samples were metallographically polished and subjected to optical microscopy and x-ray diffraction (XRD) methods. Based on our assessment, optical microscopy and image processing can be used to determine the transformed area fraction, which can then be correlated with the ? phase volume fraction measured by XRD analysis. XRD analysis of U-10Mo aged at 500°C detected only ? phase and no ?' was detected. To further validate the XRD results, atom probe tomography (APT) was used to understand the composition of transformed regions in U-10Mo alloys aged at 500°C for 10 hours. Based on the APT results, the lamellar transformation product was found to comprise ? phase with close to 0 at% Mo and ? phase with 28-32 at% Mo, and the Mo concentration was highest at the ?/? interface.

  13. U-Mo/Al-Si interaction: Influence of Si concentration

    International Nuclear Information System (INIS)

    Allenou, J.; Palancher, H.; Iltis, X.; Cornen, M.; Tougait, O.; Tucoulou, R.; Welcomme, E.; Martin, Ph.; Valot, C.; Charollais, F.; Anselmet, M.C.; Lemoine, P.

    2010-01-01

    Within the framework of the development of low enriched nuclear fuels for research reactors, U-Mo/Al is the most promising option that has however to be optimised. Indeed at the U-Mo/Al interfaces between U-Mo particles and the Al matrix, an interaction layer grows under irradiation inducing an unacceptable fuel swelling. Adding silicon in limited content into the Al matrix has clearly improved the in-pile fuel behaviour. This breakthrough is attributed to an U-Mo/Al-Si protective layer around U-Mo particles appeared during fuel manufacturing. In this work, the evolution of the microstructure and composition of this protective layer with increasing Si concentrations in the Al matrix has been investigated. Conclusions are based on the characterization at the micrometer scale (X-ray diffraction and energy dispersive spectroscopy) of U-Mo7/Al-Si diffusion couples obtained by thermal annealing at 450 deg. C. Two types of interaction layers have been evidenced depending on the Si content in the Al-Si alloy: the threshold value is found at about 5 wt.% but obviously evolves with temperature. It has been shown that for Si concentrations ranging from 2 to 10 wt.%, the U-Mo7/Al-Si interaction is bi-layered and the Si-rich part is located close to the Al-Si for low Si concentrations (below 5 wt.%) and close to the U-Mo for higher Si concentrations. For Si weight fraction in the Al alloy lower than 5 wt.%, the Si-rich sub-layer (close to Al-Si) consists of U(Al, Si) 3 + UMo 2 Al 20 , when the other sub-layer (close to U-Mo) is silicon free and made of UAl 3 and U 6 Mo 4 Al 43 . For Si weight concentrations above 5 wt.%, the Si-rich part becomes U 3 (Si, Al) 5 + U(Al, Si) 3 (close to U-Mo) and the other sub-layer (close to Al-Si) consists of U(Al, Si) 3 + UMo 2 Al 20 . On the basis of these results and of a literature survey, a scheme is proposed to explain the formation of different types of ILs between U-Mo and Al-Si alloys (i.e. different protective layers).

  14. Atomic layer deposition of a MoS₂ film.

    Science.gov (United States)

    Tan, Lee Kheng; Liu, Bo; Teng, Jing Hua; Guo, Shifeng; Low, Hong Yee; Tan, Hui Ru; Chong, Christy Yuen Tung; Yang, Ren Bin; Loh, Kian Ping

    2014-09-21

    A mono- to multilayer thick MoS₂ film has been grown by using the atomic layer deposition (ALD) technique at 300 °C on a sapphire wafer. ALD provides precise control of the MoS₂ film thickness due to pulsed introduction of the reactants and self-limiting reactions of MoCl₅ and H₂S. A post-deposition annealing of the ALD-deposited monolayer film improves the crystallinity of the film, which is evident from the presence of triangle-shaped crystals that exhibit strong photoluminescence in the visible range.

  15. A thermodynamic evaluation of the Ti-Mo-C system

    International Nuclear Information System (INIS)

    Shim, J.H.; Oh, C.S.; Lee, D.N.

    1996-01-01

    A thermodynamic assessment of the Ti-Mo-C system has been made, employing a two-sublattice regular solution model for the solid solution and carbide phases and an ordinary subregular solution model for the liquid phase. A set of thermodynamic parameters describing the Gibbs energy of each individual phase in the Ti-Mo-C as well as the Ti-Mo systems was evaluated from thermochemical and phase equilibria information available in the literature through a computer-aided optimization procedure called the CALPHAD method. The comparison between the calculated and experimental results was made and practically important phase diagrams are also presented

  16. Adsorption and dissociation of H2S on Mo(1 0 0) surface by first-principles study

    International Nuclear Information System (INIS)

    Luo, Haijun; Cai, Jianqiu; Tao, Xiangming; Tan, Mingqiu

    2014-01-01

    Density-functional theory calculations had been used to investigate the adsorption and dissociation of H 2 S on Mo(1 0 0) surface. Adsorption mechanisms of H 2 S, HS, S and H on the Mo(1 0 0) surface were analyzed. H 2 S was found to be adsorbed at bridge, hollow and top sites with adsorption energies of −1.25, −1.03 and −0.92 eV, respectively. HS was strongly chemically absorbed at hollow, bridge and top sites with adsorption energies of −4.51, −4.08 and −3.45 eV, respectively, and sulfur and hydrogen preferred to be absorbed at hollow and bridge sites, respectively. In addition, potential energy profiles of H 2 S dissociation on Mo(1 0 0) had been constructed by a climbing image nudged elastic band method. Four possible dissociation pathways of the first H 2 S dehydrogenation were examined with reaction barriers of 0.28, 0.37, 0.075, and 0.21 eV, respectively, while the energy barrier to break the S-H bond of HS with or without hydrogen co-adsorption was almost the same low. This work showed that the decomposition of H 2 S on the molybdenum surface was kinetically and thermodynamically facile. Local densities of electronic states were further used to characterize the interaction between H 2 S and substrate.

  17. Point defects in the 1 T' and 2 H phases of single-layer MoS2: A comparative first-principles study

    Science.gov (United States)

    Pizzochero, Michele; Yazyev, Oleg V.

    2017-12-01

    The metastable 1 T' phase of layered transition metal dichalcogenides has recently attracted considerable interest due to electronic properties, possible topological phases, and catalytic activity. We report a comprehensive theoretical investigation of intrinsic point defects in the 1 T' crystalline phase of single-layer molybdenum disulfide (1 T'-MoS2 ) and provide comparison to the well-studied semiconducting 2 H phase. Based on density functional theory calculations, we explore a large number of configurations of vacancy, adatom, and antisite defects and analyze their atomic structure, thermodynamic stability, and electronic and magnetic properties. The emerging picture suggests that, under thermodynamic equilibrium, 1 T'-MoS2 is more prone to hosting lattice imperfections than the 2 H phase. More specifically, our findings reveal that the S atoms that are closer to the Mo atomic plane are the most reactive sites. Similarly to the 2 H phase, S vacancies and adatoms in 1 T'-MoS2 are very likely to occur while Mo adatoms and antisites induce local magnetic moments. Contrary to the 2 H phase, Mo vacancies in 1 T'-MoS2 are expected to be an abundant defect due to the structural relaxation that plays a major role in lowering the defect formation energy. Overall, our study predicts that the realization of high-quality flakes of 1 T'-MoS2 should be carried out under very careful laboratory conditions but at the same time the facile defects introduction can be exploited to tailor physical and chemical properties of this polymorph.

  18. MoS_2/reduced graphene oxide hybrid with CdS nanoparticles as a visible light-driven photocatalyst for the reduction of 4-nitrophenol

    International Nuclear Information System (INIS)

    Peng, Wen-chao; Chen, Ying; Li, Xiao-yan

    2016-01-01

    Highlights: • MoS_2/rGO hybrid is synthesized using a one-step hydrothermal method. • MoS_2/rGO hybrid is used as the support and cocatalyst for CdS nanoparticles. • CdS-MoS_2/rGO composite is effective photocatalyst for 4-NP reduction in visible light. • Ammonium formate is an effective sacrificial agent for 4-NP photocatalytic reduction. - Abstract: Photocatalytic reduction of nitroaromatic compounds to aromatic amines using visible light is an attractive process that utilizes sunlight as the energy source for the chemical conversions. Herewith we synthesized a composite material consisting of CdS nanoparticles grown on the surface of MoS_2/reduced graphene oxide (rGO) hybrid as a novel photocatalyst for the reduction of 4-nitrophenol (4-NP). The CdS-MoS_2/rGO composite is shown as a high-performance visible light-driven photocatalyst. Even without a noble-metal cocatalyst, the catalyst exhibited a great activity under visible light irradiation for the reduction of 4-NP to much less toxic 4-aminophenol (4-AP) with ammonium formate as the sacrificial agent. Composite CdS-0.03(MoS_2/0.01rGO) was found to be the most effective photocatalyst for 4-NP reduction. The high photocatalytic performance is apparently resulted from the synergetic functions of MoS_2 and graphene in the composite, i.e. the cocatalysts serve as both the active adsorption sites for 4-NP and electron collectors for the separation of electron-hole pairs generated by CdS nanoparticles. The laboratory results show that the CdS-MoS_2/rGO composite is a low-cost and stable photocatalyst for effective reduction and detoxification of nitroaromatic compounds using solar energy.

  19. Solid state reactions of MoO3 and Na2MoO4 with (U.85,Ce.15)O2x

    International Nuclear Information System (INIS)

    Dahale, N.D.; Keskar, Meera; Singh Mudher, K.D.; Chawla, K.L.

    1999-01-01

    (U .85 ,Ce .15 )MoO 6-x was prepared by the solid state reactions of (U .85 ,Ce .15 )O 2±x with MoO 3 in air at 600 deg C. Solid state reactions of Na 2 MoO 4 with (U .85 ,Ce .15 )MoO 6.x up to 550 deg C in air led to the formation of Na 2 (U .85 ,Ce .15 )Mo 2 O 10-x and Na 2 (U .85 , Ce .15 ) 2 Mo 3 O 16-x . These compounds were characterised by x-ray and thermal methods. The x-ray powder data of (U .85 , Ce .15 ) MoO 6-x were indexed on monoclinic system whereas, data of Na 2 (U .85 ,Ce .15 ) Mo 2 O 10-x and Na 2 (U .85 ,Ce .15 ) 2 Mo 3 O 16-x were indexed on orthorhombic and monoclinic system respectively. (author)

  20. Understanding the Hydro-metathesis Reaction of 1-decene by Using Well-defined Silica Supported W, Mo, Ta Carbene/Carbyne Complexes

    KAUST Repository

    Saidi, Aya; Samantaray, Manoja; Tretiakov, Mykyta; Kavitake, Santosh Giridhar; Basset, Jean-Marie

    2017-01-01

    Direct conversion of 1-decene to petroleum range alkanes was obtained using hydro-metathesis reaction. To understand this reaction we employed three different well-defined single site catalysts precursors; [(≡Si-O-)W(CH3)5] 1, [(≡Si-O-)Mo(≡CtBu)(CH2

  1. Adsorption and dissociation of H{sub 2}S on Mo{sub 2}C(001) surface-A first-principle study

    Energy Technology Data Exchange (ETDEWEB)

    Fu, Dianling; Guo, Wenyue, E-mail: wyguo@upc.edu.cn; Liu, Yunjie; Chi, Yuhua

    2015-10-01

    Highlights: • Adsorption of reactants, intermediates involved was investigated. • The Mulliken charge and partial density of states were analyzed. • The dissociation mechanism was investigated. • The optimal pathway for the dissociation of H{sub 2}S on the Mo{sub 2}C(001) surface was given. - Abstract: The adsorption and decomposition reaction mechanisms of H{sub 2}S on Mo{sub 2}C(001) has been systematically studied using self-consistent periodic density functional theory. Results show that the molecular of H{sub 2}S is adsorbed either on the Mo top site or bridge site. Mulliken population analysis and density of states for H{sub 2}S/Mo-terminated Mo{sub 2}C(001) adsorption system are examined to confirm the adsorption mechanism of H{sub 2}S with the Mo{sub 2}C(001) surface, which can involve the donation of charge from the “s lone pair electrons” that are LUMO orbitals into the surface and the back donation of electrons from the surface into the HOMO orbital. The optimal pathway for the dissociation of H{sub 2}S on the Mo{sub 2}C(001) surface can be H{sub 2}S{sub top} → SH{sub fcc} + H{sub fcc} → S{sub fcc} + H{sub fcc} + H{sub fcc}. The first step is the rate-determining step because it has the smallest rate constant among the possible reactions pathways.

  2. Study on Mo(V) species, location and adsorbates interactions in MoH-SAPO-34 by employing ESR and electron spin-echo modulation spectroscopies

    International Nuclear Information System (INIS)

    Back, Gern Ho; Jang, Chang Ki; Ru, Chang Kuk; Cho, Young Hwan; So, Hyun Soo; Larry, Keven

    2002-01-01

    A solid-state reaction of MoO 3 with as-synthesized H-SAPO-34 generated paramagnetic Mo(V) species. The dehydration resulted in weak Mo(V) species, and subsequent activation resulted in the formation of Mo(V) species such as Mo(V) 5c and Mo(V) 6c that are characterized by ESR. The data of ESR and ESEM show the oxomolybdenum species, to be (MoO 2 ) + or (MoO) 3+ . The (MoO 2 ) + species seems to be more probable. Since H-SAPO-34 has a low framework negative charge, (MoO) 3+ with a high positive charge can not be easily stabilized. A solution reaction between the solution of silico-molybdic acid and calcined H-SAPO-34 resulted in only MoO + 2 species. A rhombic ESR signal is observed on adsorption of D 2 O, CD 3 OH, CH 3 CH 2 OD and ND 3 . The Location and coordination structure of Mo(V) species has been determined by three-pulse electron spin-echo modulation data and their simulations. After the adsorption of methanol, ethylene, ammonia, and water for MoH-SAPO-34, three molecules, one and one molecule, respectively, are directly coordinated to (MoO 2 ) +

  3. A facile lyophilization synthesis of MoS{sub 2} QDs@graphene as a highly active electrocatalyst for hydrogen evolution reaction

    Energy Technology Data Exchange (ETDEWEB)

    Li, Wenzhu; Li, Feng; Wang, Xiang; Tang, Yu; Yang, Yuanyuan; Gao, Wenbin [State Key Laboratory of Applied Organic Chemistry (SKLAOC), College of Chemistry and Chemical Engineering, Lanzhou University, Lanzhou 730000 (China); Gansu Provincial Engineering Laboratory for Chemical Catalysis, College of Chemistry and Chemical Engineering, Lanzhou University, Lanzhou 730000 (China); Li, Rong, E-mail: liyirong@lzu.edu.cn [State Key Laboratory of Applied Organic Chemistry (SKLAOC), College of Chemistry and Chemical Engineering, Lanzhou University, Lanzhou 730000 (China); Gansu Provincial Engineering Laboratory for Chemical Catalysis, College of Chemistry and Chemical Engineering, Lanzhou University, Lanzhou 730000 (China)

    2017-04-15

    Highlights: • The target catalyst was prepared by a facile and novel lyophilization method. • The HER activity of various morphologies of MoS{sub 2}-based catalysts were studied. • The catalyst owns superior dispersion, large active sites and high conductivity. • The catalyst exhibits superior HER activity and long-term stability. - Abstract: The development of robust, active and nonprecious electrocatalysts for hydrogen evolution reaction is quite urgent but still challenging. Here MoS{sub 2} QDs@Graphene is prepared via a facile lyophilization method, which leads to a better dispersion of MoS{sub 2} QDs on the graphene and optimizes the electronic mobility between the MoS{sub 2} layers. Impressively, the electrocatalyst MoS{sub 2} QDs@Graphene demonstrates the remarkable activity for HER in 0.5 M H{sub 2}SO{sub 4} solution, with a current density of 10 mA cm{sup −2} at a low overpotential of 140 mV and strong stability in acid condition. The achieved excellent performance is attributed to its morphology with large amount of active sites fabricated by the lyophilization method. This new method opens new pathway for the fabrication of non-precious metal electrocatalysts achieving high activity.

  4. Doping induced grain size reduction and photocatalytic performance enhancement of SrMoO{sub 4}:Bi{sup 3+}

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Yunjian, E-mail: wangyunjianmail@163.com; Xu, Hui; Shao, Congying; Cao, Jing, E-mail: caojing@mail.ipc.ac.cn

    2017-01-15

    Graphical abstract: Photocatalytic performance of SrMoO{sub 4} was greatly improved by Bi{sup 3+} doping effects, including crystalline size reduction, band gap narrowing, and lattice contraction. - Highlights: • An efficient SrMoO{sub 4} photocatalyst was fabricated by Bi{sup 3+} doping under hydrothermal condition. • Bi{sup 3+} doping effects, including crystalline size reduction, band gap narrowing, and lattice contraction were discovered in SrMoO{sub 4} nanomaterials. • The photocatalytic activity was great improved on account of Bi{sup 3+} doping effects. • Photoluminescence studies found that hydroxyl radical (·OH) is the main active species in the photocatalytic degradation process. - Abstract: Ion doping is one of the most effective ways to develop photocatalysts by creating impurity levels in the energy band structure. In this paper, novel Bi{sup 3+} doped SrMoO{sub 4} (SrMoO{sub 4}:Bi{sup 3+}) nanocrystals were prepared by a simple hydrothermal method. By systematic characterizations using x-ray diffraction, infrared spectra, UV–vis spectra, X-ray photoelectron spectroscopy and transmission electron microscopy, it is demonstrated that all the samples crystallized in a single phase of scheelite structure, and particle sizes of SrMoO{sub 4}:Bi{sup 3+} gradually decreased. The Bi{sup 3+} doped nanoparticles showed lattice contraction, and band-gap narrowing. The photocatalytic activity of the samples was measured by monitoring the degradation of methylene blue dye in an aqueous solution under UV-radiation exposure. It is found that SrMoO{sub 4}:Bi{sup 3+} showed excellent activity toward photodegradation of methylene blue solution under UV light irradiation compared to the pure SrMoO{sub 4}. These observations are interpreted in terms of the Bi{sup 3+} doping effects and the increased the surface active sites, which results in the improved the ratio of surface charge carrier transfer rate and reduced the electron–hole recombination rate. These

  5. Study of the dynamics of the MoO2-Mo2C system for catalytic partial oxidation reactions

    Science.gov (United States)

    Cuba Torres, Christian Martin

    On a global scale, the energy demand is largely supplied by the combustion of non-renewable fossil fuels. However, their rapid depletion coupled with environmental and sustainability concerns are the main drivers to seek for alternative energetic strategies. To this end, the sustainable generation of hydrogen from renewable resources such as biodiesel would represent an attractive alternative solution to fossil fuels. Furthermore, hydrogen's lower environmental impact and greater independence from foreign control make it a strong contender for solving this global problem. Among a wide variety of methods for hydrogen production, the catalytic partial oxidation offers numerous advantages for compact and mobile fuel processing systems. For this reaction, the present work explores the versatility of the Mo--O--C catalytic system under different synthesis methods and reforming conditions using methyl oleate as a surrogate biodiesel. MoO2 exhibits good catalytic activity and exhibits high coke-resistance even under reforming conditions where long-chain oxygenated compounds are prone to form coke. Moreover, the lattice oxygen present in MoO2 promotes the Mars-Van Krevelen mechanism. Also, it is introduced a novel beta-Mo2C synthesis by the in-situ formation method that does not utilize external H2 inputs. Herein, the MoO 2/Mo2C system maintains high catalytic activity for partial oxidation while the lattice oxygen serves as a carbon buffer for preventing coke formation. This unique feature allows for longer operation reforming times despite slightly lower catalytic activity compared to the catalysts prepared by the traditional temperature-programmed reaction method. Moreover, it is demonstrated by a pulse reaction technique that during the phase transformation of MoO2 to beta-Mo2C, the formation of Mo metal as an intermediate is not responsible for the sintering of the material wrongly assumed by the temperature-programmed method.

  6. Electron-impact ionization of Mo+

    International Nuclear Information System (INIS)

    Ludlow, J.A.; Loch, S.D.; Pindzola, M.S.

    2005-01-01

    The electron-impact direct ionization cross section for Mo + is calculated using both nonperturbative close-coupling and perturbative distorted-wave methods. When distorted-wave calculations for 4d 5 →4d 4 direct ionization are added to distorted-wave calculations for 4p→nl excitation-autoionization, the experimental measurements are found to be 60% lower than the theoretical predictions. Inclusion of nonperturbative three-body Coulomb effects, present in time-dependent close-coupling calculations, are found to reduce the distorted-wave 4d 5 →4d 4 direct ionization cross section by 25%. This is by far the largest reduction yet seen when comparing the two methods for direct subshell ionization of an atomic positive ion in the ground state. However, when the close-coupling calculations for 4d 5 →4d 4 direct ionization are added to distorted-wave calculations for 4p→nl excitation-autoionization, the experimental measurements are still 45% lower than the theoretical predictions. Although we further investigate correlation effects in the initial target state and term-dependent potential effects in the ejected electron state in an attempt to understand the small magnitude of the experimental measurements, the discrepancy between theory and experiment remains unexplained

  7. Controlled synthesis of MoO3 microcrystals by subsequent calcination of hydrothermally grown pyrazine–MoO3 nanorod hybrids and their photodecomposition properties

    International Nuclear Information System (INIS)

    Rajagopal, S.; Nataraj, D.; Khyzhun, O.Y.; Djaoued, Yahia; Robichaud, Jacques; Kim, Chang-Koo

    2013-01-01

    We present our results on successful synthesis of pyrazine–MoO 3 nanorod hybrids by using pyrazine and MoO 3 nanorods. On the first stage, MoO 3 nanorods were grown hydrothermally and, on the second stage, their mixture with pyrazine was again involved in a hydrothermal reaction to produce organic–inorganic hybrids. To understand the growth mechanism of the hybrids we varied time and temperature of the hydrothermal process. Intercalation of pyrazine was confirmed through X-ray diffraction analysis, X-ray photoelectron spectroscopy, X-ray emission spectroscopy, scanning electron microscopy methods. Upon calcinations, pyrazine was deintercalated, i.e. removed from the MoO 3 hybrid system, and the MoO 3 nanorods were found to bind together resulting in formation of MoO 3 microslabs with increased surface area. Photodecomposition performance of the MoO 3 nanorods, pyrazine–MoO 3 hybrids and MoO 3 microcrystals was studied against Procion Red MX-5B textile dye. A high photodecomposition performance was found to decrease when going from MoO 3 nanorods to MoO 3 microcrystal and, further, to pyrazine–MoO 3 hybrids. - Graphical abstract: Display Omitted - Highlights: • High aspect ratio MoO 3 nanorods were prepared through a new hydrothermal method. • Hybrids of pyrazine–MoO 3 were formed by intercalating pyrazine into MoO 3 nanorods. • Intercalation of pyrazine was confirmed in X-ray spectroscopic analysis. • After calcinations, MoO 3 crystal was retained by binding MoO 3 nanorods together. • High photodegradation performance was noticed from MoO 3 nanorods

  8. Effect of Mo2C/(Mo2C + WC) weight ratio on the microstructure and mechanical properties of Ti(C,N)-based cermet tool materials

    International Nuclear Information System (INIS)

    Xu, Qingzhong; Zhao, Jun; Ai, Xing; Qin, Wenzhen; Wang, Dawei; Huang, Weimin

    2015-01-01

    To optimize the Mo 2 C content in Ti(C,N)-based cermet tool materials used for cutting the high-strength steel of 42CrMo (AISI 4140/4142 steel), the cermets with different Mo 2 C/(Mo 2 C + WC) weight ratios were prepared. And the microstructure and mechanical properties of cermets were investigated by scanning electron microscope (SEM), X-ray diffraction (XRD) and measurements of transverse rupture strength (TRS), Vickers hardness (HV) and fracture toughness (K IC ). The results indicate that the Mo 2 C/(Mo 2 C + WC) ratios have great influences on the microstructure features and mechanical properties of Ti(C,N)-based cermets. When the Mo 2 C/(Mo 2 C + WC) ratio increases, the Ti(C,N) grains become finer with smaller black cores surrounded by thinner rims, and the structure of cermets tends to be more compact with smaller binder mean free path. Owing to the medium grains and moderate rims, the cermets with a Mo 2 C/(Mo 2 C + WC) ratio of 0.4 exhibit better mechanical properties, and can be chosen as the tool material for machining 42CrMo steel due to the lower Mo content. - Highlights: • Mo 2 C/(Mo 2 C + WC) ratios affect microstructure and mechanical properties of cermets. • Grains become fine and structure of cermets tends to be compact with raised Mo 2 C. • The cermets with a Mo 2 C/(Mo 2 C + WC) ratio of 0.4 can be used to machine 42CrMo steel

  9. Measurement of formation cross-section of 99Mo from the 98Mo(n,γ) and 100Mo(n,2n) reactions.

    Science.gov (United States)

    Badwar, Sylvia; Ghosh, Reetuparna; Lawriniang, Bioletty M; Vansola, Vibha; Sheela, Y S; Naik, Haladhara; Naik, Yeshwant; Suryanarayana, Saraswatula V; Jyrwa, Betylda; Ganesan, Srinivasan

    2017-11-01

    The formation cross-section of medical isotope 99 Mo from the 98 Mo(n,γ) reaction at the neutron energy of 0.025eV and from the 100 Mo(n,2n) reaction at the neutron energies of 11.9 and 15.75MeV have been determined by using activation and off-line γ-ray spectrometric technique. The thermal neutron energy of 0.025eV was used from the reactor critical facility at BARC, Mumbai, whereas the average neutron energies of 11.9 and 15.75MeV were generated using 7 Li(p,n) reaction in the Pelletron facility at TIFR, Mumbai. The experimentally determined cross-sections were compared with the evaluated nuclear data libraries of ENDF/B-VII.1, CENDL-3.1, JENDL-4.0 and JEFF-3.2 and are found to be in close agreement. The 100 Mo(n,2n) 99 Mo reaction cross-sections were also calculated theoretically by using TALYS-1.8 and EMPIRE-3.2 computer codes and compared with the experimental data. Copyright © 2017 Elsevier Ltd. All rights reserved.

  10. Phase equilibria in the Tl2MoO4–R2(MoO43–Zr(MoO42 (R = Al, Cr systems: synthesis, structure and properties of new triple molybdates Tl5RZr(MoO46 and TlRZr0.5(MoO43

    Directory of Open Access Journals (Sweden)

    V. G. Grossman

    2017-12-01

    Full Text Available The Tl2MoO4–R2(MoO43–Zr(MoO42 (R = Al, Cr systems were studied in the subsolidus region using X-ray powder diffraction and differential scanning calorimetric (DSC analysis. Quasi-binary joins were revealed, and triangulation was carried out. New ternary molybdates: Tl5RZr(MoO46 (5:1:2 and TlRZr0.5(MoO43 (1:1:1 (R = Al, Cr were prepared. The unit cell parameters for the new compounds were calculated.

  11. Synthesis and characterization of MoO3 films by acid hydrolysis of K2Mo4O13

    International Nuclear Information System (INIS)

    Hernan, L.; Morales, J.

    1989-01-01

    The behaviour of K 2 Mo 4 O 13 heated under reflux in an acid medium has been studied. A metastable polymorphic MoO 3 phase crystallizing in the hexagonal system was obtained. Lengthy treatment led to the formation of orthorhombic MoO 3 with the (010) planes perfectly oriented parallel to the substrate. SEM images do not support a topotactic mechanism for the successive transformations. The reactions involved probably take place through the polymerization of discrete units formed in the bulk solution

  12. Subsides for optimization of transfer of radioactive liquid waste from 99MO production plant to the waste treatment facility

    International Nuclear Information System (INIS)

    Rego, Maria Eugenia de Melo; Vicente, Roberto; Hiromoto, Goro

    2013-01-01

    The increasing need for radioisotopes lead Brazil to consider the domestic production of 99 Mo from fission of low enriched uranium targets. In order to meet the present demand of 99m Tc generators the planned 'end of irradiation' activity of 99 Mo is about 170 TBq per week. The radioactive waste from the production plant will be transferred to a waste treatment facility at the same site. The total activity of the actinides, fission and activation products present in the waste were predicted based on the fission yield and activation data for the irradiation conditions, such as composition and mass of uranium targets, irradiation time, neutron flux, production process and schedule, already established by the project management. The transfer of the waste from the production plant to the treatment facility will be done by means of special shielded packages. In the present study, the commercially available code Scale 6.0 was used to simulate the irradiation of the targets and the decay of radioactive products, assuming that an alkaline dissolution process would be performed on the targets before the removal and purification of 99 Mo. The assessment of the shielding required for the packages containing liquid waste was done using MicroShield 9 code. The results presented here are part of a project that aims at contributing to the design of the waste management system for the 99 Mo production facility. (author)

  13. Subsides for optimization of transfer of radioactive liquid waste from {sup 99}MO production plant to the waste treatment facility

    Energy Technology Data Exchange (ETDEWEB)

    Rego, Maria Eugenia de Melo; Vicente, Roberto; Hiromoto, Goro, E-mail: maria.eugenia@ipen.br, E-mail: rvicente@ipen.br, E-mail: hiromoto@ipen.br [Instituto de Pesquisas Energeticas e Nucleares (IPEN/CNEN-SP), Sao Paulo, SP (Brazil)

    2013-07-01

    The increasing need for radioisotopes lead Brazil to consider the domestic production of {sup 99}Mo from fission of low enriched uranium targets. In order to meet the present demand of {sup 99m}Tc generators the planned 'end of irradiation' activity of {sup 99}Mo is about 170 TBq per week. The radioactive waste from the production plant will be transferred to a waste treatment facility at the same site. The total activity of the actinides, fission and activation products present in the waste were predicted based on the fission yield and activation data for the irradiation conditions, such as composition and mass of uranium targets, irradiation time, neutron flux, production process and schedule, already established by the project management. The transfer of the waste from the production plant to the treatment facility will be done by means of special shielded packages. In the present study, the commercially available code Scale 6.0 was used to simulate the irradiation of the targets and the decay of radioactive products, assuming that an alkaline dissolution process would be performed on the targets before the removal and purification of {sup 99}Mo. The assessment of the shielding required for the packages containing liquid waste was done using MicroShield 9 code. The results presented here are part of a project that aims at contributing to the design of the waste management system for the {sup 99}Mo production facility. (author)

  14. MoS2 nanosheets direct supported on reduced graphene oxide: An advanced electrocatalyst for hydrogen evolution reaction.

    Directory of Open Access Journals (Sweden)

    Jiamu Cao

    Full Text Available Molybdenum disulfide nanosheets/reduced graphene oxide (MoS2 NSs/rGO nanohybrid as a highly effective catalyst for hydrogen evolution reaction (HER have been successfully synthesized by a facile microwave-assisted method. The results clearly reveal that direct grown of MoS2 NSs on rGO have been achieved. Electrochemical tests show that the as-prepared hybrid material exhibited excellent HER activity, with a small Tafel slope of 57 mV dec-1, an overpotential of 130 mV and remarkable cycling stability. After analysis, the observed outstanding catalytic performance can be attributed to the uniform distribution of the MoS2 NSs, which are characterized by the presence of multiple active sites as well as the effective electron transport route provided by the conductive rGO substrate. Moreover, according to the classic theory, the mechanism governing of the catalytic HER on the MoS2 NSs/rGO nanohybrid has been clarified.

  15. Ab initio determination of the novel perovskite-related structure of La7Mo7O30 from powder diffraction

    International Nuclear Information System (INIS)

    Goutenoire, F.; Retoux, R.; Lacorre, P.

    1999-01-01

    A new mixed valence molybdate, La 7 Mo 7 O 30 , first prepared by high energy ball milling, has been successfully synthesized by controlled hydrogen reduction of La 2 Mo 2 O 9 . Its original crystal structure was determined from X-ray and neutron powder diffraction (space group R 3 ; a = b = 17.0051(2) angstrom, c = 6.8607(1) angstrom; Z = 3; reliability factors: R p = 0.081, R wp = 0.091, χ 2 = 3.1, R Bragg = 0.049, R F = 0.033). It consists in the hexagonal stacking of individual cylinders of perovskite-type arrangement. These cylinders are built up from perovskite cages sharing corners in trans-position along their diagonal axis. Two different mixed-valence molybdenum sites coexist, with more (Mo +5.75 ) or less (Mo +4.5 ) distorted octahedral environments. Lanthanum atoms are located within the perovskite cages and around them, very close to their regular positions in the perovskite structure. Lanthanum and molybdenum atoms thus form two rows of almost perfect cubes, shifted from each other by c/2. An electron microscopy study revealed the defect-free cationic and octahedral arrangements in the (a,b) plane

  16. Ternary CoS{sub 2}/MoS{sub 2}/RGO electrocatalyst with CoMoS phase for efficient hydrogen evolution

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Yan-Ru; Shang, Xiao [State Key Laboratory of Heavy Oil Processing, China University of Petroleum (East China), Qingdao 266580 (China); Gao, Wen-Kun [State Key Laboratory of Heavy Oil Processing, China University of Petroleum (East China), Qingdao 266580 (China); College of Science, China University of Petroleum (East China), Qingdao 266580 (China); Dong, Bin, E-mail: dongbin@upc.edu.cn [State Key Laboratory of Heavy Oil Processing, China University of Petroleum (East China), Qingdao 266580 (China); College of Science, China University of Petroleum (East China), Qingdao 266580 (China); Chi, Jing-Qi; Li, Xiao; Yan, Kai-Li; Chai, Yong-Ming [State Key Laboratory of Heavy Oil Processing, China University of Petroleum (East China), Qingdao 266580 (China); Liu, Yun-Qi, E-mail: liuyq@upc.edu.cn [State Key Laboratory of Heavy Oil Processing, China University of Petroleum (East China), Qingdao 266580 (China); Liu, Chen-Guang [State Key Laboratory of Heavy Oil Processing, China University of Petroleum (East China), Qingdao 266580 (China)

    2017-08-01

    Highlights: • Ternary CoS{sub 2}/MoS{sub 2}/RGO with CoMoS phase as electrocatalyst for HER was prepared. • CoMoS phase have the metallic nature and highly intrinsic activity for HER. • RGO support ensures good distribution of CoMoS phase and enhances the conductivity. • The introduction of CoMoS and RGO may be a novel strategy for efficient HER of MoS{sub 2}. - Abstract: CoMoS phase with metallic character plays crucial role on enhancing the activity of MoS{sub 2} electrocatalysts for hydrogen evolution reaction (HER). However, only Co atoms located in the edges of MoS{sub 2} can create CoMoS phase, so it is a challenge to obtain CoMoS phase with homogeneous distribution limited by the layered MoS{sub 2} and doping method of Co. Herein, we reported a simple one-pot hydrothermal method to prepare novel ternary CoS{sub 2}/MoS{sub 2}/RGO with CoMoS phase for HER using reduced graphene oxide (RGO) as support. XPS proves the formation of CoMoS phase, implying the enhanced activity for HER. RGO support ensures the well distribution of CoMoS phase and enhances the conductivity of CoS{sub 2}/MoS{sub 2}/RGO. Compared to CoS{sub 2}/RGO, MoS{sub 2}/RGO and CoS{sub 2}/MoS{sub 2}, the obtained CoS{sub 2}/MoS{sub 2}/RGO shows superior activity for HER with an onset overpotential of −80 mV (vs. RHE), small Tafel slope of 56 mV dec{sup −1}, high exchange current density of 11.4 μA cm{sup −2} and rigid electrochemical durability. The enhanced performances for HER may be ascribed to the formation of CoMoS phase with high activity and the existence of RGO support with good electrical conductivitys in ternary CoS{sub 2}/MoS{sub 2}/RGO. Therefore, the introduction of CoMoS phase and RGO into MoS{sub 2} could effectively enhance electrocatalytic properties for HER.

  17. Properties of corrosion resistance in C + Mo multi implanted steel

    International Nuclear Information System (INIS)

    Zhang Tonghe; Wu Yuguang; Wang Xiaoyan

    2001-01-01

    The influence of multi-implantation on the corrosion resistance of H13 steel was studied using multi-sweep cyclic voltammetry. The formation conditions of phases and its effects on corrosion resistance were studied. The mechanism of improvement in corrosion resistance was discussed. The experimental results show that the increase of Mo dose can improve corrosion resistance, however the increase of C dose can enhance pitting corrosion potential. Both effects were obtained using dual-and multi-implantation. The passivation layer consists of the phases of Fe 2 Mo, FeMo, MoC, Fe 5 C 3 and Fe 7 C 3 in dual implantation surface of steel. It can improve corrosion resistance and increase pitting corrosion potential. Multi-implantation can further improve corrosion and pitting corrosion resistance compared with dual implantation

  18. Anisotropy of heat conduction in Mo/Si multilayers

    International Nuclear Information System (INIS)

    Medvedev, V. V.; Yakshin, A. E.; Kruijs, R. W. E. van de; Bijkerk, F.; Yang, J.; Schmidt, A. J.; Zoethout, E.

    2015-01-01

    This paper reports on the studies of anisotropic heat conduction phenomena in Mo/Si multilayers with individual layer thicknesses selected to be smaller than the mean free path of heat carriers. We applied the frequency-domain thermoreflectance technique to characterize the thermal conductivity tensor. While the mechanisms of the cross-plane heat conduction were studied in detail previously, here we focus on the in-plane heat conduction. To analyze the relative contribution of electron transport to the in-plane heat conduction, we applied sheet-resistance measurements. Results of Mo/Si multilayers with variable thickness of the Mo layers indicate that the net in-plane thermal conductivity depends on the microstructure of the Mo layers

  19. Effect of Silicon in U-10Mo Alloy

    Energy Technology Data Exchange (ETDEWEB)

    Kautz, Elizabeth J. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Devaraj, Arun [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Kovarik, Libor [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Lavender, Curt A. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Joshi, Vineet V. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States)

    2017-08-31

    This document details a method for evaluating the effect of silicon impurity content on U-10Mo alloys. Silicon concentration in U-10Mo alloys has been shown to impact the following: volume fraction of precipitate phases, effective density of the final alloy, and 235-U enrichment in the gamma-UMo matrix. This report presents a model for calculating these quantities as a function of Silicon concentration, which along with fuel foil characterization data, will serve as a reference for quality control of the U-10Mo final alloy Si content. Additionally, detailed characterization using scanning electron microscope imaging, transmission electron microscope diffraction, and atom probe tomography showed that Silicon impurities present in U-10Mo alloys form a Si-rich precipitate phase.

  20. Single crystal magnetisation of UFe10Mo2

    International Nuclear Information System (INIS)

    Estrela, P.; Godinho, M.; Spirlet, J.C.

    1997-01-01

    Magnetisation measurements have been performed for different directions on aligned UFe 10 Mo 2 single crystals. The results confirm a basal plane anisotropy and suggest an important magnetic contribution from the uranium sublattice. (orig.)

  1. Support effects on hydrotreating activity of NiMo catalysts

    International Nuclear Information System (INIS)

    Dominguez-Crespo, M.A.; Arce-Estrada, E.M.; Torres-Huerta, A.M.; Diaz-Garcia, L.; Cortez de la Paz, M.T.

    2007-01-01

    The effect of the gamma alumina particle size on the catalytic activity of NiMoS x catalysts prepared by precipitation method of aluminum acetate at pH = 10 was studied. The structural characterization of the supports was measured by using XRD, pyridine FTIR-TPD and nitrogen physisorption. NiMo catalysts were characterized during the preparation steps (annealing and sulfidation) using transmission electron microscopy (TEM). Hydrogen TPR studies of the NiMo catalysts were also carried out in order to correlate their hydrogenating properties and their catalytic functionality. Catalytic tests were carried out in a pilot plant at 613, 633 and 653 K temperatures. The results showed that the rate constants of hydrodesulfurization (HDS), hydrodenitrogenation (HDN) and hydrodearomatizing (HDA) at 613-653 K decreased in the following order: A > B > C corresponding to the increase of NiMoS particle size associated to these catalysts

  2. Monolayer MoS2 heterojunction solar cells

    KAUST Repository

    Tsai, Menglin

    2014-08-26

    We realized photovoltaic operation in large-scale MoS2 monolayers by the formation of a type-II heterojunction with p-Si. The MoS 2 monolayer introduces a built-in electric field near the interface between MoS2 and p-Si to help photogenerated carrier separation. Such a heterojunction photovoltaic device achieves a power conversion efficiency of 5.23%, which is the highest efficiency among all monolayer transition-metal dichalcogenide-based solar cells. The demonstrated results of monolayer MoS 2/Si-based solar cells hold the promise for integration of 2D materials with commercially available Si-based electronics in highly efficient devices. © 2014 American Chemical Society.

  3. Thermal behavior analysis of U-Mo/Al dispersion fuel

    Energy Technology Data Exchange (ETDEWEB)

    Ryu, Ho Jin; Park, Jong Mang; Lee, Yoon Sang; Kim, Chang Kyu [Korea Atomic Energy Research Institute, Taejon (Korea, Republic of)

    2004-07-01

    According to the non-proliferation policy under the reduced enrichment for research and test reactors (RERTR) program, low enriched uranium(LEU) fuel such as uranium silicide dispersion fuels are being used in research reactors. Because of a lower enrichment higher uranium density fuels are required for some high performance research reactors. Some uranium alloys with a high uranium density such as U-Mo alloys have been considered as one of the most promising candidates for a dispersion fuel due to the good irradiation performance. An international qualification program to replace the uranium silicide dispersion fuel with U-Mo dispersion fuel is being carried out under the RERTR program. Although U-Mo powders are conventionally supplied by the mechanical comminuting of as-cast U-Mo alloys, KAERI developed a centrifugal atomization method in order to simplify the preparation process and improve the properties. The centrifugally atomized powders have a rapidly solidified gamma uranium structure and a spherical shape. During the in-reactor operation of a dispersion fuel, interdiffusion or chemical reactions between the fuel particles and the matrix occurr. Intermetallic compounds in the form of UAlx are formed as a result of the diffusional reaction. Because the intermetallic compounds are less dense than the combined reactants, the volume of the fuel element increases after the reaction. In addition to the effect on the swelling performance, the reaction layers between the U-Mo and the Al matrix induces a degradation of the thermal properties of the U-Mo/Al dispersion fuels. It is important to investigate the thermal behavior of U-Mo/Al dispersion fuel according to reaction between the fuel particles and the matrix with the burnup and linear power. In this study, a finite element analysis was used for the calculation of the temperature distribution of the U-Mo/Al dispersion fuel with a burnup and linear power. Kinetics data of the reaction layers such as the growth

  4. Thermal behavior analysis of U-Mo/Al dispersion fuel

    International Nuclear Information System (INIS)

    Ryu, Ho Jin; Park, Jong Mang; Lee, Yoon Sang; Kim, Chang Kyu

    2004-01-01

    According to the non-proliferation policy under the reduced enrichment for research and test reactors (RERTR) program, low enriched uranium(LEU) fuel such as uranium silicide dispersion fuels are being used in research reactors. Because of a lower enrichment higher uranium density fuels are required for some high performance research reactors. Some uranium alloys with a high uranium density such as U-Mo alloys have been considered as one of the most promising candidates for a dispersion fuel due to the good irradiation performance. An international qualification program to replace the uranium silicide dispersion fuel with U-Mo dispersion fuel is being carried out under the RERTR program. Although U-Mo powders are conventionally supplied by the mechanical comminuting of as-cast U-Mo alloys, KAERI developed a centrifugal atomization method in order to simplify the preparation process and improve the properties. The centrifugally atomized powders have a rapidly solidified gamma uranium structure and a spherical shape. During the in-reactor operation of a dispersion fuel, interdiffusion or chemical reactions between the fuel particles and the matrix occurr. Intermetallic compounds in the form of UAlx are formed as a result of the diffusional reaction. Because the intermetallic compounds are less dense than the combined reactants, the volume of the fuel element increases after the reaction. In addition to the effect on the swelling performance, the reaction layers between the U-Mo and the Al matrix induces a degradation of the thermal properties of the U-Mo/Al dispersion fuels. It is important to investigate the thermal behavior of U-Mo/Al dispersion fuel according to reaction between the fuel particles and the matrix with the burnup and linear power. In this study, a finite element analysis was used for the calculation of the temperature distribution of the U-Mo/Al dispersion fuel with a burnup and linear power. Kinetics data of the reaction layers such as the growth

  5. Thermochemical study of MoS2 oxidation

    International Nuclear Information System (INIS)

    Filimonov, D.S.; Topor, N.D.; Kesler, Ya.A.

    1990-01-01

    Thermochemical studies of oxidation processes of metallic molybdenum, sulfur, molybdenum disulfide under different conditions in microcalorimeter are conducted. Values of thermal effects which are used to calculate standard formation enthalpy of MoS 2 and which correlate well are obtained. Δ f H 0 (MoS 2 ,298.15 K) recommended value constitutes (-223.0±16.7) kJ/mol

  6. Fatigue Properties of Aged Mod. 9Cr-1Mo

    International Nuclear Information System (INIS)

    Kim, Dae Whan; Kim, Sung Ho; Lee, Chan Bock

    2007-01-01

    Ferritic/Martensitic steel has a good mechanical properties and a lower thermal expansion coefficient than austenitic stainless steel. Mechanical property of Mod. 9Cr-1Mo steel is less than austenitic stainless steel at high temperature. High temperature mechanical properties are affected by precipitation for Mod. 9Cr-1Mo. FMS steel is used for long time at high temperature and the effect of aging on mechanical properties is very important. In this study, low cycle fatigue properties with aging were investigated

  7. Quality assurance of Mo-99/Tc-99m radionuclide generators

    Science.gov (United States)

    Uzunov, Nikolay; Yordanova, Galina; Salim, Seniha; Stancheva, Natalya; Mineva, Vanya; Meléndez-Alafort, Laura; Rosato, Antonio

    2018-03-01

    Gamma-ray spectrometry analyses of the radionuclide content of eluate from two Mo-99/Tc-99m radionuclide generators POLTECHNET have been performed. The relative activities of 99Mo 103Ru and 131I radioisotopes with respect to the activity of 99mTc at different time intervals after the primary pertechnetate elution of the generators have been analyzed. The relative activities of the isotopes were determined and compared to the radionuclidic purity requirements for 99mTc.

  8. Toroidal deuteron accelerator for Mo-98 neutron activation

    Energy Technology Data Exchange (ETDEWEB)

    Araujo, Wagner L., E-mail: wagner.leite@ifnmg.edu.br, E-mail: tprcampos@pq.cnpq.br [Instituto Federal do Norte de Minas Gerais (IFN-MG), Montes Claros, MG (Brazil); Campos, Tarcisio P.R. Universidade Federal de Minas Gerais (UFMG), Belo Horizonte, MG (Brazil). Departamento de Engenharia Nuclear

    2017-07-01

    The radionuclide Tc-{sup 99m} is the most useful radioisotope in nuclear medicine. It can be produced by the Mo-99 beta minus decay. Mo-99 has often been produced in a high- flux nuclear reactor through radioactive neutron capture reactions on Mo-98. The present paper provides a preliminary design of a toroidal transmutation system (TTS) based on a toroidal compact deuteron accelerator, which can provide the Mo-98 transmutation into Mo-99. This system is essentially composed of a multi-aperture plasma electrode and a target, submitted to 180 kV, where a positive deuteron beam is accelerated toward a titanium-target loaded with deuterium in which nuclear d-d fusion reactions are induced. The Particle Studio package of the Computer Simulation Technology (CST) software was applied to design, simulate and optimize the deuteron beam on the target. MCNP code provided to neutronic analysis. Based on electromagnetic and neutronic simulations, the neutron yield and reaction rates were estimated. The simulated data allowed appraising the Mo-99 activity. A TTS, in a specific configuration, could produce a total deuterium current of 1.6 A at the target and a neutron yield of 10{sup 13} n.s{sup -1}. In a arrangement of 30 column samples, TTS provides 230 mCi s{sup -1} Mo{sup 99} in each column, which represents 80% of Tc-99m in secular equilibrium. As conclusion, the system holds potential for generating Mo-99 and Tc-99m in a suitable activity in secular equilibrium. (author)

  9. Crystal structure of alluaudite-type Na4Co(MoO4)3.

    Science.gov (United States)

    Nasri, Rawia; Fakhar Bourguiba, Noura; Zid, Mohamed Faouzi; Driss, Ahmed

    2014-09-01

    The title compound, tetra-sodium cobalt(II) tris-[molyb-date(IV)], was prepared by solid-state reactions. The structure is isotypic with Na3In2(AsO4)3 and Na3In2(PO4)3. The main structural feature is the presence of infinite chains of edge-sharing X 2O10 (X = Co/Na) dimers, which are linked by MoO4 tetra-hedra, forming a three-dimensional framework enclosing two types of hexa-gonal tunnels in which Na(+) cations reside. In this alluaudite structure, Co and Na atoms are located at the same general site with occupancies of 0.503 (5) and 0.497 (6), respectively. The other three Na and one of the two Mo atoms lie on special positions (site symmetries 2, -1, 2 and 2, respectively). The structure is compared with similar structures and other members of alluaudite family.

  10. Non-stoichiometry of MoS2 phase prepared by sputtering

    International Nuclear Information System (INIS)

    Ito, T.; Nakajima, K.

    1978-01-01

    The lattice parameters and S/Mo atomic ratio in sputtered MoS 2 films have been examined as a function of sputtering conditions, especially the vacuum pressure in the chamber. It was found that the deposited films had a defect MoS 2 structure ranging from 1.6 to 2 in S/Mo ratio, depending on the pressure. (author)

  11. Welding of Low Alloy Steel DIN 15Mo3 by MIG/MAG Spot

    OpenAIRE

    Nabeel K. Abid Al- Sahib

    2006-01-01

    ????? ????? ????? ????? ??????? ?????? ?? ????? ?????? ?????? ?????? ??????? ?????? ?????? (MIG/MAG spot) ???????? ??? ??????? ????? ?? ???? ???????? ????? ??? ???????? ?? ?????? ??????????? ??????? ???????? ????? ???? ??????? ??????? ????? ??? (DIN15Mo3) ?????? ?????? ?????? ?????? ?????? ?? ???? ???? ?????? ???????" ??? ?????? ??? ????. ????? ??????? ??????? ?????? ??? CO2 ????" ?? ??? ??????? ?? ???? ??????? ??????? ????? ?? ?????? ????? ?? ??? ???? ?? ????? (13%) ???? (4mm) ???? (2sec). ?...

  12. Stability and electronic properties of SiC nanowire adsorbed on MoS{sub 2} monolayer

    Energy Technology Data Exchange (ETDEWEB)

    Sharma, Munish, E-mail: munishsharmahpu@live.com; Pooja,; Ahluwalia, P. K. [Department of Physics, Himachal Pradesh University, Shimla, H. P., 171005 (India); Kumar, Ashok [Department of Physics, Panjab University, Chandigarh, 160014 (India)

    2015-06-24

    Structural stability and electronic properties of silicon carbide (SiC) nano-wire on MoS{sub 2} monolayer are investigated within the framework of density functional theory (DFT). The preferred binding site for the SiC nano-wire is predicted to be hollow site of monolayer. In the electronic band structure the states in valence band near Fermi level are mainly due to nano-wire leading to reduction of band gap relative to monolayer. These results provide a platform for their applications in optoelectronic devices.

  13. Enhancing photoresponsivity using MoTe2-graphene vertical heterostructures

    Science.gov (United States)

    Kuiri, Manabendra; Chakraborty, Biswanath; Paul, Arup; Das, Subhadip; Sood, A. K.; Das, Anindya

    2016-02-01

    MoTe2 with a narrow band-gap of ˜1.1 eV is a promising candidate for optoelectronic applications, especially for the near-infrared photo detection. However, the photo responsivity of few layers MoTe2 is very small (graphene vertical heterostructures have a much larger photo responsivity of ˜20 mA W-1. The trans-conductance measurements with back gate voltage show on-off ratio of the vertical transistor to be ˜(0.5-1) × 105. The rectification nature of the source-drain current with the back gate voltage reveals the presence of a stronger Schottky barrier at the MoTe2-metal contact as compared to the MoTe2-graphene interface. In order to quantify the barrier height, it is essential to measure the work function of a few layers MoTe2, not known so far. We demonstrate a method to determine the work function by measuring the photo-response of the vertical transistor as a function of the Schottky barrier height at the MoTe2-graphene interface tuned by electrolytic top gating.

  14. High temperature interdiffusion and phase equilibria in U-Mo

    International Nuclear Information System (INIS)

    Lundberg, L.B.

    1988-01-01

    Experimental data for interdiffusion and phase equilibria in the U-Mo system have been obtained over the temperature range 1400 to 1525 K as a fallout from compatibility experiments in which UO 2 was decomposed by lithium in closed molybdenum capsules. Composition-position, x-ray diffraction and microstructural data from the interdiffusion zones indicate that the intermediate phase U 2 Mo is found in this temperature range, contrary to the currently accepted equilibrium U-Mo phase diagram. The U-Mo interdiffusion data are in good agreement with published values. Inclusion of the U 2 Mo phase in a theoretical correlation of interdiffusion and phase equilibria data using Darken's equation indicate that high temperature interdiffusion of uranium and molybdenum follows the usual thermodynamic rules. Significant changes in the value of the thermodynamic based Darken factor near the U 2 Mo phase boundary on the high uranium side are indicated from both the new and published interdiffusion data. 9 refs., 10 figs., 3 tabs

  15. Characterization of Thin Walled Mo Tubing produced by FBCVD

    Energy Technology Data Exchange (ETDEWEB)

    Beaux, Miles Frank [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Usov, Igor Olegovich [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

    2016-01-21

    The goal of this report is to delineate the results of material characterization performed on Mo tubing produced via the fluidized bed chemical vapor deposition (FBCVD) method. Scanning electron microscopy (SEM) imaging reveals that small randomly oriented grains are achieved in the Mo deposition, but do not persist throughout the entire thickness of the material. Energy dispersive spectroscopy (EDS) reveals the Mo tubes contain residual chlorine and oxygen. EDS measurements on the tube surfaces separated from glass and quartz substrates reveal substrate material adhered to this surface. X-ray diffraction (XRD) revealed the presence of carbon contaminant in the form of Mo2C and oxygen in the form of MoO2. Combustion infrared detection (CID) and inert gas fusion (IGF) performed at Luvak Inc. was used to quantify weight percentages of oxygen and carbon in the tubes produced. Hardness value of the FBCVD Mo was found to be comparable to low carbon arc cast molybdenum.

  16. Tunneling in BP-MoS2 heterostructure

    Science.gov (United States)

    Liu, Xiaochi; Qu, Deshun; Kim, Changsik; Ahmed, Faisal; Yoo, Won Jong

    Tunnel field effect transistor (TFET) is considered to be a leading option for achieving SS mV/dec. In this work, black phosphorus (BP) and molybdenum disulfide (MoS2) heterojunction devices are fabricated. We find that thin BP flake and MoS2 form normal p-n junctions, tunneling phenomena can be observed when BP thickness increases to certain level. PEO:CsClO4 is applied on the surface of the device together with a side gate electrode patterned together with source and drain electrodes. The Fermi level of MoS2 on top of BP layer can be modulated by the side gating, and this enables to vary the MoS2-BP tunnel diode property from off-state to on-state. Since tunneling is the working mechanism of MoS2-BP junction, and PEO:CsClO4\\ possesses ultra high dielectric constant and small equivalent oxide thickness (EOT), a low SS of 55 mV/dec is obtained from MoS2-BP TFET. This work was supported by the Global Research Laboratory and Global Frontier R&D Programs at the Center for Hybrid Interface Materials, both funded by the Ministry of Science, ICT & Future Planning via the National Research Foundation of Korea (NRF).

  17. Nuclear structure of 94,95Mo at high spins

    International Nuclear Information System (INIS)

    Kharraja, B.; Ghugre, S.S.; Garg, U.; Janssens, R.V.; Carpenter, M.P.; Crowell, B.; Khoo, T.L.; Lauritsen, T.; Nisius, D.; Reviol, W.; Mueller, W.F.; Riedinger, L.L.; Kaczarowski, R.

    1998-01-01

    The high-spin level structures of 94,95 Mo (N=52,53) have been investigated via the 65 Cu( 36 S, αp2n) 94 Mo and 65 Cu( 36 S, αpn) 95 Mo reactions at 142 MeV. The level schemes have been extended up to spin J∼19ℎ and excitation energies E x ∼12 MeV. Spherical shell-model calculations have been performed and compared with the experimental energy levels. The level structure of 94 Mo exhibits a single-particle nature and the higher-angular-momentum states are dominated by the excitation of a g 9/2 neutron across the N=50 shell gap. The level sequences observed in 95 Mo have been interpreted on the basis of the spherical shell model and weak coupling of a d 5/2 or a g 7/2 neutron to the 94 Mo core. copyright 1998 The American Physical Society

  18. MoEDAL: Passive but no less active

    CERN Multimedia

    MoEDAL Collaboration

    2015-01-01

    Relying almost completely on passive detectors, MoEDAL is a pioneering experiment designed to search for highly ionising avatars of new physics, such as magnetic monopoles or massive (pseudo-)stable charged particles. The first test detectors were deployed at LHC Point 8 in 2012 and analysed in 2013, and the full MoEDAL detector was installed in the winter of 2014 to start data-taking during Run 2 this year.   The image shows the MoEDAL detector systems installed at Point 8 of the LHC. MoEDAL’s groundbreaking physics programme defines over 30 scenarios that yield potentially revolutionary insights into such fundamental questions as: are there extra dimensions or new symmetries? Does magnetic charge exist? What is the nature of dark matter? And how did the big bang develop? MoEDAL's purpose is to meet such far-reaching challenges at the frontier of the field. Having reached its final configuration in winter 2014, MoEDAL now consists of ten layers of plastic attached to the ...

  19. MoCha: Molecular Characterization of Unknown Pathways.

    Science.gov (United States)

    Lobo, Daniel; Hammelman, Jennifer; Levin, Michael

    2016-04-01

    Automated methods for the reverse-engineering of complex regulatory networks are paving the way for the inference of mechanistic comprehensive models directly from experimental data. These novel methods can infer not only the relations and parameters of the known molecules defined in their input datasets, but also unknown components and pathways identified as necessary by the automated algorithms. Identifying the molecular nature of these unknown components is a crucial step for making testable predictions and experimentally validating the models, yet no specific and efficient tools exist to aid in this process. To this end, we present here MoCha (Molecular Characterization), a tool optimized for the search of unknown proteins and their pathways from a given set of known interacting proteins. MoCha uses the comprehensive dataset of protein-protein interactions provided by the STRING database, which currently includes more than a billion interactions from over 2,000 organisms. MoCha is highly optimized, performing typical searches within seconds. We demonstrate the use of MoCha with the characterization of unknown components from reverse-engineered models from the literature. MoCha is useful for working on network models by hand or as a downstream step of a model inference engine workflow and represents a valuable and efficient tool for the characterization of unknown pathways using known data from thousands of organisms. MoCha and its source code are freely available online under the GPLv3 license.

  20. Site Restoration

    Energy Technology Data Exchange (ETDEWEB)

    Noynaert, L.; Bruggeman, A.; Cornelissen, R.; Massaut, V.; Rahier, A

    2002-04-01

    The objectives, the programme, and the achievements of SCK-CEN's Site Restoration Department for 2001 are described. Main activities include the decommissioning of the BR3 PWR-reactor as well as other clean-up activities, projects on waste minimisation and the management of spent fuel and the flow of dismantled materials and the recycling of materials from decommissioning activities based on the smelting of metallic materials in specialised foundries. The department provides consultancy and services to external organisations and performs R and D on new techniques including processes for the treatment of various waste components including the reprocessing of spent fuel, the treatment of tritium, the treatment of liquid alkali metals into cabonates through oxidation, the treatment of radioactive organic waste and the reconditioning of bituminised waste products.

  1. Mochovce site

    International Nuclear Information System (INIS)

    1997-01-01

    In Mochovce site the construction of four units of WWER 440 NPP with V-213 type of reactor is being carried out. The financing of Mochovce units completion was resolved in April 1996. The completion work commenced at the construction site under leadership of SKODA Prague, the general supplier. The completion work on building part and tests of constructional electric distributions and lightning constructors started. The revisions in technological part were finished, and final protocols from revisions are the basis for starting of completion work. The assembly of transport container anchorage,ventilation system in hermetic areas and hermetic coverage of pools for stored spent nuclear fuel is being carried out. The pre-completion tests of instrumentation and control of ventilation systems, individual dosimetric control in medical station, and tests of nuclear programme according to commissioning and assembling work schedule at the equipment for physical protection of the NPP area started. Inspection activities at Mochovce were performed in accordance with inspection plan for 1996. Evaluation of routine inspections was performed by means of quarterly protocols. Main findings from the inspections performed in Mochovce were in the following areas: (a) deficiencies in the knowledge of the respective regulation and conditions from the Resolution of the state regulatory body, concerning selected employees; (b) training of the selected employees; (c) aim of the measures imposes by inspectors is to eliminate deficiencies in preparation of programmes for pre-completion and completion testing. NRA SR assessment activities at Mochovce NPP were focused mainly on approving and inspecting of design modification to approving programmes for pre-completion and completion testing of system s and equipment and on approving quality assurance programmes. The suggestions of international missions, which reviewed Mochovce safety in the years, were taken into consideration in the programme

  2. Influence of H2O and H2S on the Composition, Activity, and Stability of Sulfided Mo, CoMo, and NiMo Supported on MgAl2O4 for Hydrodeoxygenation of Ethylene Glycol

    DEFF Research Database (Denmark)

    Dabros, Trine Marie Hartmann; Gaur, Abhijeet; Pintos, Delfina Garcia

    2018-01-01

    In this work, density functional theory (DFT), catalytic activity tests, and in-situ X-ray absorption spectroscopy (XAS) was performed to gain detailed insights into the activity and stability of MoS2, Ni-MoS2, and Co-MoS2 catalysts used for hydrodeoxygenation (HDO) of ethylene glycol upon...

  3. Achieving tunable doping of MoSe2 based devices using GO@MoSe2 heterostructure

    Science.gov (United States)

    Maji, Tuhin Kumar; Tiwary, Krishna Kanhaiya; Karmakar, Debjani

    2017-05-01

    Doping nature of MoSe2, one of the promising Graphene analogous device material, can be tuned by controlling the concentration of functional groups in Graphene oxide (GO)@MoSe2 heterostructure. In this study, by first-principles simulation, we have observed that GO can be used as a carrier injection layer for MoSe2, where n or p type carriers are introduced within MoSe2 layer depending on the type and concentration of functional moieties in it. Both n and p-type Schottky barrier height modulations are investigated for different modeled configurations of the heterostructure. This combinatorial heterostructure can be a promising material for future electronic device application.

  4. Energy dispersive X-ray fluorescence analysis with Bragg polarized Mo radiation. Energiedispersive Roentgenfluoreszenzanalyse mit Bragg-polarisierter Mo Strahlung

    Energy Technology Data Exchange (ETDEWEB)

    Gloeckl, H

    1983-01-01

    The aim of introducing energy dispersive analysis into X-ray fluorescence analysis is to suppress background from the Bremsstrahlung spectrum and the characteristic radiation without an undue reduction of the signal. The variant under consideration uses linearly polarization radiation obtained after a Bragg reflection,under delta = 90/sup 0/. In an introductory part, Bragg reflection, fluorescence and strong radiation are considered quantitatively with respect to counting statistics and detection limits. In the experimental part two combinations are describe, of a Ta crystal with a Cr tube and of a Mo crystal with a Mo tube. Details of adjustment, sample preparation and calibration and detection limits are given. The pros and cons of the Ta/Cr and the Mo/Mo are contrasted and proposals for further improvements are given.

  5. Irradiation performance of U-Mo-Ti and U-Mo-Zr dispersion fuels in Al-Si matrixes

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Yeon Soo, E-mail: yskim@anl.gov [Argonne National Laboratory, 9700 South Cass Avenue, Argonne, IL 60439 (United States); Hofman, G.L. [Argonne National Laboratory, 9700 South Cass Avenue, Argonne, IL 60439 (United States); Robinson, A.B.; Wachs, D.M. [Idaho National Laboratory, P.O. Box 1625, Idaho Falls, ID 83415-6188 (United States); Ryu, H.J.; Park, J.M.; Yang, J.H. [Korea Atomic Energy Research Institute, 150 Deokjin-dong, Yuseong-gu, Daejeon 305-353 (Korea, Republic of)

    2012-08-15

    Performance of U-7 wt.%Mo with 1 wt.%Ti, 1 wt.%Zr or 2 wt.%Zr, dispersed in an Al-5 wt.%Si alloy matrix, was investigated through irradiation tests in the ATR at INL and HANARO at KAERI. Post-irradiation metallographic features show that the addition of Ti or Zr suppresses interaction layer growth between the U-Mo and the Al-5 wt.%Si matrix. However, higher fission gas swelling was observed in the fuel with Zr addition, while no discernable effect was found in the fuel with Ti addition as compared to U-Mo without the addition. Known to have a destabilizing effect on the {gamma}-phase U-Mo, Zr, either as alloy addition or fission product, is ascribed for the disadvantageous result. Considering its benign effect on fuel swelling, with slight disadvantage from neutron economy point of view, Ti may be a better choice for this purpose.

  6. The Tribological Performance of CrMoN/MoS2 Solid Lubrication Coating on a Piston Ring

    Directory of Open Access Journals (Sweden)

    Yuelan Di

    2017-05-01

    Full Text Available In order to improve the tribological properties of an engine piston ring and enhance its service life, magnetron sputtering technology and low temperature ion sulphurizing treatment technology were used to prepare CrMoN/MoS2 solid lubricant coating on the surface of an engine piston ring. The morphologies and compositions of the surface and cross-section of the sulfuration layer were analyzed by field emission scanning electron microscopy (FESEM, and wear property under high load, high speed and high temperature conditions were tested by a SRV®4 friction and wear testing machine. The results show that the CrMoN/MoS2 composite coatings appear as a dense grain structure, and the coating is an ideal solid lubrication layer that possesses an excellent high temperature wear resistance, reducing the engine operating temperature abrasion effectively and prolonging the service life of the engine.

  7. Ionic Liquid-Assisted Synthesis of Nanoscale (MoS2)x(SnO2)1-x on Reduced Graphene Oxide for the Electrocatalytic Hydrogen Evolution Reaction.

    Science.gov (United States)

    Ravula, Sudhir; Zhang, Chi; Essner, Jeremy B; Robertson, J David; Lin, Jian; Baker, Gary A

    2017-03-08

    Layered transition metal dichalcogenides (TMDs) have attracted increased attention due to their enhanced hydrogen evolution reaction (HER) performance. More specifically, ternary TMD nanohybrids, such as MoS 2(1-x) Se 2x or bimetallic sulfides, have arisen as promising electrocatalysts compared to MoS 2 and MoSe 2 due to their electronic, morphologic, and size tunabilities. Herein, we report the successful synthesis of few-layered MoS 2 /rGO, SnS 2 /rGO, and (MoS 2 ) x (SnO 2 ) 1-x /rGO nanohybrids anchored on reduced graphene oxide (rGO) through a facile hydrothermal reaction in the presence of ionic liquids as stabilizing, delayering agents. Spectroscopic and microscopic techniques (electron microscopy, X-ray diffraction, Raman spectroscopy, neutron activation analysis, and UV-vis spectrophotometry) are used to validate the hierarchical properties, phase identity, and the smooth compositional tunability of the (MoS 2 ) x (SnO 2 ) 1-x /rGO nanohybrids. Linear sweep voltammetry measurements reveal that incorporation of Sn into the ternary nanohybrids (as a discrete SnO 2 phase) greatly reduces the overpotential by 90-130 mV relative to the MoS 2 electrocatalyst. Significantly, the (MoS 2 ) 0.6 (SnO 2 ) 0.4 /rGO nanohybrid displays superior catalytic performance over MoS 2 alone, exhibiting a low overpotential (η 10 ) of 263 ± 5 mV and a small Tafel slope of 50.8 mV dec -1 . The hybrid catalyst shows high stability for the HER in acidic solutions, with negligible activity loss after 1000 cycles. The hierarchical structures and large surface areas possessing exposed, active edge sites make few-layered (MoS 2 ) x (SnO 2 ) 1-x /rGO nanohybrids promising nonprecious metal electrocatalysts for the HER.

  8. Kinetics of the U-1% Mo alloy transformation during continual cooling; Kinetika transformacije legura U-1% Mo pri kontinuiranom hladjenju

    Energy Technology Data Exchange (ETDEWEB)

    Mihajlovic, A; Djuric, B; Tepavac, P [Institute of Nuclear Sciences Boris Kidric, Vinca, Beograd (Yugoslavia)

    1965-11-15

    Study of continuous cooling of the U-1% Mo alloy is significant if it could be used as fuel in the nuclear reactor. Previous studies were dealing with relatively low cooling rate up to 3 deg C/s{sup 1}, which produced alpha + gamma structure. This task was devoted to testing the U-1% Mo alloy properties at higher cooling rates in order to discover whether bainite reaction and favourable alpha grain could be achieved under certain conditions.

  9. Vertical MoSe2-MoO x p-n heterojunction and its application in optoelectronics

    Science.gov (United States)

    Chen, Xiaoshuang; Liu, Guangbo; Hu, Yunxia; Cao, Wenwu; Hu, PingAn; Hu, Wenping

    2018-01-01

    The hybrid n-type 2D transition-metal dichalcogenide (TMD)/p-type oxide van der Waals (vdW) heterojunction nanosheets consist of 2D layered MoSe2 (the n-type 2D material) and MoO x (the p-type oxide) which are grown on SiO2/Si substrates for the first time via chemical vapor deposition technique, displaying the regular hexagon structures with the average length dimension of sides of ˜8 μm. Vertical MoSe2-MoO x p-n heterojunctions demonstrate obviously current-rectifying characteristic, and it can be tuned via gate voltage. What is more, the photodetector based on vertical MoSe2-MoO x heterojunctions displays optimal photoresponse behavior, generating the responsivity, detectivity, and external quantum efficiency to 3.4 A W-1, 0.85 × 108 Jones, and 1665.6%, respectively, at V ds = 5 V with the light wavelength of 254 nm under 0.29 mW cm-2. These results furnish a building block on investigating the flexible and transparent properties of vdW and further optimizing the structure of the devices for better optoelectronic and electronic performance.

  10. Measurements of emissivities on JT-60 first wall materials (inconel 625, Mo, TiC-coated Mo)

    International Nuclear Information System (INIS)

    Nakamura, Hiroo; Shimizu, Masatsugu; Makino, Toshiro; Kunitomo, Takeshi.

    1985-02-01

    To evaluate heat removal performance of JT-60 first wall, emissivities and reflectivities on Inconel 625, Mo, TiC coated Mo with optically smooth surface and actual surface are measured at temperature from a room temperature to 1300 K. Spectra are measured in the rnage of wave lengthes from 0.34 μm to 20 μm. Actual surfaces are machined/pickled surfaces for Inconel 625, electro-polished surfaces for molybdenum, and as-coated surfaces for TiC-coated molybdenum. Results of Inconel 625 and molybdenum with oplically smooth surfaces are examined by a two-electrons-type dispersion model of optical constants. Electronic constants of the equation are given and formulated in order to correlates the macroscopic properties of the radiative heat transfer. Total emissivities, obtained from the spectral emissivities of optically smooth surface, are 0.13(RT) -- 0.21(1300 K) for Inconel 625, 0.035(RT) -- 0.18(1300 K) for Mo, and 0.053(RT) for TiC-coated Mo. Moreover, total emissivities of the actual surface at a room temperature are 0.35(Inconel 625), 0.124(Mo), and 0.073(TiC-coated Mo). Large dependence of the emissivities on temperature and wave length shows that the model including these dependences is necessary for an accurate evaluation of the radiative heat transfer. (author)

  11. Interface morphology of Mo/Si multilayer systems with varying Mo layer thickness studied by EUV diffuse scattering.

    Science.gov (United States)

    Haase, Anton; Soltwisch, Victor; Braun, Stefan; Laubis, Christian; Scholze, Frank

    2017-06-26

    We investigate the influence of the Mo-layer thickness on the EUV reflectance of Mo/Si mirrors with a set of unpolished and interface-polished Mo/Si/C multilayer mirrors. The Mo-layer thickness is varied in the range from 1.7 nm to 3.05 nm. We use a novel combination of specular and diffuse intensity measurements to determine the interface roughness throughout the multilayer stack and do not rely on scanning probe measurements at the surface only. The combination of EUV and X-ray reflectivity measurements and near-normal incidence EUV diffuse scattering allows to reconstruct the Mo layer thicknesses and to determine the interface roughness power spectral density. The data analysis is conducted by applying a matrix method for the specular reflection and the distorted-wave Born approximation for diffuse scattering. We introduce the Markov-chain Monte Carlo method into the field in order to determine the respective confidence intervals for all reconstructed parameters. We unambiguously detect a threshold thickness for Mo in both sample sets where the specular reflectance goes through a local minimum correlated with a distinct increase in diffuse scatter. We attribute that to the known appearance of an amorphous-to-crystallization transition at a certain thickness threshold which is altered in our sample system by the polishing.

  12. Controllable Growth of Monolayer MoS2 and MoSe2 Crystals Using Three-temperature-zone Furnace

    Science.gov (United States)

    Zheng, Binjie; Chen, Yuanfu

    2017-12-01

    Monolayer molybdenum disulfide (MoS2) and molybdenum diselenide (MoSe2) have attracted a great attention for their exceptional electronic and optoelectronic properties among the two dimensional family. However, controllable synthesis of monolayer crystals with high quality needs to be improved urgently. Here we demonstrate a chemical vapor deposition (CVD) growth of monolayer MoS2 and MoSe2 crystals using three-temperature-zone furnace. Systematical study of the effects of growth pressure, temperature and time on the thickness, morphology and grain size of crystals shows the good controllability. The photoluminescence (PL) characterizations indicate that the as-grown monolayer MoS2 and MoSe2 crystals possess excellent optical qualities with very small full-width-half-maximum (FWHM) of 96 me V and 57 me V, respectively. It is comparable to that of exfoliated monolayers and reveals their high crystal quality. It is promising that our strategy should be applicable for the growth of other transition metal dichalcogenides (TMDs) monolayer crystals.

  13. Room-temperature superparamagnetism due to giant magnetic anisotropy in Mo S defected single-layer MoS2

    Science.gov (United States)

    Khan, M. A.; Leuenberger, Michael N.

    2018-04-01

    Room-temperature superparamagnetism due to a large magnetic anisotropy energy (MAE) of a single atom magnet has always been a prerequisite for nanoscale magnetic devices. Realization of two dimensional (2D) materials such as single-layer (SL) MoS2, has provided new platforms for exploring magnetic effects, which is important for both fundamental research and for industrial applications. Here, we use density functional theory (DFT) to show that the antisite defect (Mo S ) in SL MoS2 is magnetic in nature with a magnetic moment μ of  ∼2 μB and, remarkably, exhibits an exceptionally large atomic scale MAE =\\varepsilon\\parallel-\\varepsilon\\perp of  ∼500 meV. Our calculations reveal that this giant anisotropy is the joint effect of strong crystal field and significant spin–orbit coupling (SOC). In addition, the magnetic moment μ can be tuned between 1 μB and 3 μB by varying the Fermi energy \\varepsilonF , which can be achieved either by changing the gate voltage or by chemical doping. We also show that MAE can be raised to  ∼1 eV with n-type doping of the MoS2:Mo S sample. Our systematic investigations deepen our understanding of spin-related phenomena in SL MoS2 and could provide a route to nanoscale spintronic devices.

  14. A modified {sup 99} Mo- {sup 99} Tc generator on Zirconium molybdo- phosphate-{sup 99} Mo gel. Vol. 3

    Energy Technology Data Exchange (ETDEWEB)

    El-Kolaly, M T; Talaat, H [Labelled Compounds Department, Cairo (Egypt); Botros, N [Radioistspe and Generator Department, Radioisotope Production and Sealed Source Division, Hot Laboratories Center, Atomic Energy Authority, Cairo (Egypt)

    1996-03-01

    A modified {sup 99} Mo - {sup 99} Tc gel generator is described. The new generator is based on the use of zirconium molybdophosphate - {sup 99} Mo gel in which {sup 99} Mo chemically combined in the gel structure, where {sup 99m}Tc can be easily eluted with distilled water or saline. The gel was prepared via chemical reaction between zirconyl chloride and molybdophosphate - {sup 99} Mo solution. The PH of the reaction mixture was adjusted with NaOH. Different gels have been prepared by varying the molar ratio of Mo:Zr:p. The PH and time of digeston on complete gel formation was also investigated in order to optimize the condition of gel preparation. Molybdophosphate {sup 32} P solution was used to determine the phosphorous content in the gel and in the {sup 99m}Tc eluate. The temperature and time of drying of the gel and their effect on {sup 99m}Tc elution efficiency were also studied. From the data obtained, the optimum conditions for routine production of {sup 99} Mo - {sup 99m}Tc generator are presented and discussed. 2 figs., 6 tabs.

  15. Plasma-assisted synthesis of MoS2

    Science.gov (United States)

    Campbell, Philip M.; Perini, Christopher J.; Chiu, Johannes; Gupta, Atul; Ray, Hunter S.; Chen, Hang; Wenzel, Kevin; Snyder, Eric; Wagner, Brent K.; Ready, Jud; Vogel, Eric M.

    2018-03-01

    There has been significant interest in transition metal dichalcogenides (TMDs), including MoS2, in recent years due to their potential application in novel electronic and optical devices. While synthesis methods have been developed for large-area films of MoS2, many of these techniques require synthesis temperatures of 800 °C or higher. As a result of the thermal budget, direct synthesis requiring high temperatures is incompatible with many integrated circuit processes as well as flexible substrates. This work explores several methods of plasma-assisted synthesis of MoS2 as a way to lower the synthesis temperature. The first approach used is conversion of a naturally oxidized molybdenum thin film to MoS2 using H2S plasma. Conversion is demonstrated at temperatures as low as 400 °C, and the conversion is enabled by hydrogen radicals which reduce the oxidized molybdenum films. The second method is a vapor phase reaction incorporating thermally evaporated MoO3 exposed to a direct H2S plasma, similar to chemical vapor deposition (CVD) synthesis of MoS2. Synthesis at 400 °C results in formation of super-stoichiometric MoS2 in a beam-interrupted growth process. A final growth method relies on a cyclical process in which a small amount of Mo is sputtered onto the substrate and is subsequently sulfurized in a H2S plasma. Similar results could be realized using an atomic layer deposition (ALD) process to deposit the Mo film. Compared to high temperature synthesis methods, the lower temperature samples are lower quality, potentially due to poor crystallinity or higher defect density in the films. Temperature-dependent conductivity measurements are consistent with hopping conduction in the plasma-assisted synthetic MoS2, suggesting a high degree of disorder in the low-temperature films. Optimization of the plasma-assisted synthesis process for slower growth rate and better stoichiometry is expected to lead to high quality films at low growth temperature.

  16. Separation and purification of 99Mo from uranium and fission products using Cintichem process, our experience

    International Nuclear Information System (INIS)

    Manolkar, R.B.; Mathakar, A.R.; Kumar, Yogendra; Kumar, Manoj; Dash, A.; Venkatesh, Meera; Pillai, K.T.; Singh, Sarbjit; Venugopal, V.

    2009-01-01

    A pilot study was carried out to assess the feasibility of producing 99 Mo by fission of Unat following the Cintichem method. U-Mo alloy was irradiated for one week at Dhruva reactor and processed for the separation of 99 Mo from fission products. The irradiated targets were chemically processed to separate and purify the 99 Mo. Recovery of ∼70% and the purity of 99 Mo was > 99%. (author)

  17. Tetracarbonylbis(η5-cyclopentadienylbis(diphenylphosphinedimolybdenum(Mo—Mo hexane solvate

    Directory of Open Access Journals (Sweden)

    David R. Tyler

    2008-07-01

    Full Text Available The title compound, [Mo2(C5H52(C12H11P2(CO4]·C6H14, is a centrosymmetric Mo complex in which two Mo atoms are connected by an Mo—Mo bond [3.2072 (12 Å]. Each Mo atom is coordinated by an η5-cyclopentadienyl ligand, two carbonyl ligands and a diphenylphosphine ligand in a piano-stool fashion.

  18. Metallic 1T-LixMoS2 Cocatalyst Significantly Enhanced the Photocatalytic H2 Evolution over Cd0.5Zn0.5S Nanocrystals under Visible Light Irradiation.

    Science.gov (United States)

    Du, Hong; Guo, Hong-Li; Liu, Ya-Nan; Xie, Xiao; Liang, Kuang; Zhou, Xiao; Wang, Xin; Xu, An-Wu

    2016-02-17

    In the present work, metallic 1T-LixMoS2 is utilized as a novel cocatalyst for Cd0.5Zn0.5S photocatalyst. The obtained LixMoS2/Cd0.5Zn0.5S hybrids show excellent photocatalytic performance for H2 generation from aqueous solution containing Na2S and Na2SO3 under splitting visible light illumination (λ ≥ 420 nm) without precious metal cocatalysts. It turns out that a certain amount of intercalating Li(+) ions ultimately drives the transition of MoS2 crystal from semiconductor triagonal phase (2H phase) to metallic phase (1T phase). The distinct properties of 1T-LixMoS2 promote the efficient separation of photoexcited electrons and holes when used as cocatalyst for Cd0.5Zn0.5S photocatalyst. As compared to 2H-MoS2 nanosheets only having edge active sites, photoinduced electrons not only transfer to the edge sites of 1T-LixMoS2, but also to the plane active sites of 1T-LixMoS2 nanosheets. The content of LixMoS2 in hybrid photocatalysts influences the photocatalytic activity. The optimal 1T-LixMoS2 (1.0 wt %)/Cd0.5Zn0.5S nanojunctions display the best activity for hydrogen production, achieving a hydrogen evolution rate of 769.9 μmol h(-1), with no use of noble metal loading, which is about 3.5 times higher than that of sole Cd0.5Zn0.5S, and 2 times higher than that of 2H-MoS2 (1.0 wt %)/Cd0.5Zn0.5S samples. Our results demonstrate that Li(+)-intercalated MoS2 nanosheets with high conductivity, high densities of active sites, low cost, and environmental friendliness are a prominent H2 evolution cocatalyst that might substitute for noble metal for potential hydrogen energy applications.

  19. Reactivity of a Carbon-Supported Single-Site Molybdenum Dioxo Catalyst for Biodiesel Synthesis

    Energy Technology Data Exchange (ETDEWEB)

    Mouat, Aidan R.; Lohr, Tracy L.; Wegener, Evan C.; Miller, Jeffrey T.; Delferro, Massimiliano; Stair, Peter C.; Marks, Tobin J.

    2016-08-23

    A single-site molybdenum dioxo catalyst, (Oc)2Mo(=O)2@C, was prepared via direct grafting of MoO2Cl2(dme) (dme = 1,2-dimethoxyethane) on high-surface- area activated carbon. The physicochemical and chemical properties of this catalyst were fully characterized by N2 physisorption, ICP-AES/OES, PXRD, STEM, XPS, XAS, temperature-programmed reduction with H2 (TPR-H2), and temperature-programmed NH3 desorption (TPD-NH3). The single-site nature of the Mo species is corroborated by XPS and TPR-H2 data, and it exhibits the lowest reported MoOx Tmax of reduction reported to date, suggesting a highly reactive MoVI center. (Oc)2Mo(=O)2@C catalyzes the transesterification of a variety of esters and triglycerides with ethanol, exhibiting high activity at moderate temperatures (60-90 °C) and with negligible deactivation. (Oc)2Mo(=O)2@C is resistant to water and can be recycled at least three times with no loss of activity. The transesterification reaction is determined experimentally to be first order in [ethanol] and first order in [Mo] with ΔH = 10.5(8) kcal mol-1 and ΔS = -32(2) eu. The low energy of activation is consistent with the moderate conditions needed to achieve rapid turnover. This highly active carbon-supported single-site molybdenum dioxo species is thus an efficient, robust, and lowcost catalyst with significant potential for transesterification processes.

  20. Synthesis of MoS2 and MoO2 for their applications in H2 generation and lithium ion batteries: a review

    International Nuclear Information System (INIS)

    Zhao Yufei; Zhang Yuxia; Yang Zhiyu; Yan Yiming; Sun Kening

    2013-01-01

    Scientists increasingly witness the applications of MoS 2 and MoO 2 in the field of energy conversion and energy storage. On the one hand, MoS 2 and MoO 2 have been widely utilized as promising catalysts for electrocatalytic or photocatalytic hydrogen evolution in aqueous solution. On the other hand, MoS 2 and MoO 2 have also been verified as efficient electrode material for lithium ion batteries. In this review, the synthesis, structure and properties of MoS 2 and MoO 2 are briefly summarized according to their applications for H 2 generation and lithium ion batteries. Firstly, we overview the recent advancements in the morphology control of MoS 2 and MoO 2 and their applications as electrocatalysts for hydrogen evolution reactions. Secondly, we focus on the photo-induced water splitting for H 2 generation, in which MoS 2 acts as an important co-catalyst when combined with other semiconductor catalysts. The newly reported research results of the significant functions of MoS 2 nanocomposites in photo-induced water splitting are presented. Thirdly, we introduce the advantages of MoS 2 and MoO 2 for their enhanced cyclic performance and high capacity as electrode materials of lithium ion batteries. Recent key achievements in MoS 2 - and MoO 2 -based lithium ion batteries are highlighted. Finally, we discuss the future scope and the important challenges emerging from these fascinating materials. (review)

  1. XPS study of organic/MoO3 hybrid thin films for aldehyde gas sensors. Correlation between average Mo valance and sensitivity

    International Nuclear Information System (INIS)

    Itoh, Toshio; Matsubara, Ichiro; Shin, Woosuck; Izu, Noriya; Nishibori, Maiko

    2010-01-01

    We investigate the formaldehyde gas sensing properties of poly(5,6,7,8-tetrahydro-1-naphthylamine)-intercalated MoO 3 thin films ((PTHNA) x MoO 3 ). The resistance responses of (PTHNA) x MoO 3 to formaldehyde increase with increasing intercalation temperature. X-ray photoelectron spectroscopy reveals that the molar ratio of Mo 5+ decreases with increasing intercalation temperature. (author)

  2. Structurally Deformed MoS2 for Electrochemically Stable, Thermally Resistant, and Highly Efficient Hydrogen Evolution Reaction

    KAUST Repository

    Chen, Yen-Chang; Lu, Ang-Yu; Lu, Ping; Yang, Xiulin; Jiang, Chang-Ming; Mariano, Marina; Kaehr, Brian; Lin, Oliver; Taylor, André ; Sharp, Ian D.; Li, Lain-Jong; Chou, Stanley S.; Tung, Vincent

    2017-01-01

    The emerging molybdenum disulfide (MoS2) offers intriguing possibilities for realizing a transformative new catalyst for driving the hydrogen evolution reaction (HER). However, the trade-off between catalytic activity and long-term stability represents a formidable challenge and has not been extensively addressed. This study reports that metastable and temperature-sensitive chemically exfoliated MoS2 (ce-MoS2) can be made into electrochemically stable (5000 cycles), and thermally robust (300 °C) while maintaining synthetic scalability and excellent catalytic activity through physical-transformation into 3D structurally deformed nanostructures. The dimensional transition enabled by a high throughput electrohydrodynamic process provides highly accessible, and electrochemically active surface area and facilitates efficient transport across various interfaces. Meanwhile, the hierarchically strained morphology is found to improve electronic coupling between active sites and current collecting substrates without the need for selective engineering the electronically heterogeneous interfaces. Specifically, the synergistic combination of high strain load stemmed from capillarity-induced-self-crumpling and sulfur (S) vacancies intrinsic to chemical exfoliation enables simultaneous modulation of active site density and intrinsic HER activity regardless of continuous operation or elevated temperature. These results provide new insights into how catalytic activity, electrochemical-, and thermal stability can be concurrently enhanced through the physical transformation that is reminiscent of nature, in which properties of biological materials emerge from evolved dimensional transitions.

  3. Structurally Deformed MoS2 for Electrochemically Stable, Thermally Resistant, and Highly Efficient Hydrogen Evolution Reaction

    KAUST Repository

    Chen, Yen-Chang

    2017-10-12

    The emerging molybdenum disulfide (MoS2) offers intriguing possibilities for realizing a transformative new catalyst for driving the hydrogen evolution reaction (HER). However, the trade-off between catalytic activity and long-term stability represents a formidable challenge and has not been extensively addressed. This study reports that metastable and temperature-sensitive chemically exfoliated MoS2 (ce-MoS2) can be made into electrochemically stable (5000 cycles), and thermally robust (300 °C) while maintaining synthetic scalability and excellent catalytic activity through physical-transformation into 3D structurally deformed nanostructures. The dimensional transition enabled by a high throughput electrohydrodynamic process provides highly accessible, and electrochemically active surface area and facilitates efficient transport across various interfaces. Meanwhile, the hierarchically strained morphology is found to improve electronic coupling between active sites and current collecting substrates without the need for selective engineering the electronically heterogeneous interfaces. Specifically, the synergistic combination of high strain load stemmed from capillarity-induced-self-crumpling and sulfur (S) vacancies intrinsic to chemical exfoliation enables simultaneous modulation of active site density and intrinsic HER activity regardless of continuous operation or elevated temperature. These results provide new insights into how catalytic activity, electrochemical-, and thermal stability can be concurrently enhanced through the physical transformation that is reminiscent of nature, in which properties of biological materials emerge from evolved dimensional transitions.

  4. Coated U(Mo) Fuel: As-Fabricated Microstructures

    Energy Technology Data Exchange (ETDEWEB)

    Emmanuel Perez; Dennis D. Keiser, Jr.; Ann Leenaers; Sven Van den Berghe; Tom Wiencek

    2014-04-01

    As part of the development of low-enriched uranium fuels, fuel plates have recently been tested in the BR-2 reactor as part of the SELENIUM experiment. These fuel plates contained fuel particles with either Si or ZrN thin film coating (up to 1 µm thickness) around the U-7Mo fuel particles. In order to best understand irradiation performance, it is important to determine the starting microstructure that can be observed in as-fabricated fuel plates. To this end, detailed microstructural characterization was performed on ZrN and Si-coated U-7Mo powder in samples taken from AA6061-clad fuel plates fabricated at 500°C. Of interest was the condition of the thin film coatings after fabrication at a relatively high temperature. Both scanning electron microscopy and transmission electron microscopy were employed. The ZrN thin film coating was observed to consist of columns comprised of very fine ZrN grains. Relatively large amounts of porosity could be found in some areas of the thin film, along with an enrichment of oxygen around each of the the ZrN columns. In the case of the pure Si thin film coating sample, a (U,Mo,Al,Si) interaction layer was observed around the U-7Mo particles. Apparently, the Si reacted with the U-7Mo and Al matrix during fuel plate fabrication at 500°C to form this layer. The microstructure of the formed layer is very similar to those that form in U-7Mo versus Al-Si alloy diffusion couples annealed at higher temperatures and as-fabricated U-7Mo dispersion fuel plates with Al-Si alloy matrix fabricated at 500°C.

  5. Biofuel Production from Jatropha Bio-Oil Derived Fast Pyrolysis: Effect and Mechanism of CoMoS Supported on Al2O3

    Science.gov (United States)

    Rodseanglung, T.; Ratana, T.; Phongaksorn, M.; Tungkamani, S.

    2018-03-01

    The aims of this research was to understand the CoMo/Al2O3 sulfide catalyst effect to remove oxygen-containing and nitrogen-containing molecules from Jatropha bio-oil derived fast pyrolysis converted to biofuels via hydrotreating process. The activity and selectivity of CoMo/γ-Al2O3 sulfided catalysts in hydrodeoxygenation (HDO) of Jatropha bio-oil derived fast pyrolysis was evaluated in a Parr batch reactor under 50 bar of H2 atmosphere for 2 h at 300 320 and 340 °C. It appeared that the CoMo/Al2O3 sulfide catalyst have high performance in activity for promoting the fatty acid, fatty ester, fatty amide and fatty nitrile compounds were converted to paraffin/olefin (Diesel range), this could be the CUS site on supported Al2O3 catalyst. The difference in selectivity products allowed us to propose a reaction scheme.

  6. Chevrel-phase solid solution Mo 6Se 8- xTe x. Study of its superconducting, magnetic and NMR properties

    Science.gov (United States)

    Hamard1a, C.; Auffret, V.; Peña, O.; Le Floch, M.; Nowak, B.; Wojakowski, A.

    2000-09-01

    The Chevrel-phase solid solution Mo 6Se 8-Mo 6Te 8 was studied by X-ray diffraction, AC and DC magnetic susceptibility and 77Se and 125Te NMR spectroscopy. From the smooth evolution of the lattice parameters and superconducting critical temperatures, a progressive substitution of selenium atoms by tellurium is shown, on the whole range of composition 0⩽ x⩽8, in the formulation Mo 6Se 8- xTe x: the unit-cell volume increases linearly because of the larger ionic size of tellurium, while Tc decreases rapidly (from 6.45 down to 0 K) because of the different formal oxidation states of the anions and a probable evolution of the Fermi level in the density of states. Results of magnetic susceptibility support this model and suggest the inhibition of the intrinsic metallic behavior with increasing x. The NMR spectra of the binaries Mo 6Se 8 and Mo 6Te 8 reveal two significant features, attributed to two different chalcogen positions in the R 3¯ symmetry. At low Se contents in Mo 6Se 8- xTe x ( x=7.5, 7 and 6), selenium first fills the two X(2) sites along the three-fold axis (2c positions), and then it becomes statistically distributed over the general 6f positions, leading to broad 77Se NMR lines. On the other hand, substitution of Te atoms in Mo 6Se 8 seems to occur in a random way, creating large perturbations on the 125Te NMR spectra, over the whole range of x. Theoretical analysis based on the presence of two anisotropic lines (of axial and non-axial symmetries, respectively) allowed us to estimate their anisotropy factors and to perfectly simulate the frequency response of both Mo 6Se 8 and Mo 6Te 8 binaries. Analysis of the Knight shift anisotropy leads us to conclude about the importance of the molybdenum z 2 molecular orbital contribution which controls the Mo-X dipolar interactions.

  7. In search of zero thermal expansion anisotropy in Mo{sub 5}Si{sub 3} by strategic alloying

    Energy Technology Data Exchange (ETDEWEB)

    Dharmawardhana, C.C., E-mail: ccdxz8@mail.umkc.edu; Sakidja, R., E-mail: sakidjar@umkc.edu; Aryal, S.; Ching, W.Y.

    2015-01-25

    Highlights: • For the first time, theoretical prediction of achieving isotropic thermal expansion anisotropy (TEA) for T1 phase Mo{sub 5}Si{sub 3} by alloying with a mere 17.5% Al substitution on the Si sites. Most effective alloying proposed for the said system up to date. • The theoretical approach is verified by simulating the experimentally observed unusual TEA behaviour for (Mo,V){sub 5}Si{sub 3} alloys as a function of percent alloying. • The 2nd order and 3rd order elastic constants we explain the origin of the TEA in T1 phase for Mo{sub 5}Si{sub 3} system and how Al effect in reducing the TEA. • We use directional dependent phonon density of state, a novel approach, to identify the origin of the anisotropy and show this method of analysis could be used for other intermetallic alloys as well. - Abstract: Reducing the thermal expansion anisotropy (TEA) of alloy compounds is one of the most important issues for their potential applications in high temperature environment. The Mo{sub 5}Si{sub 3} (T1 phase) is known to be an important intermetallic compound with high melting temperature. Unfortunately, its large TEA renders it unsuitable for high temperature structural/coating applications. Many attempts have been made in the past to reduce TEA by substituting Mo by other transition metal ions such as V with little success and some unexpected observations. Here we use accurate ab initio molecular dynamics (AIMD) simulations to obtain the TEA from thermal expansion coefficients for two T1 phase alloy systems (Mo,V){sub 5}Si{sub 3} and Mo{sub 5}(Si,Al){sub 3}. We demonstrate that strategic alloying with Al substituting Si can achieve zero TEA for T1 phase. The microscopic origin of this outstanding thermomechanical properties in this alloy is explained by the calculation of higher order elastic constants in conjunction with atom and direction-resolved phonon density of states.

  8. Phase relations in the systems M2MoO4-Cr2(MoO4)3-Zr(MoO4)2 (M=Li, Na, or Rb)

    International Nuclear Information System (INIS)

    Bazarov, B.G.; Chimitova, O.D.; Bazarova, Ts.T.; Arkhincheeva, S.I.; Bazarova, Zh.G.

    2008-01-01

    Phase equilibria in the systems M 2 MoO 4 -Cr 2 (MoO 4 ) 3 -Zr(MoO 4 ) 2 (M=Li, Na, or Rb) were investigated by X-ray powder diffraction analysis, DTA, and IR spectroscopy. The subsolidus structure of the phase diagrams of the systems under study was established. Two phases are formed in the Rb 2 MoO 4 -Cr 2 (MoO 4 ) 3 -Zr(MoO 4 ) 2 system with the molar ratios of the starting components equal to 5:1:1 (S 2 ) and 1:1:1 (S 1 ). Proceeding from isostructural character of Rb 5 FeHf(MoO 4 ) 6 and S 2 , the unit cell parameters are determined for S 2 [ru

  9. Porous Hybrid Composites of Few-Layer MoS2 Nanosheets Embedded in a Carbon Matrix with an Excellent Supercapacitor Electrode Performance.

    Science.gov (United States)

    Ji, Hongmei; Liu, Chao; Wang, Ting; Chen, Jing; Mao, Zhengning; Zhao, Jin; Hou, Wenhua; Yang, Gang

    2015-12-22

    Porous hierarchical architectures of few-layer MoS2 nanosheets dispersed in carbon matrix are prepared by a microwave-hydrothermal method followed by annealing treatment via using glucose as C source and structure-directing agent and (NH4 )2 MoS4 as both Mo and S sources. It is found that the morphology and size of the secondary building units (SBUs), the size and layer number of MoS2 nanosheets as well as the distribution of MoS2 nanosheets in carbon matrix, can be effectively controlled by simply adjusting the molar ratio of (NH4 )2 MoS4 to glucose, leading to the materials with a low charge-transfer resistance, many electrochemical active sites and a robust structure for an outstanding energy storage performance including a high specific capacitance (589 F g(-1) at 0.5 A g(-1) ), a good rate capability (364 F g(-1) at 20 A g(-1) ), and an excellent cycling stability (retention 104% after 2000 cycles) for application in supercapacitors. The exceptional rate capability endows the electrode with a high energy density of 72.7 Wh kg(-1) and a high power density of 12.0 kW kg(-1) simultaneously. This work presents a facile and scalable approach for synthesizing novel heterostructures of MoS2 -based electrode materials with an enhanced rate capability and cyclability for potential application in supercapacitor. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  10. Self-assembly of hollow MoS{sub 2} microflakes by one-pot hydrothermal synthesis for efficient electrocatalytic hydrogen evolution

    Energy Technology Data Exchange (ETDEWEB)

    Chen, Aishi; Cui, Renjie; He, Yanna; Wang, Qi [Key Laboratory for Organic Electronics and Information Displays & Institute of Advanced Materials (IAM), Jiangsu National Synergetic Innovation Center for Advanced Materials (SICAM), Nanjing University of Posts & Telecommunications, Nanjing 210023 (China); Zhang, Jian, E-mail: iamjzhang@njupt.edu.cn [Key Laboratory for Organic Electronics and Information Displays & Institute of Advanced Materials (IAM), Jiangsu National Synergetic Innovation Center for Advanced Materials (SICAM), Nanjing University of Posts & Telecommunications, Nanjing 210023 (China); Yang, Jianping [School of Science, Nanjing University of Posts and Telecommunications (NUPT), Nanjing 210023 (China); Li, Xing’ao, E-mail: lxahbmy@126.com [Key Laboratory for Organic Electronics and Information Displays & Institute of Advanced Materials (IAM), Jiangsu National Synergetic Innovation Center for Advanced Materials (SICAM), Nanjing University of Posts & Telecommunications, Nanjing 210023 (China); School of Science, Nanjing University of Posts and Telecommunications (NUPT), Nanjing 210023 (China)

    2017-07-31

    Highlights: • A new hollow MoS{sub 2} microflakes are prepared by hydrothermal synthesis firstly. • SEM and TEM study show the structural nature of hollow microflakes in depth. • The unique hollow structures have large surface area owing to the cavity. • The hollow microflakes show better HER performance than their solid counterparts. - Abstract: Molybdenum disulfide (MoS{sub 2}) has emerged as a promising non-precious metal catalyst for hydrogen evolution reaction (HER) in recent years. Some strategies including nanotechnology as well as atom doping have been employed in the preparing of electrocatalysts for high-activity and stability. To the best of our knowledge, hollow MoS{sub 2} microflakes assembled from ultrathin nanosheets have not been prepared previously. In this work, a simple, facile and environmentally friendly hydrothermal synthesis was utilized for the fabrication of hollow MoS{sub 2} microflakes for the first time. The unique hollow structures have fascinating properties, such as the large surface and low density. The morphology and structure of MoS{sub 2} microflakes were confirmed by XRD, SEM, TEM and Raman. The composition of these materials was identified by the X-ray photoelectron spectroscopy. Notably, the as-prepared hollow MoS{sub 2} microflakes showed better electrocatalytic activity than other samples. The hollow flake-like structure can not only increase the active edge sites owing to the large specific surface area, but also enhance the electron transport to improve the electrocatalytic activity. Benefiting from these factors, the hollow MoS{sub 2} microflakes exhibited electrocatalytic activity and excellent stability with a low overpotential about 85 mV and a Tafel slope of 59 mV per decade.

  11. Structures of Bi14WO24 and Bi14MoO24 from neutron powder diffraction data

    International Nuclear Information System (INIS)

    Ling, C.D.; Withers, R.L.; Thompson, J.G.; Schmid, S.

    1999-01-01

    The (isomorphous) structures of Bi 14 WO 24 , tetradecabismuth tungsten tetracosaoxide, and Bi 14 MoO 24 , tetradecabismuth molybdenum tetracosaoxide, have been solved and refined using neutron powder diffraction data in the space group I4/m. The metal-atom array is fully ordered in terms of composition, and in terms of atomic positions deviates only slightly from a fluorite-type δ-Bi 2 O 3 -related parent structure. Three independent O-atom sites (accounting for 70 out of 78 O atoms in the unit cell) are also very close to fluorite-type parent positions. The remaining two O-atom sites, which coordinate W, exhibit partial occupancies and displacive disorder, neither of which could be better modelled by lowering of symmetry. The W site is coordinated by four O atoms in highly distorted tetrahedral coordination, the tetrahedron necessarily being orientationally disordered on that site. Nonetheless, the structure appears to be chemically reasonable. (orig.)

  12. Intense luminescence emission from rare-earth-doped MoO3 nanoplates and lamellar crystals for optoelectronic applications

    International Nuclear Information System (INIS)

    Vila, M; Díaz-Guerra, C; Jerez, D; Piqueras, J; Lorenz, K; Alves, E

    2014-01-01

    Strong and stable room-temperature photoluminescence (PL) emission is achieved in MoO 3 nanoplates and lamellar crystals doped with Er and Eu by ion implantation and subsequent annealing. Micro-Raman and PL spectroscopy reveal that optical activation of the rare earth ions and recovery of the original MoO 3 structure are achieved for shorter annealing treatments and for lower temperatures in nanoplates, as compared with lamellar crystals. Er seems to be more readily incorporated into optically active sites in the oxide lattice than Eu. The influence of the dimensionality of the host sample on the characteristics of the PL emission of both rare earth dopants is addressed. (paper)

  13. Lessons From the Implementation of Mo-Buzz, a Mobile Pandemic Surveillance System for Dengue.

    Science.gov (United States)

    Lwin, May Oo; Jayasundar, Karthikayen; Sheldenkar, Anita; Wijayamuni, Ruwan; Wimalaratne, Prasad; Ernst, Kacey C; Foo, Schubert

    2017-10-02

    Approximately 128 countries and 3.9 billion people are at risk of dengue infection. Incidence of dengue has increased over the past decades, becoming a growing public health concern for countries with populations that are increasingly susceptible to this vector-borne disease, such as Sri Lanka. Almost 55,150 dengue cases were reported in Sri Lanka in 2016, with more than 30.40% of cases (n=16,767) originating from Colombo, which struggles with an outdated manual paper-based dengue outbreak management system. Community education and outreach about dengue are also executed using paper-based media channels such as pamphlets and brochures. Yet, Sri Lanka is one of the countries with the most affordable rates of mobile services in the world, with penetration rates higher than most developing countries. To combat the issues of an exhausted dengue management system and to make use of new technology, in 2015, a mobile participatory system for dengue surveillance called Mo-Buzz was developed and launched in Colombo, Sri Lanka. This paper describes the system's components and uptake, along with other similar disease surveillance systems. We developed Mo-Buzz and tested its feasibility for dengue. Two versions of the app were developed. The first was for use by public health inspectors (PHIs) to digitize form filling and recording of site visit information, and track dengue outbreaks on a real-time dengue hotspot map using the global positioning system technology. The system also provides updated dengue infographics and educational materials for the PHIs to educate the general public. The second version of Mo-Buzz was created for use by the general public. This system uses dynamic mapping to help educate and inform the general public about potential outbreak regions and allow them to report dengue symptoms and post pictures of potential dengue mosquito-breeding sites, which are automatically sent to the health authorities. Targeted alerts can be sent to users depending on

  14. Interaction of Al with O2 exposed Mo2BC

    International Nuclear Information System (INIS)

    Bolvardi, Hamid; Music, Denis; Schneider, Jochen M.

    2015-01-01

    Highlights: • Al adheres to many surfaces. • Solid–solid interactions challenging for real (oxidized) surfaces. • Dissociative O 2 adsorption on Mo 2 BC(0 4 0). • Al nonamer is disrupted on oxidized Mo 2 BC(0 4 0). • Adhesion of a residual Al on the native oxide. - Abstract: A Mo 2 BC(0 4 0) surface was exposed to O 2 . The gas interaction was investigated using ab initio molecular dynamics and X-ray photoelectron spectroscopy (XPS) of air exposed surfaces. The calculations suggest that the most dominating physical mechanism is dissociative O 2 adsorption whereby Mo−O, O−Mo−O and Mo 2 −C−O bond formation is observed. To validate these results, Mo 2 BC thin films were synthesized utilizing high power pulsed magnetron sputtering and air exposed surfaces were probed by XPS. MoO 2 and MoO 3 bond formation is observed and is consistent with here obtained ab initio data. Additionally, the interfacial interactions of O 2 exposed Mo 2 BC(0 4 0) surface with an Al nonamer is studied with ab initio molecular dynamics to describe on the atomic scale the interaction between this surface and Al to mimic the interface present during cold forming processes of Al based alloys. The Al nonamer was disrupted and Al forms chemical bonds with oxygen contained in the O 2 exposed Mo 2 BC(0 4 0) surface. Based on the comparison of here calculated adsorption energy with literature data, Al−Al bonds are shown to be significantly weaker than the Al−O bonds formed across the interface. Hence, Al−Al bond rupture is expected for a mechanically loaded interface. Therefore the adhesion of a residual Al on the native oxide layer is predicted. This is consistent with experimental observations. The data presented here may also be relevant for other oxygen containing surfaces in a contact with Al or Al based alloys for example during forming operations

  15. Neutron diffraction study on the crystal and magnetic structures of arc-melted PrFe10.5Mo1.1C0.4 alloy

    International Nuclear Information System (INIS)

    Du Honglin; Xue Yanjie; Zhang Baisheng; Mao Weihua; Yang Jinbo; Cheng Benpei; Yang Yingchang

    1999-01-01

    The crystal and magnetic structures, especially the site occupation of C atoms in the crystal cell of arc-melted PrFe 10.5 Mo 1.1 C 0.4 permanent magnetic alloy have been determined by means of powder neutron diffraction study. Rietveld analysis of the neutron diffraction data indicates that Mo atoms prefers the 8i site, about 76 percent of the C atoms occupy the 8i substitution site, and the other part of C atoms enter the 2b interstitial site. The exact molecular formula should be Pr(Fe 10.575 Mo 1.250 C 0.1.75 C 0.055 . It seems that the site occupation of C atoms in the ThMn 12 -type carbides depends not only on the kind of substitutional transition metals, but also on the components of the substitutional transition metals in the compounds. There are still amount of work to make systematic studies on the relation between them. The effect of C atoms on the magnetic properties is also discussed. (author)

  16. Resonant photoelectron spectroscopy at the Mo 4p→4d absorption edge in MoS2

    International Nuclear Information System (INIS)

    Lince, J.R.; Didziulis, S.V.; Yarmoff, J.A.

    1991-01-01

    A systematic study has been conducted of the resonant behavior of the valence-band photoelectron spectrum of MoS 2 for hν=26--70 eV, spanning the Mo 4p→4d transition region. A broad Fano-like resonance appears at ∼42 eV in the constant-initial-state (CIS) intensity plot of the d z 2 peak near the valence-band maximum [∼2 eV binding energy (BE)], confirming its predominantly Mo 4d character. A second shoulder on the higher-hν side of the maximum in the d z 2 CIS intensity plot is suggested to result from transitions to unoccupied states in the 5sp band ∼10 eV above E F , by comparison with a partial-yield spectrum and previous inverse-photoemission data. The region of the valence band in the range 3--4.5-eV BE also exhibits resonant behavior, indicating Mo 4d character, although somewhat less than for the d z 2 peak. The 5--7-eV BE range does not exhibit resonance behavior at the Mo 4p edge and, therefore, contains negligible Mo 4d character. A feature at ∼30 eV in the CIS intensity plot for the 5--7-eV BE range could not be definitively assigned in this study, but may be due to a resonance between direct photoemission and a process involving absorption and autoionization of electronic states that contain Mo 5s and 5p character

  17. Electrical characteristics of multilayer MoS2 FET's with MoS2/graphene heterojunction contacts.

    Science.gov (United States)

    Kwak, Joon Young; Hwang, Jeonghyun; Calderon, Brian; Alsalman, Hussain; Munoz, Nini; Schutter, Brian; Spencer, Michael G

    2014-08-13

    The electrical properties of multilayer MoS2/graphene heterojunction transistors are investigated. Temperature-dependent I-V measurements indicate the concentration of unintentional donors in exfoliated MoS2 to be 3.57 × 10(11) cm(-2), while the ionized donor concentration is determined as 3.61 × 10(10) cm(-2). The temperature-dependent measurements also reveal two dominant donor levels, one at 0.27 eV below the conduction band and another located at 0.05 eV below the conduction band. The I-V characteristics are asymmetric with drain bias voltage and dependent on the junction used for the source or drain contact. I-V characteristics of the device are consistent with a long channel one-dimensional field-effect transistor model with Schottky contact. Utilizing devices, which have both graphene/MoS2 and Ti/MoS2 contacts, the Schottky barrier heights of both interfaces are measured. The charge transport mechanism in both junctions was determined to be either thermionic-field emission or field emission depending on bias voltage and temperature. On the basis of a thermionic field emission model, the barrier height at the graphene/MoS2 interface was determined to be 0.23 eV, while the barrier height at the Ti/MoS2 interface was 0.40 eV. The value of Ti/MoS2 barrier is higher than previously reported values, which did not include the effects of thermionic field emission.

  18. Cyclic tensile response of Mo-27 at% Re and Mo-0.3 at% Si solid solution alloys

    Energy Technology Data Exchange (ETDEWEB)

    Yu, X.J.; Kumar, K.S., E-mail: Sharvan_Kumar@brown.edu

    2016-10-31

    Stress-controlled uniaxial cyclic tensile tests were conducted on binary Mo-27 at% Re and Mo-0.3 at% Si solid solutions as a function of temperature and compared against the previously reported cyclic response of pure Mo. The Mo-27 at% Re alloy with a recrystallized grain size of ~30 µm was evaluated in the temperature range 25 °C–800 °C at R=0.1 and stress range that was 80% of the ultimate tensile strength (UTS); a peak in fatigue life was observed between 300 °C and 500 °C. The decrease in fatigue life at the higher temperatures of 700 °C and 800 °C is attributed to dynamic strain aging. Transmission electron microscopy of the cyclically-deformed alloy revealed parallel bands of dislocation at room temperature that transitioned to a uniform cell structure at 500 °C and back to orthogonal planar arrays at 800 °C. The as-extruded Mo-0.3 at% Si alloy was evaluated from 25 °C to 1200 °C and showed superior fatigue life and ratcheting strain resistance as compared to pure Mo and the Mo-27 at% Re alloy (within the temperature range where data were available for comparison). The superior resistance is attributed to the high density of dislocations within the material in this mostly unrecrystallized state rather than Si in solid solution. Above 800 °C, the ratcheting strain increases and fatigue life decreases rapidly with increasing temperature and is associated with dynamic recovery.

  19. On-stack two-dimensional conversion of MoS2 into MoO3

    Science.gov (United States)

    Yeoung Ko, Taeg; Jeong, Areum; Kim, Wontaek; Lee, Jinhwan; Kim, Youngchan; Lee, Jung Eun; Ryu, Gyeong Hee; Park, Kwanghee; Kim, Dogyeong; Lee, Zonghoon; Lee, Min Hyung; Lee, Changgu; Ryu, Sunmin

    2017-03-01

    Chemical transformation of existing two-dimensional (2D) materials can be crucial in further expanding the 2D crystal palette required to realize various functional heterostructures. In this work, we demonstrate a 2D ‘on-stack’ chemical conversion of single-layer crystalline MoS2 into MoO3 with a precise layer control that enables truly 2D MoO3 and MoO3/MoS2 heterostructures. To minimize perturbation of the 2D morphology, a nonthermal oxidation using O2 plasma was employed. The early stage of the reaction was characterized by a defect-induced Raman peak, drastic quenching of photoluminescence (PL) signals and sub-nm protrusions in atomic force microscopy images. As the reaction proceeded from the uppermost layer to the buried layers, PL and optical second harmonic generation signals showed characteristic modulations revealing a layer-by-layer conversion. The plasma-generated 2D oxides, confirmed as MoO3 by x-ray photoelectron spectroscopy, were found to be amorphous but extremely flat with a surface roughness of 0.18 nm, comparable to that of 1L MoS2. The rate of oxidation quantified by Raman spectroscopy decreased very rapidly for buried sulfide layers due to protection by the surface 2D oxides, exhibiting a pseudo-self-limiting behavior. As exemplified in this work, various on-stack chemical transformations can be applied to other 2D materials in forming otherwise unobtainable materials and complex heterostructures, thus expanding the palette of 2D material building blocks.

  20. Preparation and characterization of sintered Mo-Re alloys

    International Nuclear Information System (INIS)

    Morito, F.

    1993-01-01

    By the method of powder metallurgy, we have tried to fabricate Mo-Re alloys, which were electron beam weldable. Severe quality control was carried out during the whole fabrication process focused to reducing oxygen contamination. It is inevitable that the starting raw powders of Mo and Re were both high purity with 99.99 mass% up. Moreover, high vacuum sintering was performed before final sintering with high-purity hydrogen gas. As a result, we obtained electron beam weldable Mo-Re alloys, the total oxygen content of which was about 10 mass ppm or less, respectively. Several specimens were melted by electron beam welding (EBW) method. It was found that EBW gives an easy and effective survey to examine the weldability and the quality of the materials. Fracture surfaces examined by AES exhibited very low content of oxygen, carbon and nitrogen or that less than detectability limit. In conclusion, we have succeeded to obtain defect-free welds of sintered Mo-Re alloys. Furthermore it was found that Mo-Re alloys showed excellent potentialities not only in mechanical properties at low temperature but also in the respects of microstructure. (orig.)

  1. Atomic oxygen-MoS sub 2 chemical interactions

    Energy Technology Data Exchange (ETDEWEB)

    Cross, J.B.; Martin, J.A. (Los Alamos National Lab., NM (USA)); Pope, L.E. (Sandia National Labs., Albuquerque, NM (USA)); Koontz, S.L. (National Aeronautics and Space Administration, Johnson Space Center, Houston, TX (USA))

    1990-10-01

    The present study shows that an O-atom translation energy of 1.5 eV, SO{sub 2} is generated and outgases from an anhydrous MoS{sub 2} surface with an initial reactivity nearly 50% that of kapton. The reaction of atomic oxygen with MoS{sub 2} has little or no translational energy barrier, i.e. thermally generated atomic oxygen reacts as readily as that having 1.5 eV of translational energy. For MoS{sub 2} films sputter-deposited at 50-70deg C, friction measurements showed a high initial friction coefficient (up to 0.25) for MoS{sub 2} surfaces exposed to atomic oxygen, which dropped to the normal low values after several cycles of operation in air and ultrahigh vacuum. For MoS{sub 2} films deposited at 200deg C, the friction coefficient was not affected by the O-atom exposure. (orig.).

  2. Proton-fission for the accelerator production of Mo-99

    International Nuclear Information System (INIS)

    Lagunas-Solar, M.C.; Jungerman, J.A.; Castaneda, C.M.

    1993-01-01

    The production of Mo-99 (66.0 h) via de U-238(p,f) Mo-99 fission reaction is proposed as a non-reactor source of this essential precursor of 6.6-h Tc-99m, an isotope of wide use of diagnostic nuclear medicine applications. Measurements of the total excitation function for the U-238(p,f) reaction indicated a maximum and fairly constant cross section of 1.4 barns at > 30 MeV. Combining the advances of high-current (mA) H-accelerators with dual beam (dual target) operation, and assuming a 5% fission yield, estimates of Mo-99 reaches 5 to 14 Ci/h at 1 mA. The proton fission production of Mo-99 appears to more advantageous than the reactor produced via evaporation neutron-induced fission. An accelerator method could allow securing ample supply of Mo-99 independently of the current scarce reactor operation, while also simplifying the associated waste management problems as well as some of the environmental concerns

  3. Internet application: production-technical information system MoNET

    International Nuclear Information System (INIS)

    Tomiga, J.

    2004-01-01

    MoNET is the production-technical information system supporting engineering, operational and maintenance processes of distribution network administrator. It utilizes the model of distribution network that is situated in the geo-space relational database. The geo-space database represents an information base of operational-technical processes. It contains elements and equipment s of the distribution network, failures, operational events, maintenance records, but also, parcels, reference planimetry, e.g. and other subjects for which is relevant the positional datum - geo-space information. MoNET is typically exploited in the fields: - evidence of the subjects and equipment of network, technical documentation; - property administration; - planning of network development, support of designing and construction; - technical calculation; - breakdown controller centre; - maintenance management. MoNET can be implemented as the desktop application, however its first benefit is derived from its usage as the intranet application MoNET WEB for the whole enterprise or organisation. This version enables an unrestricted number of end-users to enter this system. The end-users don't need any special software to enter the data of MoNet WEB application, the pre-installed Internet Explorer will do. (author)

  4. Nonlinear optical characteristics of monolayer MoSe{sub 2}

    Energy Technology Data Exchange (ETDEWEB)

    Le, Chinh Tam; Ullah, Farman; Senthilkumar, Velusamy; Kim, Yong Soo [Department of Physics and Energy Harvest Storage Research Center, University of Ulsan (Korea, Republic of); Clark, Daniel J.; Jang, Joon I. [Department of Physics, Applied Physics and Astronomy, Binghamton University, Binghamton, NY (United States); Sim, Yumin; Seong, Maeng-Je [Department of Physics, Chung-Ang University, Seoul (Korea, Republic of); Chung, Koo-Hyun [School of Mechanical Engineering, University of Ulsan (Korea, Republic of); Park, Hyoyeol [Electronics, Communication and Semiconductor Applications Department, Ulsan College (Korea, Republic of)

    2016-08-15

    In this study, we utilized picosecond pulses from an Nd:YAG laser to investigate the nonlinear optical characteristics of monolayer MoSe{sub 2}. Two-step growth involving the selenization of pulsed-laser-deposited MoO{sub 3} film was employed to yield the MoSe{sub 2} monolayer on a SiO{sub 2}/Si substrate. Raman scattering, photoluminescence (PL) spectroscopy, and atomic force microscopy verified the high optical quality of the monolayer. The second-order susceptibility χ{sup (2)} was calculated to be ∝50 pm V{sup -1} at the second harmonic wavelength λ{sub SHG} ∝810 nm, which is near the optical gap of the monolayer. Interestingly, our wavelength-dependent second harmonic scan can identify the bound excitonic states including negatively charged excitons much more efficiently, compared with the PL method at room temperature. Additionally, the MoSe{sub 2} monolayer exhibits a strong laser-induced damage threshold ∝16 GW cm{sup -2} under picosecond-pulse excitation{sub .} Our findings suggest that monolayer MoSe{sub 2} can be considered as a promising candidate for high-power, thin-film-based nonlinear optical devices and applications. (copyright 2016 by WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  5. Two-dimensional MoS2 electromechanical actuators

    Science.gov (United States)

    Hung, Nguyen T.; Nugraha, Ahmad R. T.; Saito, Riichiro

    2018-02-01

    We investigate the electromechanical properties of two-dimensional MoS2 monolayers with 1H, 1T, and 1T‧ structures as a function of charge doping by using density functional theory. We find isotropic elastic moduli in the 1H and 1T structures, while the 1T‧ structure exhibits an anisotropic elastic modulus. Moreover, the 1T structure is shown to have a negative Poisson’s ratio, while Poisson’s ratios of the 1H and 1T‧ are positive. By charge doping, the monolayer MoS2 shows a reversible strain and work density per cycle ranging from  -0.68% to 2.67% and from 4.4 to 36.9 MJ m-3, respectively, making them suitable for applications in electromechanical actuators. We also examine the stress generated in the MoS2 monolayers and we find that 1T and 1T‧ MoS2 monolayers have relatively better performance than 1H MoS2 monolayer. We argue that such excellent electromechanical performance originate from the electrical conductivity of the metallic 1T and semimetallic 1T‧ structures and also from their high Young’s modulus of about 150-200 GPa.

  6. MoO3 incorporation in magnesium aluminosilicate glasses

    International Nuclear Information System (INIS)

    Tan, Shengheng; Ojovan, Michael I.; Hyatt, Neil C.; Hand, Russell J.

    2015-01-01

    Molybdate has a very low solubility in silicate and borosilicate glass systems and its excess presence in nuclear waste glass can cause the formation of a readily soluble “yellow phase”. In this study, the incorporation of molybdenum oxide (MoO 3 ) in a magnesium aluminosilicate glass system has been investigated. The prepared glasses show a higher than 90% molybdenum retention rate and up to 5.34 mol% (12.28 wt%) MoO 3 can be incorporated into these glasses without causing visible phase separation. The incorporation of MoO 3 increases glass density, decreases glass transition and crystallisation temperatures and intensifies Raman bands assigned to vibrations of MoO 4 2− units. When excess molybdate is added liquid–liquid phase separation and crystallisation occurs. The separated phase is spherical, 200–400 nm in diameter and randomly dispersed. Based on powder X-ray diffraction, Raman spectroscopy and transmission electron microscopy, the separated phase is identified as MgMoO 4

  7. MoO{sub 3} incorporation in magnesium aluminosilicate glasses

    Energy Technology Data Exchange (ETDEWEB)

    Tan, Shengheng; Ojovan, Michael I.; Hyatt, Neil C.; Hand, Russell J.

    2015-03-15

    Molybdate has a very low solubility in silicate and borosilicate glass systems and its excess presence in nuclear waste glass can cause the formation of a readily soluble “yellow phase”. In this study, the incorporation of molybdenum oxide (MoO{sub 3}) in a magnesium aluminosilicate glass system has been investigated. The prepared glasses show a higher than 90% molybdenum retention rate and up to 5.34 mol% (12.28 wt%) MoO{sub 3} can be incorporated into these glasses without causing visible phase separation. The incorporation of MoO{sub 3} increases glass density, decreases glass transition and crystallisation temperatures and intensifies Raman bands assigned to vibrations of MoO{sub 4}{sup 2−} units. When excess molybdate is added liquid–liquid phase separation and crystallisation occurs. The separated phase is spherical, 200–400 nm in diameter and randomly dispersed. Based on powder X-ray diffraction, Raman spectroscopy and transmission electron microscopy, the separated phase is identified as MgMoO{sub 4}.

  8. Photoactivated Mixed In-Plane and Edge-Enriched p-Type MoS2 Flake-Based NO2 Sensor Working at Room Temperature.

    Science.gov (United States)

    Agrawal, Abhay V; Kumar, Rahul; Venkatesan, Swaminathan; Zakhidov, Alex; Yang, Guang; Bao, Jiming; Kumar, Mahesh; Kumar, Mukesh

    2018-05-25

    Toxic gases are produced during the burning of fossil fuels. Room temperature (RT) fast detection of toxic gases is still challenging. Recently, MoS 2 transition metal dichalcogenides have sparked great attention in the research community due to their performance in gas sensing applications. However, MoS 2 based gas sensors still suffer from long response and recovery times, especially at RT. Considering this challenge, here, we report photoactivated highly reversible and fast detection of NO 2 sensors at room temperature (RT) by using mixed in-plane and edge-enriched p-MoS 2 flakes (mixed MoS 2 ). The sensor showed fast response with good sensitivity of ∼10.36% for 10 ppm of NO 2 at RT without complete recovery. However, complete recovery was obtained with better sensor performance under UV light illumination at RT. The UV assisted NO 2 sensing showed improved performance in terms of fast response and recovery kinetics with enhanced sensitivity to 10 ppm NO 2 concentration. The sensor performance is also investigated under thermal energy, and a better sensor performance with reduced sensitivity and high selectivity toward NO 2 was observed. A detailed gas sensing mechanism based on the density functional theory (DFT) calculations for favorable NO 2 adsorption sites on in-plane and edge-enriched MoS 2 flakes is proposed. This study revealed the role of favorable adsorption sites in MoS 2 flakes for the enhanced interaction of target gases and developed a highly sensitive, reversible, and fast gas sensor for next-generation toxic gases at room temperature.

  9. An alternative route for the preparation of the medical isotope 99Mo from the 238U(γ, f) and 100Mo(γ, n) reactions

    International Nuclear Information System (INIS)

    Naik, H.; Goswami, A.; Suryanarayana, S.V.; Jagadeesan, K.C.; Thakare, S.V.; Joshi, P.V.; Nimje, V.T.; Mittal, K.C.; Venugopal, V.; Kailas, S.

    2013-01-01

    The radionuclide 99 Mo, which has a half-life of 65.94 h was produced from 238 U(γ, f) and 100 Mo(γ, n) reactions using a 10 MeV electron linac at EBC, Kharghar Navi-Mumbai, India. This has been investigated since the daughter product 99m Tc is very important from a medical point of view and can be produced in a generator from the parent 99 Mo. The activity of 99 Mo was analyzed by a γ-ray spectrometric technique using a HPGe detector. From the detected γ-rays activity of 140.5 and 739.8 keV, the amount of 99 Mo produced was determined. For comparison, the amount of 99 Mo from 238 U(γ, f) and 100 Mo(γ, n) reactions was also estimated using the experimental photon flux from 197 Au(γ, n) 196 Au reaction. The amount of 99 Mo from the detected γ-lines is in agreement with the estimated value for 238 U(γ, f) and 100 Mo(γ, n) reactions. The production of 99 Mo activity from 238 U(γ, f) and 100 Mo(γ, n) reactions is a relevant and novel approach, which provides alternative routes to 235,238 U(n, f) and 98 Mo(n, γ) reactions, circumventing the need for a reactor. The viability and practicality of the 99 Mo production from the 238 U(γ, f) and 100 Mo(γ, n) reactions alternative to 235,238 U(n, f) and 98 Mo(n, γ) reactions has been emphasize. An estimate has been also arrived based on the experimental data of present work to fulfill the requirement of DOE. (author)

  10. Atomistic simulation of ideal shear strength, point defects, and screw dislocations in bcc transition metals: Mo as a prototype

    International Nuclear Information System (INIS)

    Xu, W.; Moriarty, J.A.

    1996-01-01

    Using multi-ion interatomic potentials derived from first-principles generalized pseudopotential theory, we have studied ideal shear strength, point defects, and screw dislocations in the prototype bcc transition metal molybdenum (Mo). Many-body angular forces, which are important to the structural and mechanical properties of such central transition metals with partially filled d bands, are accounted for in the present theory through explicit three- and four-ion potentials. For the ideal shear strength of Mo, our computed results agree well with those predicted by full electronic-structure calculations. For point defects in Mo, our calculated vacancy-formation and activation energies are in excellent agreement with experimental results. The energetics of six self-interstitial configurations have also been investigated. The left-angle 110 right-angle split dumbbell interstitial is found to have the lowest formation energy, in agreement with the configuration found by x-ray diffuse scattering measurements. In ascending order, the sequence of energetically stable interstitials is predicted to be left-angle 110 right-angle split dumbbell, crowdion, left-angle 111 right-angle split dumbbell, tetrahedral site, left-angle 001 right-angle split dumbbell, and octahedral site. In addition, the migration paths for the left-angle 110 right-angle dumbbell self-interstitial have been studied. The migration energies are found to be 3 endash 15 times higher than previous theoretical estimates obtained using simple radial-force Finnis-Sinclair potentials. Finally, the atomic structure and energetics of left-angle 111 right-angle screw dislocations in Mo have been investigated. We have found that the so-called open-quote open-quote easy close-quote close-quote core configuration has a lower formation energy than the open-quote open-quote hard close-quote close-quote one, consistent with previous theoretical studies. (Abstract Truncated)

  11. Study of the effect of irradiation of Mo targets at nuclear reactor

    International Nuclear Information System (INIS)

    Nieto, Renata C.; Lima, Ana Lucia V.P.; Silva, Nestor C. da; Osso Junior, Joao Alberto

    2000-01-01

    The most used radioisotope in nuclear medicine is 99m Tc, in the 99 Mo- 99m Tc generator form. 99 Mo can be produced by several nuclear reactions in reactors and cyclotrons. The cyclotron production is not technically and economically viable. The production in the reactor can be done in two different ways: by the fission of 235 U and by the 98 Mo(n,γ) 99 Mo reaction. A project for the production of 99 Mo by the activation of Mo and the preparation of gel type generators is under development at the 'Instituto de Pesquisas Energeticas e Nucleares'. In the present work, the radionuclidic impurities produced in the activation of MoO 3 , metallic Mo and Mo Zr gel were evaluated, as well as the radionuclidic purity of 99m Tc eluted from generators prepared. (author)

  12. A first principle Comparative study of electronic and optical properties of 1H –MoS2 and 2H –MoS2

    International Nuclear Information System (INIS)

    Kumar, Ashok; Ahluwalia, P.K.

    2012-01-01

    First principle calculations of electronic and optical properties of monolayer MoS 2 , so called 1H –MoS 2 , is performed which has emerged as a new direct band gap semiconductor. Before calculations of the properties of 1H –MoS 2 , we have calculated structural parameters, electronic properties (electronic band structure and electronic density of states) and frequency dependent optical response (real and imaginary part of dielectric function, energy loss function, absorption and reflectance spectra) of 2H –MoS 2 and compared with existing experimental results and found that our calculated results are in very good agreements with experimental results. To compare the dielectric functions of bulk (2H –MoS 2 ) and monolayer (1H –MoS 2 ) phases we have further extended these calculations to the single layer MoS 2 (1H –MoS 2 ) which is analogous to graphene. Structural parameters of 1H –MoS 2 are found very close to its bulk 2H –MoS 2 . We find direct electronic band gap at ‘K’ high symmetry point as compared to indirect band gap in its bulk 2H – MoS2. Our calculated dielectric function for 1H – MoS2 shows structure at nearly same energy positions as compared to 2H – MoS2 with additional structure at 3.8 eV. Also additional well defined energy loss peaks revealing the plasmonic resonances at 15.7 eV and 16.0 eV for E vector perpendicular and parallel to c axis respectively for 1H – MoS2 have been found, which are the signatures of surface plasmons at these energies. -- Highlights: ► Structural parameters of 2H-MoS2 and 1H-MoS2 are nearly identical. ► States around the Fermi energy are mainly due to the metal d states. ► Strong hybridization between Mo-d and S-p states below the Fermi energy has been found. ► Optical spectra of 2H-MoS2 finds very good agreements with experimental optical spectra. ► The band gap is found to be direct for 1H-MoS2 as compared to indirect for 2H-MoS2.

  13. Development of improved HP/IP rotor material 2% CrMoNiWV (23 CrMoNiWV 88)

    International Nuclear Information System (INIS)

    Wiemann, W.

    1989-01-01

    The new 2% CrMoNiWV steel has a sufficient strength level, a very good creep (rupture) behaviour and an excellent toughness behaviour for a creep resistant steel. Even after long time high temperature exposure the toughness degradation is so small that it is still better than this of best 1% CrMo(Ni)V steels. The fatigue behaviour is well comparable to this of 1% CrMo(Ni)V. The 2% CrMoNiWV steel has the capability to substitute the traditional 1% CrMo(Ni)V. (orig.) With 26 annexes

  14. Comparative study of water reactivity with Mo{sub 2}O{sub y}{sup −} and W{sub 2}O{sub y}{sup −} clusters: A combined experimental and theoretical investigation

    Energy Technology Data Exchange (ETDEWEB)

    Ray, Manisha; Waller, Sarah E.; Saha, Arjun; Raghavachari, Krishnan; Jarrold, Caroline Chick, E-mail: cjarrold@indiana.edu [Department of Chemistry, Indiana University, Bloomington, Indiana 47405 (United States)

    2014-09-14

    A computational investigation of the Mo{sub 2}O{sub y}{sup −} + H{sub 2}O (y = 4, 5) reactions as well as a photoelectron spectroscopic probe of the deuterated Mo{sub 2}O{sub 6}D{sub 2}{sup −} product have been carried out to understand a puzzling question from a previous study: Why is the rate constant determined for the Mo{sub 2}O{sub 5}{sup −} + H{sub 2}O/D{sub 2}O reaction, the terminal reaction in the sequential oxidation of Mo{sub 2}O{sub y}{sup −} by water, higher than the W{sub 2}O{sub 5}{sup −} + H{sub 2}O/D{sub 2}O reaction? This disparity was intriguing because W{sub 3}O{sub y}{sup −} clusters were found to be more reactive toward water than their Mo{sub 3}O{sub y}{sup −} analogs. A comparison of molecular structures reveals that the lowest energy structure of Mo{sub 2}O{sub 5}{sup −} provides a less hindered water addition site than the W{sub 2}O{sub 5}{sup −} ground state structure. Several modes of water addition to the most stable molecular and electronic structures of Mo{sub 2}O{sub 4}{sup −} and Mo{sub 2}O{sub 5}{sup −} were explored computationally. The various modes are discussed and compared with previous computational studies on W{sub 2}O{sub y}{sup −} + H{sub 2}O reactions. Calculated free energy reaction profiles show lower barriers for the initial Mo{sub 2}O{sub y}{sup −} + H{sub 2}O addition, consistent with the higher observed rate constant. The terminal Mo{sub 2}O{sub y}{sup −} sequential oxidation product predicted computationally was verified by the anion photoelectron spectrum of Mo{sub 2}O{sub 6}D{sub 2}{sup −}. Based on the computational results, this anion is a trapped dihydroxide intermediate in the Mo{sub 2}O{sub 5}{sup −} + H{sub 2}O/D{sub 2}O → Mo{sub 2}O{sub 6}{sup −} + H{sub 2}/D{sub 2} reaction.

  15. Effects of boron addition on the formation of MoSi2 by combustion synthesis mode

    International Nuclear Information System (INIS)

    Feng Peizhong; Wu Jie; Islam, S.H.; Liu Weisheng; Niu Jinan; Wang Xiaohong; Qiang Yinghuai

    2010-01-01

    The combustion synthesis behavior of Mo-Si-B powder was investigated. Test specimens with nominal compositions including MoSi 2 , Mo(Si 0.975 B 0.025 ) 2 , Mo(Si 0.95 B 0.05 ) 2 , Mo(Si 0.925 B 0.075 ) 2 and Mo(Si 0.9 B 0.1 ) 2 were employed. The combustion mode, propagation velocity of combustion wave, combustion temperature and combustion product structure were studied. The results showed that the combustion wave propagated along a spiral trajectory till reaching the bottom of the compacts. The combustion temperature was increased by the addition of boron, to as high as 1922 K in the case of the Mo(Si 0.95 B 0.05 ) 2 sample. However, the flame-front propagation velocity decreased as a result of the addition of boron. The X-ray diffraction results showed that the combustion products of the Mo(Si 0.975 B 0.025 ) 2 and Mo(Si 0.9 B 0.1 ) 2 samples were composed of MoSi 2 with minor MoB. Those of the Mo(Si 0.95 B 0.05 ) 2 and Mo(Si 0.925 B 0.075 ) 2 samples were composed of MoSi 2 with minor MoB and MoB 2 . And traces of Mo 2 B 5 were identified in the Mo(Si 0.95 B 0.05 ) 2 sample.

  16. Characterization of electrical resistivity as a function of temperature in the Mo-Si-B system

    International Nuclear Information System (INIS)

    Beckman, Sarah E.

    1999-01-01

    Measurements of electrical resistivity as a function of temperature from 25 to 1,500 C were conducted on polycrystalline samples in the Mo-Si-B system. Single phase, or nearly single phase, samples were prepared for the following phases: Mo 3 Si, Mo 5 SiB 2 , Mo 5 Si 3 B x , MoB, MoSi 2 , and Mo 5 Si 3 . Thesis materials all exhibit resistivity values within a narrow range(4--22 x 10 -7 Omega-m), and the low magnitude suggests these materials are semi-metals or low density of states metals. With the exception of MoSi 2 , all single phase materials in this study were also found to have low temperature coefficient of resistivity(TCR) values. These values ranged from 2.10 x 10 -10 to 4.74 x 10 -10 Omega-m/degree C, and MoSi 2 had a TCR of 13.77 x 10 -10 Omega-m/degree C. The results from the single phase sample measurements were employed in a natural log rule-of-mixtures model to relate the individual phase resistivity values to those of multiphase composites. Three Mo-Si-B phase regions were analyzed: the binary Mo 5 Si 3 -MoSi 2 system, the ternary phase field Mo 5 Si 3 B x MoB-MoSi 2 , and the Mo 3 Si-Mo 5 SiB 2 -Mo 5 Si 3 B x ternary region. The experimental data for samples in each of these regions agreed with the natural log model and illustrated that this model can predict the electrical resistivity as a function of temperature of multi-phase, sintered samples within an error of one standard deviation

  17. {sup 99}Mo sorption by thermally treated hydrotalcites

    Energy Technology Data Exchange (ETDEWEB)

    Serrano, J.; Bertin, V.; Bulbulian, S.

    2000-04-04

    MoO{sub 4}{sup {minus}2} ions were sorbed in calcined hydrotalcite contained in a column. It was found that 98% of {sup 99m}Tc formed by {sup 99}Mo decay was eluted through the column in the form of pertechnetate. The content of radionuclides was determined by {gamma}-spectrometry, and natural molybdenum was measured by neutron activation analysis. Solids were characterized by thermal analysis, X-ray diffraction, and infrared spectroscopy. Through batch experiments, the hydrotalcite capacity toward molybdate ions (1.12 x 10{sup {minus}3} M) was found to be 3.2 mequiv g{sup {minus}1}. It was found that the high molybdate adsorbing capacity of calcined hydrotalcite could be utilized in designing a {sup 99m}Tc generator made with low specific activity {sup 99}Mo-molybdate samples.

  18. Nanocrystalline electrodeposited Ni-Mo-C cathodes for hydrogen production

    International Nuclear Information System (INIS)

    Hashimoto, K.; Sasaki, T.; Meguro, S.; Asami, K.

    2004-01-01

    Tailoring active nickel alloy cathodes for hydrogen evolution in a hot concentrated hydroxide solution was attempted by electrodeposition. The carbon addition to Ni-Mo alloys decreased the nanocrystalline grain size and remarkably enhanced the activity for hydrogen evolution, changing the mechanism of hydrogen evolution. The Tafel slope of hydrogen evolution was about 35 mV per decade. This suggested that the rate-determining step is desorption of adsorbed hydrogen atoms by recombination. As was distinct from the binary Ni-Mo alloys, after open circuit immersion, the overpotential, that is, the activity of nanocrystalline Ni-Mo-C alloys for hydrogen evolution was not changed, indicating the sufficient durability in the practical electrolysis

  19. U-Mo fuels handbook. Version 1.0

    International Nuclear Information System (INIS)

    Rest, Jeffrey; Kim, Yeon Soo; Hofman, Gerard L.; Meyer, Mitchell K.; Hayes, Steven L.

    2006-01-01

    This handbook provides an overview of property data and fuel performance topics with an emphasis on data available for U-Mo alloys. These data often exist only in report format and have not been widely disseminated in the journal literature. For some topics there is more than one source of data, which are sometimes inconsistent. In this situation, the authors have attempted to select the best dataset to provide a standard for fuel designers and reactor operators. Following the section on unirradiated and irradiated materials properties for the monolithic U-Mo alloy, property data for cladding and matrix aluminum are presented. Property data for cladding aluminum are more widely available, and are not presented in great depth. Finally, some properties of (U-Mo)/Al dispersions are also included in this document. Where no data are available, best estimate correlations are provided. Best fits to the data are presented in order to facilitate use by fuel designers and reactor operators.

  20. Thermal conductivity of bulk and monolayer MoS2

    KAUST Repository

    Gandi, Appala

    2016-02-26

    © Copyright EPLA, 2016. We show that the lattice contribution to the thermal conductivity of MoS2 strongly dominates the carrier contribution in a broad temperature range from 300 to 800 K. Since theoretical insight into the lattice contribution is largely missing, though it would be essential for materials design, we solve the Boltzmann transport equation for the phonons self-consistently in order to evaluate the phonon lifetimes. In addition, the length scale for transition between diffusive and ballistic transport is determined. The low out-of-plane thermal conductivity of bulk MoS2 (2.3 Wm-1K-1 at 300 K) is useful for thermoelectric applications. On the other hand, the thermal conductivity of monolayer MoS2 (131 Wm-1K-1 at 300 K) is comparable to that of Si.

  1. An experimental investigation of double beta decay of 100Mo

    International Nuclear Information System (INIS)

    Dougherty, B.L.

    1988-01-01

    New limits on half-lives for several double beta decay modes of 100 Mo were obtained with a novel experimental system which included thin source films interleaved with a coaxial array of windowless silicon detectors. Segmentation and timing information allowed backgrounds originating in the films to be studied in some detail. Dummy films containing 96 Mo were used to assess remaining backgrounds. With 0.1 mole years of 100 Mo data collected, the lower half-life limits at 90% confidence were 2.7 /times/ 10 18 years for decay via the two-neutrino mode, 5.2 /times/10 19 years for decay with the emission of a Majoron, and 1.6 /times/ 10 20 years and 2.2 /times/ 10 21 years for neutrinoless 0 + → 2 + and 0 + → 0 + transitions, respectively. 50 refs., 38 figs., 11 tabs

  2. Interdiffusion between U-Zr-Mo and stainless steel cladding

    International Nuclear Information System (INIS)

    Hwang, J. Y.; Lee, B. S.; Lee, J. T.; Kang, Y. H.

    1998-01-01

    Interdiffusion investigations were carried out at 700 deg C for 200 hours for the diffusion couples assembled with the U-Zr-Mo ternary fuel versus austenitic stainless steel D9 and the U-Zr-Mo ternary fuel versus martensitic stainless steel HT9 respectively to investigate the fuel-cladding compatibility. SEM-EDS analysis was utilized to determine the composition and the penetration depths of the reaction layers. In the case of Fuel/D9 couple, (Fe, Cr, Ni) of the cladding elements formed the precipitates with the Zr, Mo and diminished the U concentration upto 800μ length from the fuel side. Composition of the precipitates was varied with the penetrated elements. In Fuel/HT9 couple, reaction layer was smaller than that of D9 couples and was less affected by cladding elements. The eutectic reaction appeared partially in the Fuel/HT9 diffusion couple

  3. Ultrafast photocurrents in monolayer MoS2

    Science.gov (United States)

    Parzinger, Eric; Wurstbauer, Ursula; Holleitner, Alexander W.

    Two-dimensional transition metal dichalcogenides such as MoS2 have emerged as interesting materials for optoelectronic devices. In particular, the ultrafast dynamics and lifetimes of photoexcited charge carriers have attracted great interest during the last years. We investigate the photocurrent response of monolayer MoS2 on a picosecond time scale utilizing a recently developed pump-probe spectroscopy technique based on coplanar striplines. We discuss the ultrafast dynamics within MoS2 including photo-thermoelectric currents and the impact of built-in fields due to Schottky barriers as well as the Fermi level pinning at the contact region. We acknowledge support by the ERC via Project 'NanoREAL', the DFG via excellence cluster 'Nanosystems Initiative Munich' (NIM), and through the TUM International Graduate School of Science and Engineering (IGSSE) and BaCaTeC.

  4. Electrochromic properties of nanocrystalline MoO3 thin films

    International Nuclear Information System (INIS)

    Hsu, C.-S.; Chan, C.-C.; Huang, H.-T.; Peng, C.-H.; Hsu, W.-C.

    2008-01-01

    Electrochromic MoO 3 thin films were prepared by a sol-gel spin-coating technique. The spin-coated films were initially amorphous; they were calcined, producing nanocrystalline MoO 3 thin films. The effects of annealing temperatures ranging from 100 o C to 500 o C were investigated. The electrochemical and electrochromic properties of the films were measured by cyclic voltammetry and by in-situ optical transmittance techniques in 1 M LiClO 4 /propylene carbonate electrolyte. Experimental results showed that the transmittance of MoO 3 thin films heat-treated at 350 o C varied from 80% to 35% at λ = 550 nm (ΔT = ∼ 45%) and from 86% to 21% at λ ≥ 700 nm (ΔT = ∼ 65%) after coloration. Films heat-treated at 350 deg. C exhibited the best electrochromic properties in the present study

  5. Progress in Establishment of Fission Mo Production Technology in Korea

    International Nuclear Information System (INIS)

    Lee, Jun Sig

    2013-01-01

    Research activities have been made in both the development of the fission Mo production process and the designing of the production facility that will be established at Kijang, Korea including a new research reactor in 2017. Progress in the process development for target preparation, target dissolution, Mo extraction, and purification has been made. It is also a great concern to minimize the radioactive wastes or at least to generate the wastes in readily treatable forms in the project. After series of cold experiments, the target dissolution and solution formulation for a column operation are optimized. Progress in the design of the production facility has been made. Two trains of hot cells including the waste storages have been proposed for the alternative operation of the facility. A radioisotope production facility is designed to locate next to the fission Mo production building to provide a simpler and easier handling pathway of the products

  6. Single-layer MoS2 electronics.

    Science.gov (United States)

    Lembke, Dominik; Bertolazzi, Simone; Kis, Andras

    2015-01-20

    CONSPECTUS: Atomic crystals of two-dimensional materials consisting of single sheets extracted from layered materials are gaining increasing attention. The most well-known material from this group is graphene, a single layer of graphite that can be extracted from the bulk material or grown on a suitable substrate. Its discovery has given rise to intense research effort culminating in the 2010 Nobel Prize in physics awarded to Andre Geim and Konstantin Novoselov. Graphene however represents only the proverbial tip of the iceberg, and increasing attention of researchers is now turning towards the veritable zoo of so-called "other 2D materials". They have properties complementary to graphene, which in its pristine form lacks a bandgap: MoS2, for example, is a semiconductor, while NbSe2 is a superconductor. They could hold the key to important practical applications and new scientific discoveries in the two-dimensional limit. This family of materials has been studied since the 1960s, but most of the research focused on their tribological applications: MoS2 is best known today as a high-performance dry lubricant for ultrahigh-vacuum applications and in car engines. The realization that single layers of MoS2 and related materials could also be used in functional electronic devices where they could offer advantages compared with silicon or graphene created a renewed interest in these materials. MoS2 is currently gaining the most attention because the material is easily available in the form of a mineral, molybdenite, but other 2D transition metal dichalcogenide (TMD) semiconductors are expected to have qualitatively similar properties. In this Account, we describe recent progress in the area of single-layer MoS2-based devices for electronic circuits. We will start with MoS2 transistors, which showed for the first time that devices based on MoS2 and related TMDs could have electrical properties on the same level as other, more established semiconducting materials. This

  7. Crystal Structure of Na3MoCl6

    Directory of Open Access Journals (Sweden)

    Martin Beran

    2011-07-01

    Full Text Available The ternary chloride Na3MoCl6 is obtained as red crystals from a disproportionation reaction of molybdenum dichloride, {Mo6}Cl12, in an acidic NaCl/AlCl3 melt at 350 °C. The crystal structure (trigonal, P-31c, a = 687.1(1, c = 1225.3(2 pm, Z = 2, V = 501,0(1 106 pm3 is that of Na3CrCl6: within a hexagonal closest-packing of chloride ions two thirds of the octahedral voids are filled between the AB double layers with Na+/Mo3+, and between the BA layers with Na+.

  8. Production of Mo-99 using low-enriched uranium silicide

    International Nuclear Information System (INIS)

    Hutter, J.C.; Srinivasan, B.; Vicek, M.; Vandegrift, G.F.

    1994-01-01

    Over the last several years, uranium silicide fuels have been under development as low-enriched uranium (LEU) targets for Mo-99. The use of LEU silicide is aimed at replacing the UAl x alloy in the highly-enriched uranium dissolution process. A process to recover Mo-99 from low-enriched uranium silicide is being developed at Argonne National Laboratory. The uranium silicide is dissolved in alkaline hydrogen peroxide. Experiments performed to determine the optimum dissolution procedure are discussed, and the results of dissolving a portion of a high-burnup (>40%) U 3 Si 2 miniplate are presented. Future work related to Mo-99 separation and waste disposal are also discussed

  9. Ligand bridging-angle-driven assembly of molecular architectures based on quadruply bonded Mo-Mo dimers.

    Science.gov (United States)

    Li, Jian-Rong; Yakovenko, Andrey A; Lu, Weigang; Timmons, Daren J; Zhuang, Wenjuan; Yuan, Daqiang; Zhou, Hong-Cai

    2010-12-15

    A systematic exploration of the assembly of Mo2(O2C-)4-based metal-organic molecular architectures structurally controlled by the bridging angles of rigid organic linkers has been performed. Twelve bridging dicarboxylate ligands were designed to be of different sizes with bridging angles of 0, 60, 90, and 120° while incorporating a variety of nonbridging functional groups, and these ligands were used as linkers. These dicarboxylate linkers assemble with quadruply bonded Mo-Mo clusters acting as nodes to give 13 molecular architectures, termed metal-organic polygons/polyhedra with metal cluster node arrangements of a linear shape, triangle, octahedron, and cuboctahedron/anti-cuboctahedron. The syntheses of these complexes have been optimized and their structures determined by single-crystal X-ray diffraction. The results have shown that the shape and size of the resulting molecular architecture can be controlled by tuning the bridging angle and size of the linker, respectively. Functionalization of the linker can adjust the solubility of the ensuing molecular assembly but has little or no effect on the geometry of the product. Preliminary gas adsorption, spectroscopic, and electrochemical properties of selected members were also studied. The present work is trying to enrich metal-containing supramolecular chemistry through the inclusion of well-characterized quadruply bonded Mo-Mo units into the structures, which can widen the prospect of additional electronic functionality, thereby leading to novel properties.

  10. Determination of 99Mo contamination in 99mTc elute obtained from 99Mo/99mTc- generator

    International Nuclear Information System (INIS)

    Momennezhad, M.; Zakavi, S. R.; Sadeghi, R.

    2010-01-01

    99m Tc is a widely used radioisotope in nuclear medicine centers which is obtained by elution from Mo-99/Tc-99m generators. Usually the generators are either supplied by the Iran Atomic Energy Agency or by private companies from foreign countries. In this study we have measured 99 Mo contamination in 99m Tc elute from different generators in a period of one year. Materials and Methods: The radionuclide impurity of the 99m Tc elute were studied in two types of radionuclide generators (A: produced in Iran and B: Imported from other country). In-vitro measurements were performed using dose calibrator. Direct measurements were made, using a standard canister at the time of milking of the generators and also in Subsequent hours after milking. Results: The results showed a mean of 99 Mo impurity in generators A and B to be 0.00932±0.0043 and 0.0170±0.0127 respectively. Although the results showed that the 99 Mo contamination in 99 mTc elute was lesser than the maximum accepted activity limit of 0.015%, the difference in these two types may reflect different methods of productions of generator, as well as the quality control procedures. Conclusion: The mean of 99 Mo contamination in generators produced in Iran Atomic Energy Organization was lesser than generators imported from foreign origin.

  11. Diversification of 99Mo/99mTc separation: non–fission reactor production of 99Mo as a strategy for enhancing 99mTc availability.

    Science.gov (United States)

    Pillai, Maroor R A; Dash, Ashutosh; Knapp, Furn F Russ

    2015-01-01

    This paper discusses the benefits of obtaining (99m)Tc from non-fission reactor-produced low-specific-activity (99)Mo. This scenario is based on establishing a diversified chain of facilities for the distribution of (99m)Tc separated from reactor-produced (99)Mo by (n,γ) activation of natural or enriched Mo. Such facilities have expected lower investments than required for the proposed chain of cyclotrons for the production of (99m)Tc. Facilities can receive and process reactor-irradiated Mo targets then used for extraction of (99m)Tc over a period of 2 wk, with 3 extractions on the same day. Estimates suggest that a center receiving 1.85 TBq (50 Ci) of (99)Mo once every 4 d can provide 1.48-3.33 TBq (40-90 Ci) of (99m)Tc daily. This model can use research reactors operating in the United States to supply current (99)Mo needs by applying natural (nat)Mo targets. (99)Mo production capacity can be enhanced by using (98)Mo-enriched targets. The proposed model reduces the loss of (99)Mo by decay and avoids proliferation as well as waste management issues associated with fission-produced (99)Mo.

  12. Thermal and x-ray studies on Tl2U(MoO4)3 and Tl4U(MoO4)4

    International Nuclear Information System (INIS)

    Dahale, N.D.; Keskar, Meera; Kulkarni, N.K.; Singh Mudher, K.D.

    2006-01-01

    In the quaternary Tl-U(IV)-Mo-O system, two new compounds namely Tl 2 U(MoO 4 ) 3 and Tl 4 U(MoO 4 ) 4 were prepared and characterized by powder X-ray diffraction and thermal methods. These compounds were prepared by solid state reactions of Tl 2 MoO 4 , UMoO 5 and MoO 3 in the required stoichiometric ratio at 500 deg C in evacuated sealed quartz ampoule. The XRD data of Tl 2 U(MoO 4 ) 3 and Tl 4 U(MoO 4 ) 4 were indexed on orthorhombic cell. TG curves of Tl 2 U(MoO 4 ) 3 and Tl 4 U(MoO 4 ) 4 did not show any weight change up to 700 deg C in an inert atmosphere. During heating in an inert atmosphere, Tl 2 U(MoO 4 ) 3 and Tl 4 U(MoO 4 ) 4 showed endothermic Dta peaks due to melting of the compounds at 519 and 565 deg C, respectively. (author)

  13. Enhanced field emission behavior of layered MoSe2

    International Nuclear Information System (INIS)

    Suryawanshi, Sachin R; Pawbake, Amit S; Jadkar, Sandesh R; More, Mahendra A; Pawar, Mahendra S; Late, Dattatray J

    2016-01-01

    Herein, we report one step facile chemical vapor deposition method for synthesis of single-layer MoSe 2 nanosheets with average lateral dimension ∼60 μm on 300 nm SiO 2 /Si and n-type silicon substrates and field emission investigation of MoSe 2 /Si at the base pressure of ∼1 × 10 −8 mbar. The morphological and structural analyses of the as-deposited single-layer MoSe 2 nanosheets were carried out using an optical microscopy, Raman spectroscopy and atomic force microscopy. Furthermore, the values of turn-on and threshold fields required to extract an emission current densities of 1 and 10 μA cm −2 , are found to be ∼1.9 and ∼2.3 V μm −1 , respectively. Interestingly, the MoSe 2 nanosheet emitter delivers maximum field emission current density of ∼1.5 mA cm −2 at a relatively lower applied electric field of ∼3.9 V μm −1 . The long term operational current stability recorded at the preset values of 35 μA over 3 hr duration and is found to be very good. The observed results demonstrates that the layered MoSe 2 nanosheet based field emitter can open up many opportunities for their potential application as an electron source in flat panel display, transmission electron microscope, and x-ray generation. Thus, the facile one step synthesis approach and robust nature of single-layer MoSe 2 nanosheets emitter can provide prospects for the future development of practical electron sources. (paper)

  14. Investigation of the fabrication process of hot-worked stainless-steel and Mo sheathed PbMo6 S8 wires

    International Nuclear Information System (INIS)

    Yamasaki, H.; Kimura, Y.

    1988-01-01

    Stainless-steel and Mo sheathed PbMo 6 S 8 wires have been fabricated by hot working from modified PbS, Mo, and MoS 2 mixed powders which were prepared by reacting Pb, Mo, and S at 530 0 C. Critical current densities were investigated for different preparation conditions, and it is revealed that obtaining continuous current path between PbMo 6 S 8 grains is the most important factor to achieve high critical current density. The J/sub c/ value of 2.8 x 10 4 Acm 2 (8 T), 7.8 x 10 3 Acm 2 (15 T), and 1.3 x 10 3 Acm 2 (23 T) was observed for the PbMo 6 S/sub 7.0/ wire heat treated at 700 0 C.copic

  15. MoDnm1 Dynamin Mediating Peroxisomal and Mitochondrial Fission in Complex with MoFis1 and MoMdv1 Is Important for Development of Functional Appressorium in Magnaporthe oryzae.

    Directory of Open Access Journals (Sweden)

    Kaili Zhong

    2016-08-01

    Full Text Available Dynamins are large superfamily GTPase proteins that are involved in various cellular processes including budding of transport vesicles, division of organelles, cytokinesis, and pathogen resistance. Here, we characterized several dynamin-related proteins from the rice blast fungus Magnaporthe oryzae and found that MoDnm1 is required for normal functions, including vegetative growth, conidiogenesis, and full pathogenicity. In addition, we found that MoDnm1 co-localizes with peroxisomes and mitochondria, which is consistent with the conserved role of dynamin proteins. Importantly, MoDnm1-dependent peroxisomal and mitochondrial fission involves functions of mitochondrial fission protein MoFis1 and WD-40 repeat protein MoMdv1. These two proteins display similar cellular functions and subcellular localizations as MoDnm1, and are also required for full pathogenicity. Further studies showed that MoDnm1, MoFis1 and MoMdv1 are in complex to regulate not only peroxisomal and mitochondrial fission, pexophagy and mitophagy progression, but also appressorium function and host penetration. In summary, our studies provide new insights into how MoDnm1 interacts with its partner proteins to mediate peroxisomal and mitochondrial functions and how such regulatory events may link to differentiation and pathogenicity in the rice blast fungus.

  16. Cyclic Oxidation of High Mo, Reduced Density Superalloys

    Directory of Open Access Journals (Sweden)

    James L. Smialek

    2015-11-01

    Full Text Available Cyclic oxidation was characterized as part of a statistically designed, 12-alloy compositional study of 2nd generation single crystal superalloys as part of a broader study to co-optimize density, creep strength, and cyclic oxidation. The primary modification was a replacement of 5 wt. % W by 7% or 12% Mo for density reductions of 2%–7%. Compositions at two levels of Mo, Cr, Co, and Re were produced, along with a midpoint composition. Initially, polycrystalline vacuum induction samples were screened in 1100 °C cyclic furnace tests using 1 h cycles for 200 h. The behavior was primarily delimited by Cr content, producing final weight changes of −40 mg/cm2 to −10 mg/cm2 for 0% Cr alloys and −2 mg/cm2 to +1 mg/cm2 for 5% Cr alloys. Accordingly, a multiple linear regression fit yielded an equation showing a strong positive Cr effect and lesser negative effects of Co and Mo. The results for 5% Cr alloys compare well to −1 mg/cm2, and +0.5 mg/cm2 for Rene′ N4 and Rene′ N5 (or Rene′ N6, respectively. Scale phases commonly identified were Al2O3, NiAl2O4, NiTa2O6, and NiO, with (Ni,CoMoO4 found only on the least resistant alloys having 0% Cr and 12% Mo. Scale microstructures were complex and reflected variations in the regional spallation history. Large faceted NiO grains and fine NiTa2O6 particles distributed along NiAl2O4 grain boundaries were typical distinctive features. NiMoO4 formation, decomposition, and volatility occurred for a few high Mo compositions. A creep, density, phase stability, and oxidation balanced 5% Cr, 10% Co, 7% Mo, and 3% Re alloy was selected to be taken forward for more extensive evaluations in single crystal form.

  17. The rate-limiting process of hydrogen transport in Mo

    Energy Technology Data Exchange (ETDEWEB)

    Ohkoshi, Keishiro; Chikazawa, Yoshitaka; Bandourko, V; Yamaguchi, Kenji; Yamawaki, Michio [Tokyo Univ., Tokai, Ibaraki (Japan). Nuclear Engineering Research Lab.

    1996-10-01

    Hydrogen isotope transport characteristics of Mo, whose refractory properties are considered to be suitable as plasma facing material, was investigated by applying 3 keV D{sub 2}{sup +} beam to the membrane specimen. The Arrhenius plot of deuterium permeation probability showed linear increase against the reciprocal temperature and its apparent activation energy was determined as 41.5 kJ/mol. The simultaneous irradiation of 3 keV Ar{sup +} onto backside surface of specimen had little effect on the deuterium permeation rate. According to these results, the rate-limiting process of deuterium transport in Mo was determined. (author)

  18. Characterization of wastes from fission 99 Mo production

    International Nuclear Information System (INIS)

    Endo, L.S.; Dellamano, J.C.

    1992-07-01

    This work is a preliminary study on waste-streams generated in a fission 99 Mo production plant, their characterization and quantification. The study is based on a plant whose 99 Mo production process is the alkaline dissolution of U-target. The target is made of 1 g of enriched 235 U, therefore most of radionuclides present in the waste-streams are fission products. All the radionuclides inventories were estimated based on ORIGEN-2 Code. The characterization was done as a primary stage for the establishment of waste management plan, which should be subject for further study. (author)

  19. Properties of MoO3 thin film polymorphs

    International Nuclear Information System (INIS)

    McCarron, E.M.; Carcia, P.F.

    1987-01-01

    Thin film polymorphs of molybdenum trioxide have been synthesized by RF sputtering. Films deposited on thermally floating substrates are polycrystalline and exhibit preferred orientation. Depending upon the oxygen partial pressure maintained during sputtering, the films can be made to crystallize in either the thermodynamically stable orthorhombic α MoO 3 form (unique 2D-layered structure) or the metastable monoclinic β MoO 3 phase (3D ReO 3 -related structure). Metastable β films can be converted thermally to the α phase and the transformation appears topotactic. Films deposited on the cooled substrates are amorphous. A correlation between the particular phase formed and adatom mobility is noted

  20. Conduction quantization in monolayer MoS2

    Science.gov (United States)

    Li, T. S.

    2016-10-01

    We study the ballistic conduction of a monolayer MoS2 subject to a spatially modulated magnetic field by using the Landauer-Buttiker formalism. The band structure depends sensitively on the field strength, and its change has profound influence on the electron conduction. The conductance is found to demonstrate multi-step behavior due to the discrete number of conduction channels. The sharp peak and rectangular structures of the conductance are stretched out as temperature increases, due to the thermal broadening of the derivative of the Fermi-Dirac distribution function. Finally, quantum behavior in the conductance of MoS2 can be observed at temperatures below 10 K.

  1. Study on the Ni Mo alloy nano crystals

    International Nuclear Information System (INIS)

    Goncalves, Lidice A. Pereira; Pontes, Luiz Renato de Araujo

    1996-01-01

    Materials with nanocrystalline microstructures are solids that contain such a high density of defects, with the spacings between neighboring defects approaching interatomic distances. As result, nanocrystalline solids exhibit physical and chemical properties different from those usually found in normal crystalline s or amorphous materials with the same chemical composition. In this work, the nanocrystalline Ni Mo alloy was prepared by melt-spinning method. The novelly synthesized nanocrystalline Ni Mo alloy was characterized by X-ray diffraction (XRD), differential scanning calorimetry (D S C) and microscopy. The estimated average crystalline size by the Debye-Scherrer formulas was 20 nm. (author)

  2. Engineering Ni-Mo-S Nanoparticles for Hydrodesulfurization

    DEFF Research Database (Denmark)

    Bodin, Anders; Christoffersen, Ann-Louise N.; Elkjær, Christian F.

    2018-01-01

    Nanoparticle engineering for catalytic applications requires both a synthesis technique for the production of well-defined nanoparticles and measurements of their catalytic performance. In this paper, we present a new approach to rationally engineering highly active Ni-Mo-S nanoparticle catalysts...... for hydrodesulfurization (HDS), i.e., the removal of sulfur from fossil fuels. Nanoparticle catalysts are synthesized by the sputtering of a Mo75Ni25 metal target in a reactive atmosphere of Ar and H2S followed by the gas aggregation of the sputtered material into nanoparticles. The nanoparticles are filtered...

  3. Tensile and impact properties of TZM and Mo-5% Re

    International Nuclear Information System (INIS)

    Filacchioni, G.; Casagrande, E.; Angelis, U. de; Santis, G. de; Ferrara, D.

    1994-01-01

    Some aspects of the mechanical behaviour of two molybdenum alloys, one belonging to the precipitation hardened sub-family (TZM) and the other is a solid solution Mo 5% rhenium-bearing alloy, have been investigated. Experimental data (tensile mechanical strength, ductility and impact properties of unirradiated materials) show that a difference in behaviour exists between the precipitation hardened and the solid solution strengthened alloy, but at the same time a serious discrepancy has been found between the present results and previously reported ductile to brittle transition temperature values for Mo alloys. ((orig.))

  4. Structural and magnetic properties of Ba2LuMoO6: a valence bond glass.

    Science.gov (United States)

    Coomer, Fiona C; Cussen, Edmund J

    2013-02-27

    We report here the synthesis of the site ordered double perovskite Ba(2)LuMoO(6). Rietveld refinement of room temperature powder x-ray diffraction measurements indicates that it crystallizes in the cubic space group Fm3m, with a = 8.3265(1) Å. Powder neutron diffraction data indicate that, unusually, this cubic symmetry is maintained down to 2 K, with [Formula: see text], Mo(5+) ions situated on the frustrated face-centred cubic lattice. Despite dc-susceptibility measurements showing Curie-Weiss behaviour with strong antiferromagnetic interactions at T ≥ 200 K, there is no evidence of long range magnetic ordering at 2 K. At T ≤ 50 K, susceptibility measurements indicate a loss in moment to ∼18% of the expected value, and there is a corresponding loss in the magnitude of the magnetic exchange. The structural and magnetic properties of this compound are compared with the related compound Ba(2)YMoO(6), which is a valence bond glass.

  5. EcoFlex: A Multifunctional MoClo Kit for E. coli Synthetic Biology.

    Science.gov (United States)

    Moore, Simon J; Lai, Hung-En; Kelwick, Richard J R; Chee, Soo Mei; Bell, David J; Polizzi, Karen Marie; Freemont, Paul S

    2016-10-21

    Golden Gate cloning is a prominent DNA assembly tool in synthetic biology for the assembly of plasmid constructs often used in combinatorial pathway optimization, with a number of assembly kits developed specifically for yeast and plant-based expression. However, its use for synthetic biology in commonly used bacterial systems such as Escherichia coli has surprisingly been overlooked. Here, we introduce EcoFlex a simplified modular package of DNA parts for a variety of applications in E. coli, cell-free protein synthesis, protein purification and hierarchical assembly of transcription units based on the MoClo assembly standard. The kit features a library of constitutive promoters, T7 expression, RBS strength variants, synthetic terminators, protein purification tags and fluorescence proteins. We validate EcoFlex by assembling a 68-part containing (20 genes) plasmid (31 kb), characterize in vivo and in vitro library parts, and perform combinatorial pathway assembly, using pooled libraries of either fluorescent proteins or the biosynthetic genes for the antimicrobial pigment violacein as a proof-of-concept. To minimize pathway screening, we also introduce a secondary module design site to simplify MoClo pathway optimization. In summary, EcoFlex provides a standardized and multifunctional kit for a variety of applications in E. coli synthetic biology.

  6. MoS_2/Ag nanohybrid: A novel matrix with synergistic effect for small molecule drugs analysis by negative-ion matrix-assisted laser desorption/ionization time-of-flight mass spectrometry

    International Nuclear Information System (INIS)

    Zhao, Yaju; Deng, Guoqing; Liu, Xiaohui; Sun, Liang; Li, Hui; Cheng, Quan; Xi, Kai; Xu, Danke

    2016-01-01

    This paper reports a facile synthesis of molybdenum disulfide nanosheets/silver nanoparticles (MoS_2/Ag) hybrid and its use as an effective matrix in negative ion matrix-assisted laser desorption/ionization time-of-flight mass spectrometry (MALDI-TOF MS). The nanohybrid exerts a strong synergistic effect, leading to high performance detection of small molecule analytes including amino acids, peptides, fatty acids and drugs. The enhancement of laser desorption/ionization (LDI) efficiency is largely attributed to the high surface roughness and large surface area for analyte adsorption, better dispersibility, increased thermal conductivity and enhanced UV energy absorption as compared to pure MoS_2. Moreover, both Ag nanoparticles and the edge of the MoS_2 layers function as deprotonation sites for proton capture, facilitating the charging process in negative ion mode and promoting formation of negative ions. As a result, the MoS_2/Ag nanohybrid proves to be a highly attractive matrix in MALDI-TOF MS, with desired features such as high desorption/ionization efficiency, low fragmentation interference, high salt tolerance, and no sweet-spots for mass signal. These characteristic properties allowed for simultaneous analysis of eight different drugs and quantification of acetylsalicylic acid in the spiked human serum. This work demonstrates for the first time the fabrication and application of a novel MoS_2/Ag hybrid, and provides a new platform for use in the rapid and high throughput analysis of small molecules by mass spectrometry. - Highlights: • MoS_2/Ag nanohybrid was applied as a novel matrix in negative-ion MALDI-TOF MS. • The MoS_2/Ag nanohybrid exerted synergistic effect on the detection of small molecules. • The MoS_2/Ag nanohybrid showed good signal reproducibility and low background interferences comparing to organic matrices. • MoS_2/Ag allows simultaneous analysis of multiple drugs and quantification of acetylsalicylic acid in spiked serum samples.

  7. Ultrathin MoS2-coated Ag@Si nanosphere arrays as an efficient and stable photocathode for solar-driven hydrogen production.

    Science.gov (United States)

    Zhou, Qingwei; Su, Shaoqiang; Hu, Die; Lin, Lin; Yan, Zhibo; Gao, Xingsen; Zhang, Zhang; Liu, Jun-Ming

    2018-01-30

    Solar-driven photoelectrochemical (PEC) water splitting has attracted a great deal of attention recently. Silicon (Si) is an ideal light absorber for solar energy conversion. However, the poor stability and inefficient surface catalysis of Si photocathodes for the hydrogen evolution reaction (HER) have remained key challenges. Alternatively, MoS 2 has been reported to exhibit excellent catalysis performance if sufficient active sites for the HER are available. Here, ultrathin MoS 2 nanoflakes are directly synthesized to coat arrays of Ag-core Si-shell nanospheres (Ag@Si NSs) by using chemical vapor deposition. Due to the high surface area ratio and large curvature of these NSs, the as-grown MoS 2 nanoflakes can accommodate more active sites. In addition, the high-quality coating of MoS 2 nanoflakes on the Ag@Si NSs protects the photocathode from damage during the PEC reaction. An photocurrent density of 33.3 mA cm -2 at a voltage of -0.4 V is obtained versus the reversible hydrogen electrode. The as-prepared nanostructure as a hydrogen photocathode is evidenced to have high stability over 12 h PEC performance. This work opens up opportunities for composite photocathodes with high activity and stability using cheap and stable co-catalysts.

  8. Ultra-thin MoS2 coated Ag@Si nanosphere arrays as efficient and stable photocathode for solar-driven hydrogen production.

    Science.gov (United States)

    Zhou, Qingwei; Su, Shaoqiang; Hu, Die; Lin, Lin; Yan, Zhibo; Gao, Xingsen; Zhang, Zhang; Liu, Junming

    2018-01-02

    Solar-driven photoelectrochemical (PEC) water splitting has recently attracted much attention. Silicon (Si) is an ideal light absorber for solar energy conversion. However, the poor stability and inefficient surface catalysis of Si photocathode for hydrogen evolution reaction (HER) have been remained as the key challenges. Alternatively, MoS2 has been reported to exhibit the excellent catalysis performance if sufficient active sites for the HER are available. Here, ultra-thin MoS2 nanoflakes are directly synthesized to coat on the arrays of Ag-core Si-shell nanospheres (Ag@Si NSs) using the chemical vapor deposition (CVD). Due to the high surface area ratio and large curvature of these NSs, the as-grown MoS2 nanoflakes can accommodate more active sites. Meanwhile, the high-quality coating of MoS2 nanoflakes on the Ag@Si NSs protects the photocathode from damage during the PEC reaction. A high efficiency with a photocurrent of 33.3 mA cm-2 at a voltage of -0.4 V vs. the reversible hydrogen electrode is obtained. The as-prepared nanostructure as hydrogen photocathode is evidenced to have high stability over 12 hour PEC performance. This work opens opportunities for composite photocathode with high activity and stability using cheap and stable co-catalysts. © 2017 IOP Publishing Ltd.

  9. Performance of Tc-99m generator prepared with Mo adsorbent PZC and irradiated nature MoO3

    International Nuclear Information System (INIS)

    Liu Yishu

    2006-01-01

    This paper describes the technical process of Tc-99m generator prepared with reactor actived Mo-99 and PZC and the performance of the generator was also reported. Two generators were prepared with different batch of PZC and by different technical process. The results show that the adsorption rate was ∼65% and the adsorption efficiency of 99 Mo can be seriously affected by the adsorption process (the temperature, intensity and frequency of shaking and the PZC volume in solution etc.). The elution efficiency was 43-73%. The Mo breakthrough 1.2 - 16% without safe column and its can be decreased to be very low by connecting a hydrate zirconia (HZO) safe column. (author)

  10. Carbon potential measurement on the Mo-MoC0.47 system by methane - hydrogen equilibration

    International Nuclear Information System (INIS)

    Ananthasivan, K.; Kaliappan, I.; Chandramouli, V.; Anthonysamy, S.; Vasudeva Rao, P.R.; Mathews, C.K.

    1993-01-01

    Uranium plutonium mixed carbides are potential candidate fuel materials for liquid metal cooled fast breeder reactors. The carbon potential of the fuel is an important thermochemical property which strongly influences the carbon transport between the clad and the fuel. The carbon potential of the fuel is altered during irradiation of the fuel in the reactor. This is due to the formation of various fission products and their binary and ternary carbides. Molybdenum is a fission product with a high yield which can alter the carbon potential of the fuel. The present work forms part of our studies on the carbon potential measurements in the U - Mo - C ternary system. The carbon potential of the Mo-Mo 2 C couple measured by the methane hydrogen gas equilibration technique is presented here and the results are compared with the values cited in the literature. (author)

  11. Contaminated Sites in Iowa

    Data.gov (United States)

    Iowa State University GIS Support and Research Facility — Sites contaminated by hazardous materials or wastes. These sites are those administered by the Contaminated Sites Section of Iowa DNR. Many are sites which are...

  12. OPAL: prediction of MoRF regions in intrinsically disordered protein sequences.

    Science.gov (United States)

    Sharma, Ronesh; Raicar, Gaurav; Tsunoda, Tatsuhiko; Patil, Ashwini; Sharma, Alok

    2018-06-01

    Intrinsically disordered proteins lack stable 3-dimensional structure and play a crucial role in performing various biological functions. Key to their biological function are the molecular recognition features (MoRFs) located within long disordered regions. Computationally identifying these MoRFs from disordered protein sequences is a challenging task. In this study, we present a new MoRF predictor, OPAL, to identify MoRFs in disordered protein sequences. OPAL utilizes two independent sources of information computed using different component predictors. The scores are processed and combined using common averaging method. The first score is computed using a component MoRF predictor which utilizes composition and sequence similarity of MoRF and non-MoRF regions to detect MoRFs. The second score is calculated using half-sphere exposure (HSE), solvent accessible surface area (ASA) and backbone angle information of the disordered protein sequence, using information from the amino acid properties of flanks surrounding the MoRFs to distinguish MoRF and non-MoRF residues. OPAL is evaluated using test sets that were previously used to evaluate MoRF predictors, MoRFpred, MoRFchibi and MoRFchibi-web. The results demonstrate that OPAL outperforms all the available MoRF predictors and is the most accurate predictor available for MoRF prediction. It is available at http://www.alok-ai-lab.com/tools/opal/. ashwini@hgc.jp or alok.sharma@griffith.edu.au. Supplementary data are available at Bioinformatics online.

  13. Oxygen potential of a prototypic Mo-cermet fuel containing plutonium oxide

    Energy Technology Data Exchange (ETDEWEB)

    Miwa, Shuhei, E-mail: miwa.shuhei@jaea.go.jp [Japan Atomic Energy Agency, 4002 Narita-cho, Oarai-machi, Higashiibaraki-gun, Ibaraki, 311-1393 (Japan); Osaka, Masahiko [Japan Atomic Energy Agency, 4002 Narita-cho, Oarai-machi, Higashiibaraki-gun, Ibaraki, 311-1393 (Japan); Nozaki, Takahiro; Arima, Tatsumi; Idemitsu, Kazuya [Kyushu University, 744 Motooka Nishi-ku, Fukuoka, 819-0395 (Japan)

    2015-10-15

    Oxygen potential of a prototypic Mo-cermet fuel containing 50 vol.% PuO{sub 2−x} were investigated by the thermogravimetric analysis in the temperature range from 1273 K to 1473 K. It was shown that the oxygen potential and oxidation rate of the Mo-cermet were the same as those of pure PuO{sub 2−x} below the oxygen potential of Mo/MoO{sub 2} oxidation reaction. The same features of the Mo-cermet sample containing 50 vol.% PuO{sub 2−x} with those of pure PuO{sub 2−x} were discussed in terms of the microstructure. - Highlights: • Oxygen potential of Mo-cermet fuel was investigated by thermogravimetric analysis. • It was the same as that of pure PuO{sub 2−x} below the oxygen potential for Mo/MoO{sub 2}. • Gradual oxidation of Mo matrix occurred only above the oxygen potential for Mo/MoO{sub 2}. • Mo matrix and PuO{sub 2−x} in Mo-cermet fuel can thus be thermochemically individual.

  14. Oxygen potential of a prototypic Mo-cermet fuel containing plutonium oxide

    International Nuclear Information System (INIS)

    Miwa, Shuhei; Osaka, Masahiko; Nozaki, Takahiro; Arima, Tatsumi; Idemitsu, Kazuya

    2015-01-01

    Oxygen potential of a prototypic Mo-cermet fuel containing 50 vol.% PuO_2_−_x were investigated by the thermogravimetric analysis in the temperature range from 1273 K to 1473 K. It was shown that the oxygen potential and oxidation rate of the Mo-cermet were the same as those of pure PuO_2_−_x below the oxygen potential of Mo/MoO_2 oxidation reaction. The same features of the Mo-cermet sample containing 50 vol.% PuO_2_−_x with those of pure PuO_2_−_x were discussed in terms of the microstructure. - Highlights: • Oxygen potential of Mo-cermet fuel was investigated by thermogravimetric analysis. • It was the same as that of pure PuO_2_−_x below the oxygen potential for Mo/MoO_2. • Gradual oxidation of Mo matrix occurred only above the oxygen potential for Mo/MoO_2. • Mo matrix and PuO_2_−_x in Mo-cermet fuel can thus be thermochemically individual.

  15. Hydrothermal synthesis of 2D MoS 2 nanosheets for electrocatalytic hydrogen evolution reaction

    KAUST Repository

    Muralikrishna, S.

    2015-10-20

    Nanostructured molybdenum disulfide (MoS) is a very promising catalyst for producing molecular hydrogen by electrochemical methods. Herein, we have designed and synthesized highly electocatalytically active 2D MoS nanosheets (NS) from molybdenum trioxide (MoO) by a facile hydrothermal method and have compared their electrocatalytic activities for hydrogen evolution reaction (HER). The electrochemical characterization was performed using linear sweep voltammetry (LSV) in acidic medium. The MoS NS show a HER onset potential at about 80 mV vs. reversible hydrogen electrode (RHE) which is much lower than MoO (300 mV). The MoS NS and MoO show a current density of 25 mA cm and 0.3 mA cm, respectively at an overpotential of 280 mV vs. RHE. The MoS NS showed an 83 times higher current density when compared to MoO. The Tafel slopes of the MoS NS and MoO were about 90 mV per dec and 110 mV per dec respectively. This suggests that MoS NS are a better electrocatalyst when compared to MoO and follow the Volmer-Heyrovsky mechanism for HER.

  16. Feasibility study on mass production of (n,γ)99Mo

    International Nuclear Information System (INIS)

    Jun, Byung Jin; Tanimoto, Masataka; Kimura, Akihiro; Hori, Naohiko; Izumo, Hironobu; Tsuchiya, Kunihiko

    2011-01-01

    The world is currently suffering from a severe shortage of 99 Mo and various efforts have been given for its availability. The (n,γ) method is one of candidates for the alternative supply of 99 Mo. The only but critical shortage of (n,γ) 99 Mo is its extremely low specific activity, which gives inconveniency in the extraction of 99m Tc and is consequently converted to additional cost. Potential technologies which make the (n,γ) 99 Mo competitive by reducing the additional cost are already available. It is expected that verification of such technologies is much easy and cost effective compared to any other options known for the alternative 99 Mo production. Because Japan and Korea import all 99 Mo from long distance, the cost benefit of local (n,γ) 99 Mo production in these countries is especially large. If five high flux reactors in China, Japan and Korea are utilized for the cross backup supply of (n,γ) 99 Mo, stable availability of 99 Mo in the region can be secured. Therefore, it is necessary to evaluate its feasibility on (n,γ) 99 Mo production in the Asia region. In this report, we studied feasibility of the mass (n,γ) 99 Mo production from viewpoints of global and regional status of 99 Mo demand and supply, competitiveness with other production methods, requirements and flow of the 99 Mo, production capability, cost, convenience in usage, and alternative technologies to overcome its shortage. (author)

  17. Hydrothermal synthesis of 2D MoS 2 nanosheets for electrocatalytic hydrogen evolution reaction

    KAUST Repository

    Muralikrishna, S.; Manjunath, K.; Samrat, D.; Reddy, Viswanath; Ramakrishnappa, T.; Nagaraju, Doddahalli H.

    2015-01-01

    Nanostructured molybdenum disulfide (MoS) is a very promising catalyst for producing molecular hydrogen by electrochemical methods. Herein, we have designed and synthesized highly electocatalytically active 2D MoS nanosheets (NS) from molybdenum trioxide (MoO) by a facile hydrothermal method and have compared their electrocatalytic activities for hydrogen evolution reaction (HER). The electrochemical characterization was performed using linear sweep voltammetry (LSV) in acidic medium. The MoS NS show a HER onset potential at about 80 mV vs. reversible hydrogen electrode (RHE) which is much lower than MoO (300 mV). The MoS NS and MoO show a current density of 25 mA cm and 0.3 mA cm, respectively at an overpotential of 280 mV vs. RHE. The MoS NS showed an 83 times higher current density when compared to MoO. The Tafel slopes of the MoS NS and MoO were about 90 mV per dec and 110 mV per dec respectively. This suggests that MoS NS are a better electrocatalyst when compared to MoO and follow the Volmer-Heyrovsky mechanism for HER.

  18. Controlled formation of MoSe{sub 2} by MoN{sub x} thin film as a diffusion barrier against Se during selenization annealing for CIGS solar cell

    Energy Technology Data Exchange (ETDEWEB)

    Jeon, Chan-Wook [School of Chemical Engineering, Yeungnam University, Gyeongsangbuk-do 712-749 (Korea, Republic of); Cheon, Taehoon [School of Materials Science and Engineering, Yeungnam University, Gyeongsangbuk-do 712-749 (Korea, Republic of); Center for Core Research Facilities, DaeguGyeongbuk Institute of Science & Technology, Daegu (Korea, Republic of); Kim, Hangil [School of Materials Science and Engineering, Yeungnam University, Gyeongsangbuk-do 712-749 (Korea, Republic of); Kwon, Min-Su [School of Chemical Engineering, Yeungnam University, Gyeongsangbuk-do 712-749 (Korea, Republic of); Kim, Soo-Hyun [School of Materials Science and Engineering, Yeungnam University, Gyeongsangbuk-do 712-749 (Korea, Republic of)

    2015-09-25

    Highlights: • Mo/MoN{sub x}/Mo multilayer was investigated as a back contact for CIGS solar cell. • The MoN{sub x} protected the underlying Mo layer during high temperature selenization. • The formation of MoSe{sub 2} layer was precisely controlled. • The diffusion barrier performance of MoN{sub x} against Se was evaluated using TEM analysis. - Abstract: This study investigated the interfacial reactions and electrical properties of a Mo single layer and Mo/MoN{sub x}/Mo multilayer during high temperature selenization annealing. The Mo single layer was converted easily to MoSe{sub 2}, which was 7 times thicker than the Mo layer consumed ∼900 nm, by selenization at 460 °C for 10 min and the sheet resistance increased 8 fold compared to that of the as-deposited Mo film. On the other hand, in the Mo/MoN{sub x}/Mo structure, transmission electron microscopy (TEM) showed that the MoSe{sub 2} transformation was localized only in the top Mo layer and the bottom Mo layer was completely unaffected, even after selenization at 560 °C. The sheet resistance of the multilayer was relatively unchanged by selenization. This suggests that the MoN{sub x} layer performed well as a diffusion barrier against Se and the thickness of MoSe{sub 2} can be controlled precisely by adjusting the top Mo layer thickness. Furthermore, TEM and energy dispersive spectroscopy analysis showed that the selenized multilayer consisted of MoSe{sub 2}/Mo/MoN{sub x}/Mo, in which the top Mo layer of 60 nm was not fully converted to MoSe{sub 2} and 20 nm was left unreacted. The residual Mo interlayer located at the interface of MoSe{sub 2} and MoN{sub x} is believed to be beneficial for the ohmic contact of the selenized multilayer.

  19. Selected Properties And Tribological Wear Alloys Co-Cr-Mo And Co-Cr-Mo-W Used In Dental Prosthetics

    Directory of Open Access Journals (Sweden)

    Augustyn-Pieniążek J.

    2015-09-01

    Full Text Available The presented work provides the results of the abrasive wear resistance tests performed on Co-Cr-Mo and Co-Cr-Mo-W alloys with the use of the Miller’s apparatus. The analyzed alloys underwent microstructure observations as well as hardness measurements, and the abraded surfaces of the examined materials were observed by means of electron scanning microscopy. The performed examinations made it possible to state that the Co-Cr alloys characterized in a high hardness, whereas the changes in the mass decrement were minimal, which proved a high abrasive wear resistance.

  20. Computation of beam quality parameters for Mo/Mo, Mo/Rh, Rh/Rh, and W/Al target/filter combinations in mammography

    International Nuclear Information System (INIS)

    Kharrati, Hedi; Zarrad, Boubaker

    2003-01-01

    A computer program was implemented to predict mammography x-ray beam parameters in the range 20-40 kV for Mo/Mo, Mo/Rh, Rh/Rh, and W/Al target/filter combinations. The computation method used to simulate mammography x-ray spectra is based on the Boone et al. model. The beam quality parameters such as the half-value layer (HVL), the homogeneity coefficient (HC), and the average photon energy were computed by simulating the interaction of the spectrum photons with matter. The checking of this computation was done using a comparison of the results with published data and measured values obtained at the Netherlands Metrology Institute Van Swinden Laboratorium, National Institute of Standards and Technology, and International Atomic Energy Agency. The predicted values with a mean deviation of 3.3% of HVL, 3.7% of HC, and 1.5% of average photon energy show acceptable agreement with published data and measurements for all target/filter combinations in the 23-40 kV range. The accuracy of this computation can be considered clinically acceptable and can allow an appreciable estimation for the beam quality parameters

  1. Influence of Mo/MoSe{sub 2} microstructure on the damp heat stability of the Cu(In,Ga)Se{sub 2} back contact molybdenum

    Energy Technology Data Exchange (ETDEWEB)

    Theelen, Mirjam, E-mail: mirjam.theelen@tno.nl [TNO Solliance, Thin Film Technology, High Tech Campus 21, 5656 AE Eindhoven (Netherlands); Delft University of Technology, Photovoltaic Materials and Devices, Mekelweg 4, 2628 CD Delft (Netherlands); Harel, Sylvie [Institut des Matériaux Jean Rouxel (IMN)-UMR 6502, Université de Nantes, CNRS, 2 rue de la Houssinière, BP 32229, 44322 Nantes Cedex 3 (France); Verschuren, Melvin [TNO Solliance, Thin Film Technology, High Tech Campus 21, 5656 AE Eindhoven (Netherlands); Tomassini, Mathieu [Institut des Matériaux Jean Rouxel (IMN)-UMR 6502, Université de Nantes, CNRS, 2 rue de la Houssinière, BP 32229, 44322 Nantes Cedex 3 (France); Hovestad, Arjan [TNO Solliance, Thin Film Technology, High Tech Campus 21, 5656 AE Eindhoven (Netherlands); Barreau, Nicolas [Institut des Matériaux Jean Rouxel (IMN)-UMR 6502, Université de Nantes, CNRS, 2 rue de la Houssinière, BP 32229, 44322 Nantes Cedex 3 (France); Berkum, Jurgen van [Philips Innovation Services, High Tech Campus 11, 5656 AE Eindhoven (Netherlands); Vroon, Zeger [TNO Solliance, Thin Film Technology, High Tech Campus 21, 5656 AE Eindhoven (Netherlands); Zeman, Miro [Delft University of Technology, Photovoltaic Materials and Devices, Mekelweg 4, 2628 CD Delft (Netherlands)

    2016-08-01

    The degradation behavior of Mo/MoSe{sub 2} layers have been investigated using damp heat exposure. The two studied molybdenum based films with different densities and microstructures were obtained by lifting off Cu(In,Ga)Se{sub 2} layers from a bilayer molybdenum stack on soda lime glass. Hereby, a glass/Mo/MoSe{sub 2} was obtained, which resembles the back contact as present in Cu(In,Ga)Se{sub 2} solar cells. The samples were degraded for 150 h under standard damp heat conditions and analyzed before, during and after degradation. It was observed that the degradation resulted in the formation of needles and molybdenum oxide layers near the glass/Mo and the Mo/Cu(In,Ga)Se{sub 2} interfaces. X-ray Photoelectron Spectroscopy measurements have shown that the sodium was also present at the surface of the degraded material and it is proposed that the degraded material consists mostly of MoO{sub 3} with intercalated Na{sup +}. This element has likely migrated from the soda lime glass. This intercalation process could have led to the formation of Na{sub x}MoO{sub 3} ‘molybdenum bronze’ following this redox reaction: xNa{sup +} + MoO{sub 3} + xe{sup −} ↔ Na{sub x}MoO{sub 3} It is proposed that the formed oxide layer contains Na{sub x}MoO{sub 3} with different Na{sup +} contents and different grades of conductivity. This intercalation process can also explain the high mobility of Na{sup +} via the grain boundaries in molybdenum. It was also observed that the molybdenum film with a top layer deposited at a high pressure is more susceptible for damp heat degradation. - Highlights: • SLG/high pressure Mo/low pressure Mo/MoSe{sub 2} stacks were exposed to damp heat. • Molybdenum deposited at low pressure retained the best reflectivity and conductivity. • Damp heat exposure leads to a Na{sub x}MoO{sub 3}/Mo multilayer structure. • The Na{sub x}MoO{sub 3} probably consists of Na{sup +} intercalated in a (reduced) MoO{sub 3} matrix. • Intercalation can explain the

  2. Irradiation performance of U-Mo monolithic fuel

    Energy Technology Data Exchange (ETDEWEB)

    Meyer, M. K.; Gan, J.; Jue, J. F.; Keiser, D. D.; Perez, E.; Robinson, A.; Wachs, D. M.; Woolstenhulme, N. [Idaho National Laboratory, Idaho (Korea, Republic of); Kim, Y.S.; Hofman, G. L. [Argonne National Laboratory, Lemont (United States)

    2014-04-15

    High-performance research reactors require fuel that operates at high specific power to high fission density, but at relatively low temperatures. Research reactor fuels are designed for efficient heat rejection, and are composed of assemblies of thin-plates clad in aluminum alloy. The development of low-enriched fuels to replace high-enriched fuels for these reactors requires a substantially increased uranium density in the fuel to offset the decrease in enrichment. Very few fuel phases have been identified that have the required combination of very-high uranium density and stable fuel behavior at high burnup. U-Mo alloys represent the best known tradeoff in these properties. Testing of aluminum matrix U-Mo aluminum matrix dispersion fuel revealed a pattern of breakaway swelling behavior at intermediate burnup, related to the formation of a molybdenum stabilized high aluminum intermetallic phase that forms during irradiation. In the case of monolithic fuel, this issue was addressed by eliminating, as much as possible, the interfacial area between U-Mo and aluminum. Based on scoping irradiation test data, a fuel plate system composed of solid U-10Mo fuel meat, a zirconium diffusion barrier, and Al6061 cladding was selected for development. Developmental testing of this fuel system indicates that it meets core criteria for fuel qualification, including stable and predictable swelling behavior, mechanical integrity to high burnup, and geometric stability. In addition, the fuel exhibits robust behavior during power-cooling mismatch events under irradiation at high power.

  3. Hydrophobic Ice Confined between Graphene and MoS2

    NARCIS (Netherlands)

    Bampoulis, Pantelis; Teernstra, V.J.; Lohse, Detlef; Zandvliet, Henricus J.W.; Poelsema, Bene

    2016-01-01

    The structure and nature of water confined between hydrophobic molybdenum disulfide (MoS2) and graphene (Gr) are investigated at room temperature by means of atomic force microscopy. We find the formation of two-dimensional (2D) crystalline ice layers. In contrast to the hexagonal ice “bilayers” of

  4. Surface science models of CoMoS hydrodesulfurisation catalysts

    Energy Technology Data Exchange (ETDEWEB)

    De Jong, A.M.; De Beer, V.H.J.; Van Veen, J.A.R.; Niemantsverdriet, J.W. [Schuit Institute of Catalysis, Eindhoven University of Technology, Eindhoven (Netherlands)

    1997-07-01

    Characterization of supported catalysts with surface spectroscopic techniques is often limited due to restraints imposed by the support material. The use of flat conducting substrates as a model support offers a way to apply these techniques to their full potential. Such surface science models of silica and alumina supported CoMoS catalysts have been made by impregnating thin SiO{sub 2} and Al{sub 2}O{sub 3} films with a solution of nitrilotriacetic acid (NTA) complexes of cobalt and molybdenum. X-ray Photoelectron Spectroscopy (XPS) spectra indicate that the order in which cobalt and molybdenum transfer to the sulfided state is reversed with respect to oxidic Co and Mo systems prepared by conventional methods, implying that NTA complexation retards the sulfidation of cobalt to temperatures where MoS{sub 2} is already formed. Catalytic tests show that the CoMoS model catalysts exhibit activities for thiophene desulfurisation and product distributions similar to those of their high surface area counterparts. 25 refs.

  5. Exploring Neutron-Rich Oxygen Isotopes with MoNA

    International Nuclear Information System (INIS)

    Frank, N.; Gade, A.; Peters, W. A.; Thoennessen, M.; Baumann, T.; Bazin, D.; Lecouey, J.-L.; Scheit, H.; Schiller, A.; Brown, J.; DeYoung, P. A.; Finck, J. E.; Hinnefeld, J.; Howes, R.; Luther, B.

    2007-01-01

    The Modular Neutron Array (MoNA) was used in conjunction with a large-gap dipole magnet (Sweeper) to measure neutron-unbound states in oxygen isotopes close to the neutron dripline. While no excited states were observed in 24 O, a resonance at 45(2) keV above the neutron separation energy was observed in 23 O

  6. Cyanogen Azide. Ionization Potentials and Ab Initio SCF MO Calculation

    DEFF Research Database (Denmark)

    Bak, Börge; Jansen, Peter; Stafast, Herbert

    1975-01-01

    The Ne(I) and He(I) photoelectron(PE) spectra of cyanogen azide, NCN3, have been recorded at high resolution. Their interpretation is achieved by comparison with the PE spectrum of HN3 and an ab initio LCGO SCF MO calculation. Deviations from Koopmans' theorem of quite different magnitudes...

  7. Fission product induced swelling of U–Mo alloy fuel

    International Nuclear Information System (INIS)

    Kim, Yeon Soo; Hofman, G.L.

    2011-01-01

    Highlights: ► We measured fuel swelling of U–Mo alloy by fission products at temperatures below 250 °C. ► We quantified the swelling portion of U–Mo by fission gas bubbles. ► We developed an empirical model as a function of fission density. - Abstract: Fuel swelling of U–Mo alloy was modeled using the measured data from samples irradiated up to a fission density of ∼7 × 10 27 fissions/m 3 at temperatures below ∼250 °C. The overall fuel swelling was measured from U–Mo foils with as-fabricated thickness of 250 μm. Volume fractions occupied by fission gas bubbles were measured and fuel swelling caused by the fission gas bubbles was quantified. The portion of fuel swelling by solid fission products including solid and liquid fission products as well as fission gas atoms not enclosed in the fission gas bubbles is estimated by subtracting the portion of fuel swelling by gas bubbles from the overall fuel swelling. Empirical correlations for overall fuel swelling, swelling by gas bubbles, and swelling by solid fission products were obtained in terms of fission density.

  8. Ammonia treated Mo/AC catalysts for CO hydrogenation with ...

    Indian Academy of Sciences (India)

    A series of ammonia treated Mo/Activated Carbon (AC) catalysts were synthesized by wet impregnation method by nominal incorporation of 5, 10 and 15 wt% of molybdenum. The calcined catalysts (500◦C, 4 h, N₂ flow) were subjected to a stepwise ammonia treatment at temperatures from 25 up to 700◦C. This work ...

  9. Surface hardness behaviour of Ti–Al–Mo alloys

    Indian Academy of Sciences (India)

    Wintec

    Such a report is lacking in literature in this class of alloys. Keywords. Ti–Al–Mo alloys; microhardness; slip steps. 1. Introduction. Ti-aluminides containing α2 and γ phases with lamellar morphology are expected to possess hardness that is higher than the β and γ phases (Li and Loretto 1994). Room temperature ductility is ...

  10. RERTR progress in Mo-99 production from LEU

    Energy Technology Data Exchange (ETDEWEB)

    Vandegrift, G.F.; Conner, C.; Aase, S.; Bakel, A.; Bowers, D.; Freiberg, E.; Gelis, A.; Quigley, K.J.; Snelgrove, J.L. [Argonne National Laboratory 9700 S. Cass Avenue, Argonne, IL (United States)

    2002-07-01

    The ANL RERTR program is performing R and D supporting conversion of {sup 99}Mo production from HEU to LEU targets. Irradiation and processing of LEU targets were demonstrated at the Argentine Ezeiza Atomic Center. Target irradiation and disassembly were flawless, but the processing is not fully developed. In addition to preparing for, assisting in, and analyzing results of the demonstration, we performed other R and D related to LEU conversion: (1) designing a prototype production dissolver for digesting irradiated LEU foils in alkaline solutions and developing means to simplify digestion, (2) modifying ion-exchange columns used in the CNEA recovery and purification of {sup 99}Mo to deal with the lower volumes generated from LEU-foil digestion, (3) measuring the performance of new inorganic sorbents that outperform alumina for recovering Mo(VI) from nitric acid solutions containing high concentrations of uranium nitrate, and (4) developing means to facilitate the concentration and calcination of waste nitric-acid/LEU-nitrate solutions from {sup 99} Mo production. (author)

  11. Corrosion report for the U-Mo fuel concept

    Energy Technology Data Exchange (ETDEWEB)

    Henager, Charles H. [Pacific Northwest National Laboratory (PNNL), Richland, WA (United States); Bennett, Wendy D. [Pacific Northwest National Laboratory (PNNL), Richland, WA (United States); Doherty, Ann L. [Pacific Northwest National Laboratory (PNNL), Richland, WA (United States); Fuller, E. S. [Pacific Northwest National Laboratory (PNNL), Richland, WA (United States); Hardy, John S. [Pacific Northwest National Laboratory (PNNL), Richland, WA (United States); Omberg, Ronald P. [Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)

    2014-08-28

    The Fuel Cycle Research and Development (FCRD) program of the Office of Nuclear Energy (NE) has implemented a program to develop a Uranium-Molybdenum (U-Mo) metal fuel for Light Water Reactors (LWR)s. Uranium-Molybdenum fuel has the potential to provide superior performance based on its thermo-physical properties, which includes high thermal conductivity for less stored heat energy. With sufficient development, it may be able to provide the Light Water industry with a melt-resistant accident tolerant fuel with improved safety response. However, the corrosion of this fuel in reactor water environments needs to be further explored and optimized by additional alloying. The Pacific Northwest National Laboratory has been tasked with performing ex-reactor corrosion testing to characterize the performance of U-Mo fuel. This report documents the results of the effort to characterize and develop the U-Mo metal fuel concept for LWRs with regard to corrosion testing. The results of a simple screening test in buffered water at 30°C using surface alloyed U-10Mo is documented and discussed. The screening test was used to guide the selection of several potential alloy improvements that were found and are recommended for further testing in autoclaves to simulate PWR water conditions more closely.

  12. Management of radioactive waste from 99Mo production

    International Nuclear Information System (INIS)

    1998-11-01

    99m Tc used for labelling different pharmaceuticals is the most important radionuclide in nuclear medicine practice, and probably will continue to play this important role for the foreseeable future. 99m Tc is the short lived daughter product of the parent 99 Mo, which is mainly produced by the nuclear fission of 235 U. Recognizing the importance of the waste management issue associated with 99 Mo production the IAEA initiated preparation of this report to provide Member States and existing and potential producers of 99 Mo with practical approaches and the available information on the subject. Waste management in the context of this report encompasses all waste-related aspects, for example, handling, treatment, conditioning, storage, transport, and disposal. The document is organized in several chapters giving the following information: short description of the basic nuclear and physical properties of 99 Mo and 99m Tc; an overview of past, present and possible future production methods; characteristics of the various waste streams produced in the aforementioned processes; description of the necessary waste management practices needed to handle the relevant waste streams in a responsible and internationally-accepted manner; conclusion and recommendations

  13. Interface Structure of MoO3 on Organic Semiconductors

    Science.gov (United States)

    White, Robin T.; Thibau, Emmanuel S.; Lu, Zheng-Hong

    2016-01-01

    We have systematically studied interface structure formed by vapor-phase deposition of typical transition metal oxide MoO3 on organic semiconductors. Eight organic hole transport materials have been used in this study. Ultraviolet photoelectron spectroscopy and X-ray photoelectron spectroscopy are used to measure the evolution of the physical, chemical and electronic structure of the interfaces at various stages of MoO3 deposition on these organic semiconductor surfaces. For the interface physical structure, it is found that MoO3 diffuses into the underlying organic layer, exhibiting a trend of increasing diffusion with decreasing molecular molar mass. For the interface chemical structure, new carbon and molybdenum core-level states are observed, as a result of interfacial electron transfer from organic semiconductor to MoO3. For the interface electronic structure, energy level alignment is observed in agreement with the universal energy level alignment rule of molecules on metal oxides, despite deposition order inversion. PMID:26880185

  14. Characterization of Mo/Si multilayer growth on stepped topographies

    NARCIS (Netherlands)

    van den Boogaard, Toine; Louis, Eric; Zoethout, E.; Goldberg, K.A.; Bijkerk, Frederik

    2011-01-01

    Mo/Si multilayer mirrors with nanoscale bilayer thicknesses have been deposited on stepped substrate topographies, using various deposition angles. The multilayer morphology at the step-edge region was studied by cross section transmission electron microscopy. A transition from a continuous- to

  15. Electrical resistivity of liquid Ti, V, Mo and W

    International Nuclear Information System (INIS)

    Seydel, U.; Fucke, W.

    1980-01-01

    Electrical resistivity data for liquid Ti, V, Mo and W in the temperature range from melting to boiling are presented. The data were obtained by a fast resistive pulse heating technique based on heating small samples shaped as wires or foils in an RCL discharge circuit and simultaneously measuring temperature, volume, voltage and current. (author)

  16. Iridium Sulfide and Ir Promoted Mo Based Catalysts.

    Czech Academy of Sciences Publication Activity Database

    Vít, Zdeněk

    2007-01-01

    Roč. 322, - (2007), s. 142-151 ISSN 0926-860X R&D Projects: GA ČR(CZ) GA104/06/0870 Institutional research plan: CEZ:AV0Z40720504 Keywords : iridium sulfide * IrMo catalyst * hydrodesulfurization Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 3.166, year: 2007

  17. Magnetoresistance in molybdenite (MoS2) crystals

    International Nuclear Information System (INIS)

    Chakraborty, B.R.; Dutta, A.K.

    1975-01-01

    The principal magnetoresistance ratios of molybdenite (MoS 2 ), the naturally occurring semiconducting crystal, have been investigated at magnetic fields ranging from 4.5 KOe and within the temperature range 300 0 K to 700 0 K. Unlike some previous observations, magnetoresistance has been found to be negative. (author)

  18. Atomic displacements in dilute alloys of Cr, Nb and Mo

    Indian Academy of Sciences (India)

    physics pp. 497–514. Atomic displacements in dilute alloys of Cr, Nb and Mo ... used to calculate dynamical matrix and the impurity-induced forces up to second nearest ... origin, the lattice is strained, and the host atoms get displaced to new ...

  19. Optical spectroscopy of Eu3+ doped Th(MoO4)2

    International Nuclear Information System (INIS)

    Keskar, Meera; Phatak, Rohan; Gupta, Santhosh; Natarajan, V.

    2014-01-01

    Eu 3+ is often used as a structural probe, because of the relative simplicity of its energy-level structure and dependence on its site symmetry in the host material. The phonon energy of the host for rare-earth ions is a crucial factor to be considered for developing luminescent materials.Thorium molybdate can satisfy both low phonon energy environment for rare-earth ions and good chemical and mechanical stabilities for practical use. Thus Eu 3+ doped Th(MoO 4 ) 2 are expected to be a good promising optical materials. To the best of our knowledge, there is no report on optical spectroscopy of Eu 3+ doped thorium molybdate and thus work has been carried out and discussed in this paper

  20. EcoFlex: A Multifunctional MoClo Kit for E. coli Synthetic Biology.

    Science.gov (United States)

    Lai, Hung-En; Moore, Simon; Polizzi, Karen; Freemont, Paul

    2018-01-01

    Development of advanced synthetic biology tools is always in demand since they act as a platform technology to enable rapid prototyping of biological constructs in a high-throughput manner. EcoFlex is a modular cloning (MoClo) kit for Escherichia coli and is based on the Golden Gate principles, whereby Type IIS restriction enzymes (BsaI, BsmBI, BpiI) are used to construct modular genetic elements (biological parts) in a bottom-up approach. Here, we describe a collection of plasmids that stores various biological parts including promoters, RBSs, terminators, ORFs, and destination vectors, each encoding compatible overhangs allowing hierarchical assembly into single transcription units or a full-length polycistronic operon or biosynthetic pathway. A secondary module cloning site is also available for pathway optimization, in order to limit library size if necessary. Here, we show the utility of EcoFlex using the violacein biosynthesis pathway as an example.