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1

TY JOUR  

NLE Websites -- All DOE Office Websites (Extended Search)

Massoud Kaviany A1 Moo Hwan Kim A1 Adam Z Weber KW degradation KW Environmental scanning electron microscope ESEM KW Freeze thaw cycle KW Membrane electrode assembly MEA KW...

2

Document (0k)  

NLE Websites -- All DOE Office Websites (Extended Search)

Massoud Kaviany, Moo Hwan Kim, and Adam Z. Weber. "Phase-change-related degradation of catalyst layers in proton-exchange-membrane fuel cells." Electrochimica Acta 95 (2013): 29-37...

3

SaeHwan Chun - Argonne National Laboratories, Materials Sicence Division  

NLE Websites -- All DOE Office Websites (Extended Search)

EM > SaeHwan Chun EM > SaeHwan Chun SaeHwan Chun SaeHwan Chun Postdoctoral Appointee Bldg. 223, S-205 Phone: 630-252-3996 This e-mail address is being protected from spambots. You need JavaScript enabled to view it. Quick Links Publications Biography SaeHwan Chun joined Argonne in February 2013 as a postdoctoral researcher. His work focuses on the study of novel magnetic ground states in 3d, 4d and 5d transition-metal oxides via single crystal growth, electrical transport, and magnetic property measurements. SaeHwan received his B. A. in Physics from the Korea Advanced Institute of Science and Technology (KAIST) in 2006 and Ph. D. in Physics from Seoul National University in 2012, advised by Prof. Kee Hoom Kim. His thesis focused on the synthesis of new multiferroic single crystals, in particular hexagonal ferrites (hexaferrites) and the electric/magnetic transport measurements of their magnetoelectric effects to realize cross-control of the electric and magnetic properties by magnetic field and electric fields, respectively. Before joining Argonne, he held a postdoctoral position in Seoul National University working with THz time domain spectroscopy to investigate electromagnons in multiferroic hexaferrites.

4

Publications  

NLE Websites -- All DOE Office Websites (Extended Search)

3 results: 3 results: BibTex RIS RTF XML Sort by: Author Title Type [ Year (Desc) ] Filters: Author is Rangachary Mukundan [Clear All Filters] 2013 Hwang, Gi Suk, Hyoungchul Kim, Roger Lujan, Rangachary Mukundan, Dusan Spernjak, Rodney L. Borup, Massoud Kaviany, Moo Hwan Kim, and Adam Z. Weber. "Phase-change-related degradation of catalyst layers in proton-exchange-membrane fuel cells." Electrochimica Acta 95 (2013): 29-37. 2012 Hussey, Daniel S., Dusan Spernjak, Adam Z. Weber, Rangachary Mukundan, Joseph Fairweather, Eric L. Brosha, John Davey, Jacob S. Spendelow, David L. Jacobson, and Rodney L. Borup. "Accurate measurement of the through-plane water content of proton-exchange membranes using neutron radiography." Journal of Applied Physics 112, no. 10 (2012): 104906.

5

Publications  

NLE Websites -- All DOE Office Websites (Extended Search)

degradation [Clear All Filters] degradation [Clear All Filters] 2013 Hwang, Gi Suk, Hyoungchul Kim, Roger Lujan, Rangachary Mukundan, Dusan Spernjak, Rodney L. Borup, Massoud Kaviany, Moo Hwan Kim, and Adam Z. Weber. "Phase-change-related degradation of catalyst layers in proton-exchange-membrane fuel cells." Electrochimica Acta 95 (2013): 29-37. 2007 Kerlau, Marie, Marek Marcinek, Venkat Srinivasan, and Robert Kostecki. "Reprint of "Studies of local degradation phenomena in composite cathodes for lithium-ion batteries"." Electrochimica Acta 53 (2007): 1385-1392. Kerlau, Marie, Marek Marcinek, Venkat Srinivasan, and Robert Kostecki. "Studies of local degradation phenomena in composite cathodes for lithium-ion batteries." Electrochimica Acta 52 (2007): 5422-5429

6

Publications  

NLE Websites -- All DOE Office Websites (Extended Search)

3 results: 3 results: BibTex RIS RTF XML Sort by: Author Title Type [ Year (Desc) ] Filters: Author is Rodney L. Borup [Clear All Filters] 2013 Hwang, Gi Suk, Hyoungchul Kim, Roger Lujan, Rangachary Mukundan, Dusan Spernjak, Rodney L. Borup, Massoud Kaviany, Moo Hwan Kim, and Adam Z. Weber. "Phase-change-related degradation of catalyst layers in proton-exchange-membrane fuel cells." Electrochimica Acta 95 (2013): 29-37. 2012 Hussey, Daniel S., Dusan Spernjak, Adam Z. Weber, Rangachary Mukundan, Joseph Fairweather, Eric L. Brosha, John Davey, Jacob S. Spendelow, David L. Jacobson, and Rodney L. Borup. "Accurate measurement of the through-plane water content of proton-exchange membranes using neutron radiography." Journal of Applied Physics 112, no. 10 (2012): 104906.

7

Publications  

NLE Websites -- All DOE Office Websites (Extended Search)

2 results: 2 results: BibTex RIS RTF XML Sort by: Author Title Type [ Year (Desc) ] Filters: Author is Dusan Spernjak [Clear All Filters] 2013 Hwang, Gi Suk, Hyoungchul Kim, Roger Lujan, Rangachary Mukundan, Dusan Spernjak, Rodney L. Borup, Massoud Kaviany, Moo Hwan Kim, and Adam Z. Weber. "Phase-change-related degradation of catalyst layers in proton-exchange-membrane fuel cells." Electrochimica Acta 95 (2013): 29-37. 2012 Hussey, Daniel S., Dusan Spernjak, Adam Z. Weber, Rangachary Mukundan, Joseph Fairweather, Eric L. Brosha, John Davey, Jacob S. Spendelow, David L. Jacobson, and Rodney L. Borup. "Accurate measurement of the through-plane water content of proton-exchange membranes using neutron radiography." Journal of Applied Physics 112, no. 10 (2012): 104906

8

A MOOS MODULE FOR MONITORING ENERGY USAGE OF AUTONOMOUS VEHICLES  

E-Print Network (OSTI)

A MOOS MODULE FOR MONITORING ENERGY USAGE OF AUTONOMOUS VEHICLES Anthony Kanago, Kevin Roos, James--Tracking the energy usage of an autonomous underwater vehicle (AUV) and making accurate data available provides especially effectively in energy-aware systems, allowing inspection vehicles (which typically travel farther

Idaho, University of

9

Gamma Log At Alum Area (Moos & Ronne, 2010) | Open Energy Information  

Open Energy Info (EERE)

Gamma Log At Alum Area (Moos & Ronne, 2010) Gamma Log At Alum Area (Moos & Ronne, 2010) Jump to: navigation, search GEOTHERMAL ENERGYGeothermal Home Exploration Activity: Gamma Log At Alum Geothermal Area (Moos & Ronne, 2010) Exploration Activity Details Location Alum Geothermal Area Exploration Technique Gamma Log Activity Date Usefulness useful DOE-funding Unknown Notes Density, photo-electric factor (PEF), neutron, and gamma ray (GR) logs provided sufficient information to clearly delineate basement lithologic variations, suggesting that pulsed neutron logs may not in many cases be needed, References Daniel Moos, Joel Ronne (2010) Selecting The Optimal Logging Suite For Geothermal Reservoir Evaluation- Results From The Alum 25-29 Well, Nevada Retrieved from "http://en.openei.org/w/index.php?title=Gamma_Log_At_Alum_Area_(Moos_%26_Ronne,_2010)&oldid=510779"

10

Neutron Log At Alum Area (Moos & Ronne, 2010) | Open Energy Information  

Open Energy Info (EERE)

Neutron Log At Alum Area (Moos & Ronne, 2010) Neutron Log At Alum Area (Moos & Ronne, 2010) Jump to: navigation, search GEOTHERMAL ENERGYGeothermal Home Exploration Activity: Neutron Log At Alum Geothermal Area (Moos & Ronne, 2010) Exploration Activity Details Location Alum Geothermal Area Exploration Technique Neutron Log Activity Date Usefulness useful DOE-funding Unknown Notes Density, photo-electric factor (PEF), neutron, and gamma ray (GR) logs provided sufficient information to clearly delineate basement lithologic variations, suggesting that pulsed neutron logs may not in many cases be needed, References Daniel Moos, Joel Ronne (2010) Selecting The Optimal Logging Suite For Geothermal Reservoir Evaluation- Results From The Alum 25-29 Well, Nevada Retrieved from "http://en.openei.org/w/index.php?title=Neutron_Log_At_Alum_Area_(Moos_%26_Ronne,_2010)&oldid=511025"

11

Role of Water States on Water Uptake and Proton Transport in Nafion using  

NLE Websites -- All DOE Office Websites (Extended Search)

Role of Water States on Water Uptake and Proton Transport in Nafion using Role of Water States on Water Uptake and Proton Transport in Nafion using Molecular Simulations and Bimodal Network Title Role of Water States on Water Uptake and Proton Transport in Nafion using Molecular Simulations and Bimodal Network Publication Type Journal Article LBNL Report Number LBNL5396E Year of Publication 2011 Authors Hwang, Gi Suk, Massoud Kaviany, Jeffrey T. Gostick, Brian L. Kienitz, Adam Z. Weber, and Moo Hwan Kim Journal Polymer Volume 52 Start Page 2584 Issue 12 Pagination 2584-2593 Date Published 05/2011 Keywords Proton conductivity, Water diffusivity, Water uptake Abstract Using molecular simulations and a bimodal-domain network, the role of water state on Nafion water uptake and water and proton transport is investigated. Although the smaller domains provide moderate transport pathways, their effectiveness remains low due to strong, resistive water molecules/domain surface interactions. The water occupancy of the larger domains yields bulk-like water, and causes the observed transition in the water uptake and significant increases in transport properties.

12

Density Log at Alum Area (Moos & Ronne, 2010) | Open Energy Information  

Open Energy Info (EERE)

Moos & Ronne, 2010) Moos & Ronne, 2010) Jump to: navigation, search GEOTHERMAL ENERGYGeothermal Home Exploration Activity: Density Log at Alum Geothermal Area (Moos & Ronne, 2010) Exploration Activity Details Location Alum Geothermal Area Exploration Technique Density Log Activity Date Usefulness useful DOE-funding Unknown Notes Density, photo-electric factor (PEF), neutron, and gamma ray (GR) logs provided sufficient information to clearly delineate basement lithologic variations, suggesting that pulsed neutron logs may not in many cases be needed, and density and electrical resistivity data were important to calibrate structural models based on surface surveys. References Daniel Moos, Joel Ronne (2010) Selecting The Optimal Logging Suite For Geothermal Reservoir Evaluation- Results From The Alum 25-29 Well,

13

Acoustic Logs At Alum Area (Moos & Ronne, 2010) | Open Energy Information  

Open Energy Info (EERE)

Acoustic Logs At Alum Geothermal Area (Moos & Ronne, Acoustic Logs At Alum Geothermal Area (Moos & Ronne, 2010) Exploration Activity Details Location Alum Geothermal Area Exploration Technique Acoustic Logs Activity Date Usefulness useful DOE-funding Unknown Notes The results revealed that acoustic images are superior to electrical images to detect structurally important natural fractures and stress-induced wellbore breakouts and tensile wall fractures, and were adequate to detect stratigraphic features. References Daniel Moos, Joel Ronne (2010) Selecting The Optimal Logging Suite For Geothermal Reservoir Evaluation- Results From The Alum 25-29 Well, Nevada Retrieved from "http://en.openei.org/w/index.php?title=Acoustic_Logs_At_Alum_Area_(Moos_%26_Ronne,_2010)&oldid=510215" Categories: Exploration Activities

14

Cross-Dipole Acoustic Log At Alum Area (Moos & Ronne, 2010) | Open Energy  

Open Energy Info (EERE)

Dipole Acoustic Log At Alum Area (Moos & Ronne, 2010) Dipole Acoustic Log At Alum Area (Moos & Ronne, 2010) Jump to: navigation, search GEOTHERMAL ENERGYGeothermal Home Exploration Activity: Cross-Dipole Acoustic Log At Alum Geothermal Area (Moos & Ronne, 2010) Exploration Activity Details Location Alum Geothermal Area Exploration Technique Cross-Dipole Acoustic Log Activity Date Usefulness useful DOE-funding Unknown Notes A crossed-dipole acoustic log detected stress induced anisotropy in the sediments, and also appeared to be able to identify and orient steeply dipping, compliant and therefore possibly conductive fractures in basement rocks. Because the shear-wave velocity was extremely low throughout most of the sedimentary section dipole data was required for its determination. The analysis results, which included a stress determination based on an

15

Resistivity Log At Alum Area (Moos & Ronne, 2010) | Open Energy Information  

Open Energy Info (EERE)

Page Page Edit History Facebook icon Twitter icon » Resistivity Log At Alum Area (Moos & Ronne, 2010) Jump to: navigation, search GEOTHERMAL ENERGYGeothermal Home Exploration Activity: Single-Well and Cross-Well Resistivity At Alum Geothermal Area (Moos & Ronne, 2010) Exploration Activity Details Location Alum Geothermal Area Exploration Technique Single-Well and Cross-Well Resistivity Activity Date Usefulness useful DOE-funding Unknown Notes Density and electrical resistivity data were important to calibrate structural models based on surface surveys. Fluid flow appeared to be concentrated beneath the detachment within an interval in which some mud losses occurred while drilling, and shallow-reading resistivity logs recorded much lower values than deeper-reading logs suggesting that

16

Phase-change-related degradation of catalyst layers in  

NLE Websites -- All DOE Office Websites (Extended Search)

Phase-change-related degradation of catalyst layers in Phase-change-related degradation of catalyst layers in proton-exchange-membrane fuel cells Title Phase-change-related degradation of catalyst layers in proton-exchange-membrane fuel cells Publication Type Journal Article Year of Publication 2013 Authors Hwang, Gi Suk, Hyoungchul Kim, Roger Lujan, Rangachary Mukundan, Dusan Spernjak, Rodney L. Borup, Massoud Kaviany, Moo Hwan Kim, and Adam Z. Weber Journal Electrochimica Acta Volume 95 Pagination 29 - 37 Date Published 4/2013 ISSN 00134686 Keywords degradation, Environmental scanning electron microscope (ESEM), Freeze/thaw cycle, Membrane electrode assembly (MEA), Nanostructured thin film (NSTF), Pt/C dispersion Abstract Understanding and optimizing water and thermal management in the catalyst layer of proton-exchange-membrane fuel cells is crucial for performance and durability improvements. This is especially the case at low temperatures, where liquid water and even ice may exist. In this article, the durability of a traditional Pt/C dispersed and a nanostructure thin film (NSTF) membrane-electrode assembly (MEA) are examined under wet/dry and freeze/thaw cycles using both in situ and ex situ experiments. Multiple isothermal cold starts result in a performance degradation for the dispersed MEA, while no such a degradation is found in the NSTF. The results are consistent with stand-alone MEA tests, wherein the dispersed catalyst layer results in an exponential increase in the number and size of cracks until it delaminates from the membrane due to the impact of the freeze/thaw process within the catalyst-layer pores. The NSTF catalyst layer shows minimal crack generation without delamination since the ice forms on top of the layer. The results are useful for understanding degradation due to phase-change containing cycles.

17

Morphology and photoluminescence of Ba0.5Sr0.5MoO4 powders by a molten salt method  

Science Conference Proceedings (OSTI)

Ba0.5Sr0.5MoO4 powders with scheelite-type tetragonal structure were successfully synthesized by a molten salt method. The structure, morphology, and luminescent property of the as-prepared powders were characterized ...

Ling Wei; Yunfei Liu; Yinong Lu; Tao Wu

2012-01-01T23:59:59.000Z

18

Impurities in a Homogeneous Electron Gas Jung-Hwan Song  

E-Print Network (OSTI)

thankful to my friends and office-mates, especially Jae-Hyuk Lee, Porn- rat Wattanakasiwich, and David

Jansen, Henri J. F.

19

Publications  

NLE Websites -- All DOE Office Websites (Extended Search)

Weber. "Phase-change-related degradation of catalyst layers in proton-exchange-membrane fuel cells." Electrochimica Acta 95 (2013): 29-37. 2011 Hwang, Gi Suk, Massoud Kaviany,...

20

Utilization of Recycled MoO3 and Mill Scale for Synthesis of High ...  

Science Conference Proceedings (OSTI)

... by ammonia gas neutralization method and reduced by hydrogen to produce a high ... Molybdenum and Nickel from Mo-Ni ore of Black Shale without Reagent.

Note: This page contains sample records for the topic "kaviany moo hwan" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


21

Center for Nanophase Materials Sciences (CNMS) - Archived CNMS...  

NLE Websites -- All DOE Office Websites (Extended Search)

HIGHLIGHTS Correlating Electronic Transport to Atomic Structures in Self-Assembled Quantum Wires Shengyong Qin,1 Tae-Hwan Kim,1 Yanning Zhang,2 Wenjie Ouyang,2 Hanno H....

22

A new material, Li2Mn2(MoO4)3 for Li-ion batteries: Synthesis and ...  

Science Conference Proceedings (OSTI)

Abstract Scope, The demand for electrically operated devices has led to a variety of ... Co-Production of Pure Hydrogen and Electricity from Coal Syngas via the...

23

Ni6Cr5MoO18: A compensated half metal predicted from first-principles  

Science Conference Proceedings (OSTI)

NiCrO3 is semiconducting. It contains six molecular units in the conventional cell. By substituting one of the six Cr atoms with Mo in the conventional cell

Jing Wang; Ningning Zu; Zhijian Wu

2013-01-01T23:59:59.000Z

24

MoO3 as combined hole injection layer and tapered spacer in combinatorial multicolor microcavity organic light emitting diodes  

SciTech Connect

Multicolor microcavity ({mu}C) organic light-emitting diode (OLED) arrays were fabricated simply by controlling the hole injection and spacer MoO{sub 3} layer thickness. The normal emission was tunable from {approx}490 to 640 nm and can be further expanded. A compact, integrated spectrometer with two-dimensional combinatorial arrays of {mu}C OLEDs was realized. The MoO{sub 3} yields more efficient and stable devices, revealing a new breakdown mechanism. The pixel current density reaches {approx}4 A/cm{sup 2} and a maximal normal brightness {approx}140 000 Cd/m{sup 2}, which improves photoluminescence-based sensing and absorption measurements.

Liu, R.; Xu, Chun; Biswas, Rana; Shinar, Joseph; Shinar, Ruth

2011-09-01T23:59:59.000Z

25

An analog characterization of the Grzegorczyk hierarchy  

E-Print Network (OSTI)

of studying computation by continuous-time dynamical systems [Moo90, Moo96, Orp97b, Orp97a, SF98, Bou99, CMC00

Lisboa, Universidade Técnica de

26

In situ X-ray Absorption Spectroscopic Investigation of the Electrochemical Conversion Reactions of CuF2-MoO3 Nanocomposite  

DOE Green Energy (OSTI)

We have used X-ray absorption spectroscopy at the Cu K-edge to investigate the electrochemical conversion reaction of 20 nm size 85 wt% CuF{sub 2}-15 wt% MoO{sub 3} nanocomposite under in situ conditions. The nanocomposite was prepared by high energy milling. Upon discharge, the lithiation reaction with the nanocomposite resulted in the formation of nanophase metallic Cu, which is consistent with the conversion of CuF{sub 2} into Cu and LiF. Based on XANES and Fourier transforms of EXAFS spectra, we show that the discharge process proceeded via the formation of highly dispersed Cu particles. Based on the coordination number of the first shell of Cu, the average size of the Cu particles was estimated to be in the 1-3 nm range in the fully discharged state.

A Mansour; F Badway; W Yoon; K Chung; G Amatucci

2011-12-31T23:59:59.000Z

27

Spin-trimer antiferromagnetism in La4Cu3MoO12 Department of Physics and Astronomy, Johns Hopkins University, Baltimore, Maryland 21218, USA  

E-Print Network (OSTI)

Research Council, Chalk River Laboratories, Chalk River, Ontario K0J 1J0, Canada Received 30 March 2005 clusters, which we shall denote trimers. Consider- ation of the crystal structure and the Goodenough rules

Broholm, Collin Leslie

28

An analog characterization of the subrecursive functions  

E-Print Network (OSTI)

[Moo90,Moo96,Orp97a,Orp97b,SF98,Bou99,CMC99], no particular set of de#12;nitions has be- come widely

Lisboa, Universidade Técnica de

29

Soft X-ray Spectroscopy of C60/Copper Phthalocyanine/MoO3 Interfaces: Role of Reduced MoO3 on Energetic Band Alignment and Improved Performance  

Science Conference Proceedings (OSTI)

The interfacial electronic structure of C{sub 60}/copper phthalocyanine (CuPc)/molybdenum trioxide (MoO{sub 3}) thin films grown in situ on indium tin oxide (ITO) substrates has been studied using synchrotron radiation-excited photoelectron spectroscopy in an attempt to understand the influence of oxide interlayers on the performance of small molecule organic photovoltaic devices. The MoO{sub 3} layer on ITO is found to significantly increase the work function of the substrate and induces large interface dipoles and band bending at the CuPc/MoO{sub 3} interface. The large band bending confirms the formation of an internal potential that assists hole extraction from the CuPc layer to the electrode. The electronic structure of the MoO{sub 3} layer on ITO was also examined using various soft X-ray spectroscopies to probe the conductive nature of the MoO{sub 3} thin film.

S Cho; L Piper; A DeMasi; A Preston; K Smith; K Chauhan; R Hatton; T Jones

2011-12-31T23:59:59.000Z

30

Water Transport in PEM Fuel Cells: Advanced Modeling, Material Selection, Testing, and Design Optimization  

NLE Websites -- All DOE Office Websites (Extended Search)

in PEM Fuel Cells: in PEM Fuel Cells: Advanced Modeling, Material Selection, Testing, and Design Optimization J. Vernon Cole and Ashok Gidwani CFDRC Prepared for: DOE Hydrogen Fuel Cell Kickoff Meeting February 13, 2007 This presentation does not contain any proprietary or confidential information. Background Water Management Issues Arise From: ƒ Generation of water by cathodic reaction ƒ Membrane humidification requirements ƒ Capillary pressure driven transport through porous MEA and GDL materials ƒ Scaling bipolar plate channel dimensions J.H. Nam and M. Kaviany, Int. J. Heat Mass Transfer, 46, pp. 4595-4611 (2003) Relevant Barriers and Targets ƒ Improved Gas Diffusion Layer, Flow Fields, Membrane Electrode Assemblies Needed to Improve Water Management: * Flooding blocks reactant transport

31

Hybrid strategy of multi-objective differential evolution H-MODE for multi-objective optimisation  

Science Conference Proceedings (OSTI)

Evolutionary multi-objective optimisation EMO algorithms are preferred for solving the multi-objective optimisation MOO problems due to their ability of producing multiple solutions in a single run. In this study, hybridisation of the traditional sequential ...

Ashish M. Gujarathi; B. V. Babu

2013-07-01T23:59:59.000Z

32

Three-dimensional batteries using a liquid cathode  

E-Print Network (OSTI)

battery since lithium ions migrate back and forth between the anode and cathodelithium ions batteries. 54 This battery, which consists of mesocarbon microbeads (MCMB) anode and MoO y S z cathode

Malati, Peter Moneir

2013-01-01T23:59:59.000Z

33

Zwicker CV FULL Aug 2013  

NLE Websites -- All DOE Office Websites (Extended Search)

A.P. Zwicker, M. Finkenthal, H.W. Moos, Analysis of Impurity Content and Transport in Tokamak Plasmas Using Low Resolution XUV Spectra, Journal of X-Ray Science and Technology, 4,...

34

An Operational Real-Time Ocean Sensor Network in the Gulf of Maine  

Science Conference Proceedings (OSTI)

The Gulf of Maine Ocean Observing System (GoMOOS) was established in the summer of 2001 as a prototype real-time observing system that now includes eleven solar-powered buoys with physical and optical sensors, four shore-based long-range HF radar surface ... Keywords: CODAR, GoMOOS, Gulf of Maine, Ocean Observing Systems, Sensor networks, neural networks, ocean optics, real-time

Neal R. Pettigrew; Collin S. Roesler; Francois Neville; Heather E. Deese

2008-03-01T23:59:59.000Z

35

Microsoft PowerPoint - IPRC Crucible and Coating materials [Compatibility Mode]  

NLE Websites -- All DOE Office Websites (Extended Search)

Historical Historical and Current Crucible Materials and the Effects on Processing Randall Fielding, Ken Marsden, Dr. Ki-Hwan Kim* Idaho National Laboratory * Korean Atomic Energy Research Institute (KAERI) 2012 International Pyroprocessing Research Conference Aug. 26 - Aug. 30, 2012 2012 IPRC Fontana, Wisconsin Aug. 26- Aug. 30, 2012 2 Outline  Introduction  Historical Coatings  Current Coatings in pyroprocessing and fuel fabrication  Conclusions/Future Plans 2012 IPRC Fontana, Wisconsin Aug. 26- Aug. 30, 2012 Introduction  Uranium melts are quite reactive and will react with many commonly used crucible materials  U-Zr melts are more reactive and further react with common crucible materials - Reduces many crucibles (oxides and others) - Dissolves graphite materials  Coatings are used to protect the crucible from interaction and in some cases from wetting

36

Oxidation, Volatilization, and Redistribution of Molybdenum from TZM Alloy in Air  

Science Conference Proceedings (OSTI)

The excellent high temperature strength and thermal conductivity of molybdenum-base alloys provide attractive features for components in advanced magnetic and inertial fusion devices. Refractory metal alloys react readily with oxygen and other gases. Oxidized molybdenum in turn is susceptible to losses from volatile molybdenum trioxide species, (MoO3)m, in air and the hydroxide, MoO2(OH)2, formed from water vapor. Transport of radioactivity by the volatilization, migration, and re-deposition of these volatile species during a potential accident involving a loss of vacuum or inert environment represents a safety issue. In this report we present experimental results on the oxidation, volatilization and re-deposition of molybdenum from TZM in flowing air between 400 and 800C. These results are compared with calculations obtained from a vaporization mass transfer model using chemical thermodynamic data for vapor pressures of MoO3(g) over pure solid MoO3 and an expression for the vapor pressures of MoO2(OH)2 from the literature. Calculations correlate well with experimental data.

Smolik, Galen Richard; Petti, David Andrew; Mccarthy, Kathryn Ann; Schuetz, Stanley Thomas

2000-01-01T23:59:59.000Z

37

A Hybrid PSO-Self Regulating VSC-SMC Controller for PV-FC-Diesel-Battery Renewable Energy Scheme for Buildings Electricity Utilization  

Science Conference Proceedings (OSTI)

The paper presents the dynamic modeling and coordinated control strategy for an integrated micro grid scheme using Photo Voltaic PV, Fuel Cell FC, and backup Diesel generation with additional battery backup system. The integrated scheme is fully stabilized ... Keywords: Diesel-driven generator, Photo Voltaic PV, Fuel Cell, Backup Battery, Dynamic Filter Compensator, Green Power Filter, Multi Objective Optimization MOO, Particle Swarm Optimization PSO

Adel M. Sharaf; Adel A. A. El-Gammal

2010-05-01T23:59:59.000Z

38

Solving interval multi-objective optimization problems using evolutionary algorithms with preference polyhedron  

Science Conference Proceedings (OSTI)

Multi-objective optimization (MOO) problems with interval parameters are popular and important in real-world applications. Previous evolutionary optimization methods aim to find a set of well-converged and evenly-distributed Pareto-optimal solutions. ... Keywords: evolutionary algorithm, interaction, interval, multi-objective optimization, preference polyhedron

Jing Sun; Dunwei Gong; Xiaoyan Sun

2011-07-01T23:59:59.000Z

39

Acknowledgements  

E-Print Network (OSTI)

This thesis is dedicated to the memory of my grandfather, Ernesto Moos (1918-2001), whose courage and insight saved his family from the fate of his generation of European Jews, and in doing so gave me the gift of life. iv

Alex Bcker; Alex Bcker

2002-01-01T23:59:59.000Z

40

Talk2Me: the art of augmenting conversations  

Science Conference Proceedings (OSTI)

This paper describes an interactive installation work set in a large dome space. The installation is an audio and physical re-rendition of an interactive writing work. In the original work, the user interacted via keyboard and screen while online. This ... Keywords: MOO, co-authoring, critical technical practices, dome, engagement, interactive installation, interactive writing, locative

Ann Morrison; Peta Mitchell; Ralf Muhlberger

2006-10-01T23:59:59.000Z

Note: This page contains sample records for the topic "kaviany moo hwan" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


41

Ultraviolet photoelectron spectroscopy of molybdenum and molybdenum monoxide anions  

E-Print Network (OSTI)

of Utah, Salt Lake City, Utah 84112 Received 30 May 1995; accepted 23 October 1995 The 351 nm photoelectron spectra of Mo and MoO have been measured. The electron affinity of atomic molybdenum is 0.748 2 e- denum monoxide illustrates these difficulties especially well, since the molybdenum atomic ground state

Lineberger, W. Carl

42

Prediction and multi-objective optimization of high-strength concrete parameters via soft computing approaches  

Science Conference Proceedings (OSTI)

The optimization of composite materials such as concrete deals with the problem of selecting the values of several variables which determine composition, compressive stress, workability and cost etc. This study presents multi-objective optimization (MOO) ... Keywords: High-strength concrete, Meta-heuristics, Multiple objective optimization, Prediction

Adil Baykaso?lu; Ahmet zta?; Erdo?an zbay

2009-04-01T23:59:59.000Z

43

Computerized Games and Simulations in Computer-Assisted Language Learning: A Meta-Analysis of Research  

Science Conference Proceedings (OSTI)

This article explores research on the use of computerized games and simulations in language education. The author examined the psycholinguistic and sociocultural constructs proposed as a basis for the use of games and simulations in computer-assisted ... Keywords: CALL, MMORPG, MOO, computer-assisted language learning, computerized game, computerized simulation, effective language learning, gaming, meta-analysis, psycholinguistic construct, research, second language acquisition, simulation, sociocultural construct, theories of language acquisition, virtual world

Mark Peterson

2010-02-01T23:59:59.000Z

44

MONTICELLO PROJECTS FEDERAL FACILITIES AGREEMENT REPORT Report...  

Office of Legacy Management (LM)

O.l0006 0,0 0.0 " 51221200<; ""' 0.00 -6938.00 12006 0 0.0 0.0 " 1292006 O,Oil 0.00 0,00 -6938.00 6MOO< 0 o.O 0,0 " 6152006 0,00 0,00 0,00 -6938,00 7312006 0 0.0...

45

Organization Organization Address Place Zip Notes Website Region  

Open Energy Info (EERE)

x America s Energy Future x America s Energy Future Maryland http www x America s Energy Future x America s Energy Future Maryland http www x25 org A View of the Rockies A View of the Rockies http www aviewoftherockies com ACORE ACORE PO Box Washington District of Columbia http www acore org AIT UNEP Regional Resource Centre for Asia and the Pacific AIT UNEP Regional Resource Centre for Asia and the Pacific rd Floor Outreach Building Moo Km http www rrcap unep org ASEAN Centre for Energy ASEAN Centre for Energy Jl HR Rasuna Said Blok X Kav Kuningan Jakarta Indonesia http www aseanenergy org African Development Bank African Development Bank Rue Joseph Anoma BP Abidjan Abidjan C te d Ivoire Ivory Coast http www afdb org en Alliance for Clean Energy New York Alliance for Clean Energy New York Washington Ave Albany New York Coalition dedicated to promoting clean

46

No I .+,o L  

Office of Legacy Management (LM)

pf- ,'46-G pf- ,'46-G 1 No I .+,o L ---+-~"~----* ARMY SERVICE FORCES UNITED STATES ENGINEER OFFICE if?GFERGaD L~'Z EID.u CGA 3ll MANHATTAN DISTRJCT D0uMm-l CHlMOO AllU orncz P. 0. BOX 6140 A CHICAGO 80. tLLlNOlS 17 October 1945 Subject: The l24th F'ield Artillery Anmy Building, Chicago, Illinois '1 \ To: The District Zugiaeer, U. S. Engineer Office, b&n&tan District, Oak Eidge, Tennessee . "-2 -\, - Attention: Contract Section Q? ( sip ( Uhder date of 15 September 1943, The University,of Chicago

47

U.S. DEPARTMENT OF ENERGY EERE PROJECT MANAGEMENT CENTER NEPA DFTFIU.llNATION  

Energy.gov (U.S. Department of Energy (DOE)) Indexed Site

DFTFIU.llNATION DFTFIU.llNATION RECIPIENT:Oregon Stale University PROJECT TITLE: National Marine Renewable Energy Center Page I of3 STATE: OR Funding Opportunity Announcement Numbu Procurement Instrument Number NEPA Control Number CID Number DE-PSJ6.0SG098030 DE-FG36-08G018179.MOO2 GFO-G018179-003 G018179 Based on my review urlhe information concerning the proposed action, as NEPA Compliance Offien (authorized under DOE Order 4Sl.1A). I have made the following determination: ex, EA, EIS APPENDIX AND NUMBER: Description: A9 Information gathering (including, but nollimiled 10, literature surveys, inventories, audits). data analysis (including ' oompuler modeling), document preparation (such as conceptual design or feasibility studies, analytical energy supply

48

State of Kuwait Ministry of Oil | Open Energy Information  

Open Energy Info (EERE)

State of Kuwait Ministry of Oil State of Kuwait Ministry of Oil Jump to: navigation, search Logo: State of Kuwait Ministry of Oil Country Kuwait Name State of Kuwait Ministry of Oil City Kuwait City, Kuwait Website http://www.moo.gov.kw/ Coordinates 29.3697222°, 47.9783333° Loading map... {"minzoom":false,"mappingservice":"googlemaps3","type":"ROADMAP","zoom":14,"types":["ROADMAP","SATELLITE","HYBRID","TERRAIN"],"geoservice":"google","maxzoom":false,"width":"600px","height":"350px","centre":false,"title":"","label":"","icon":"","visitedicon":"","lines":[],"polygons":[],"circles":[],"rectangles":[],"copycoords":false,"static":false,"wmsoverlay":"","layers":[],"controls":["pan","zoom","type","scale","streetview"],"zoomstyle":"DEFAULT","typestyle":"DEFAULT","autoinfowindows":false,"kml":[],"gkml":[],"fusiontables":[],"resizable":false,"tilt":0,"kmlrezoom":false,"poi":true,"imageoverlays":[],"markercluster":false,"searchmarkers":"","locations":[{"text":"","title":"","link":null,"lat":29.3697222,"lon":47.9783333,"alt":0,"address":"","icon":"","group":"","inlineLabel":"","visitedicon":""}]}

49

QR, I UNITED STA-I' ES ATOMIC ENERGY COMMISSION W~I-WdOTDN 2B. D. D.  

Office of Legacy Management (LM)

QR, I QR, I UNITED STA-I' ES ATOMIC ENERGY COMMISSION W~I-WdOTDN 2B. D. D. h-cc I./, ~.C,.dL c rj' f' . 5 7c 3 70-147 LRL:JCD I JAN 2 81958 K+ci; q;- 2-i" Oregon Metellurgical Corporation P. 0. Box 484 Albeny, Oregon Attention: Mr. Stephen M. Shelton General Manager Gentlemen: Enclosed is Special Nuclear Material License No. SNM-144, as amended. Very Ebuly yours, !:. i.:, s p~pt 'SC- Lyall Johnson Chief, Licensing Branch Division of Licensing & Regulation Enclosure: SNM-144, as amended Distribution: =-MOO Attn: Dr. H.M.Roth DFNusser NMM MMMann INS JCRyan FIN (2) HSteele LRL SRGustavson LRL Document room Formal file Suppl. file Br & Div rf' s .- T' ' :f, - . UNITED STATES ATOMIC ENERGY COMMISSION SPECIAL NUCLEAR MATERIAL LlCENSE Pursuant to the Atomic Energy Act of 1954 and Title 10, Code of Federal Regulations, Chapter

50

Continuous culture in combined backmix-plug-flow-tubular-loop fermentor configurations  

SciTech Connect

Several combinations of backmix, tubular-loop, and plug-flow fermentors with and without culture recycle were studied by computer simulations. The steady-state concentrations of cell mass in a continuous culture were calculated as a function of dilution rate using Monod growth kinetics. It was found theoretically and verified for one case experimentally that the maximum dilution rate, over which microbial cells were washed out from the fermentor, could be elevated well beyond the maximum specific growth rate if a particular fermentor combination was used. A combination of two backmix fermentors has been analyzed previously by Sinclair and Brown. Application of this type of fermentor combination as a seed tank for performing continuous culture of microbes in a plug-flow reactor was shown with special reference to fermentation production using the kinetics proposed by Luedeking and Piret, van Dedem and Moo-Young, and Brown and Vass. (Refs. 11).

Toda, K.; Dunn, I.J.

1982-03-01T23:59:59.000Z

51

UNITED STATES D E P - OF TEE INTERIOR C  

Office of Legacy Management (LM)

TEI -764 TEI -764 Nuclear $xplosions --Peaceful Applications 316858 UNITED STATES D E P - OF TEE INTERIOR C z E O L o G I C A L SURVEY S U P P ~ A R Y RFFORT ON G E O L O G I C INVESTIGATIONS I N S U P P O R T O F PHASE 11, PROJECT C E W i R I C C IN THE VICINITY O F CAPE THCIMPSOIV, NOR!FE~~ESTERN ALASKA* Eeuben Kachadwrian, A. H1 Zachenbmch, G. W. Moo~e, and R. M. lhller This report is preliminary an8 has not been edited for conformity with Geological Survey format and nomenclature, b Whis report concerns work done on behalf of San Francisco Operations Office, U . S . Atomic Energy Ccmnnission. June 1 g 0 DISCLAIMER Portions of this document may be illegible in electronic image products. Images are produced from the best available original document. rJIJh?l%D STATE33 D E P A R M OF THE ImERIOR G E O L O

52

Image  

NLE Websites -- All DOE Office Websites (Extended Search)

CONTRACT!D CODE IPAU!£ 0, PAGeS 1 10 Z, AMENOMENT/MOO[PICATIQN NO, 3, EFI'tECT!Va DATE 4. REQU!SmoNtPuRCHASE'REQ. NO. 15, PROJECT NO. ("appllen!)I,,) 178. See BIQC¥ 16C 1080008480 6: I$SueD- BY COOE 00518 7. ADMINJSTERED ay lffothOrffum Item 6) CODE 100518 Oak Rl.

53

Layered Atom Arrangements in Complex Materials  

Science Conference Proceedings (OSTI)

In this report, we develop an atom layer stacking model to describe systematically the crystal structures of complex materials. To illustrate the concepts, we consider a sequence of oxide compounds in which the metal cations progress in oxidation state from monovalent (M{sup 1+}) to tetravalent (M{sup 4+}). We use concepts relating to geometric subdivisions of a triangular atom net to describe the layered atom patterns in these compounds (concepts originally proposed by Shuichi Iida). We demonstrate that as a function of increasing oxidation state (from M{sup 1+} to M{sup 4+}), the layer stacking motifs used to generate each successive structure (specifically, motifs along a 3 symmetry axis), progress through the following sequence: MMO, MO, M{sub r}O, MO{sub r/s}O{sub u/v}, MOO (where M and O represent fully dense triangular atom nets and r/s and u/v are fractions used to describe partially filled triangular atom nets). We also develop complete crystallographic descriptions for the compounds in our oxidation sequence using trigonal space group R{bar 3}.

K.E. Sikafus; R.W.Grimes; S.M.Corish; A.R. Cleave; M.Tang; C.R.Stanek; B.P. Uberuaga; J.A.Valdez

2005-04-15T23:59:59.000Z

54

ZINC MITIGATION INTERIM REPORT - THERMODYNAMIC STUDY  

Science Conference Proceedings (OSTI)

An experimental program was initiated in order to develop and validate conditions that will effectively trap Zn vapors that are released during extraction. The proposed work is broken down into three tasks. The first task is to determine the effectiveness of various pore sizes of filter elements. The second task is to determine the effect of filter temperature on zinc vapor deposition. The final task is to determine whether the zinc vapors can be chemically bound. The approach for chemically binding the zinc vapors has two subtasks, the first is a review of literature and thermodynamic calculations and the second is an experimental approach using the best candidates. This report details the results of the thermodynamic calculations to determine feasibility of chemically binding the zinc vapors within the furnace module, specifically the lithium trap (1). A review of phase diagrams, literature, and thermodynamic calculations was conducted to determine if there are suitable materials to capture zinc vapor within the lithium trap of the extraction basket. While numerous elements exist that form compounds with zinc, many of these also form compounds with hydrogen or the water that is present in the TPBARs. This relatively comprehensive review of available data indicates that elemental cobalt and copper and molybdenum trioxide (MoO3) may have the requisite properties to capture zinc and yet not be adversely affected by the extraction gases and should be considered for testing.

Korinko, P.

2010-12-17T23:59:59.000Z

55

AIT-UNEP Regional Resource Centre for Asia and the Pacific | Open Energy  

Open Energy Info (EERE)

AIT-UNEP Regional Resource Centre for Asia and the Pacific AIT-UNEP Regional Resource Centre for Asia and the Pacific Jump to: navigation, search Logo: AIT-UNEP Regional Resource Centre for Asia and the Pacific Name AIT-UNEP Regional Resource Centre for Asia and the Pacific Address 3rd Floor Outreach Building 58 Moo 9, Km 42 Phone number (66-2)516-2124, 524-5365 Website http://www.rrcap.unep.org Coordinates 14.0033913°, 100.6647101° Loading map... {"minzoom":false,"mappingservice":"googlemaps3","type":"ROADMAP","zoom":14,"types":["ROADMAP","SATELLITE","HYBRID","TERRAIN"],"geoservice":"google","maxzoom":false,"width":"600px","height":"350px","centre":false,"title":"","label":"","icon":"","visitedicon":"","lines":[],"polygons":[],"circles":[],"rectangles":[],"copycoords":false,"static":false,"wmsoverlay":"","layers":[],"controls":["pan","zoom","type","scale","streetview"],"zoomstyle":"DEFAULT","typestyle":"DEFAULT","autoinfowindows":false,"kml":[],"gkml":[],"fusiontables":[],"resizable":false,"tilt":0,"kmlrezoom":false,"poi":true,"imageoverlays":[],"markercluster":false,"searchmarkers":"","locations":[{"text":"","title":"","link":null,"lat":14.0033913,"lon":100.6647101,"alt":0,"address":"","icon":"","group":"","inlineLabel":"","visitedicon":""}]}

56

ALD of Al2O3 for Highly Improved Performance in Li-Ion Batteries  

Science Conference Proceedings (OSTI)

Significant advances in energy density, rate capability and safety will be required for the implementation of Li-ion batteries in next generation electric vehicles. We have demonstrated atomic layer deposition (ALD) as a promising method to enable superior cycling performance for a vast variety of battery electrodes. The electrodes range from already demonstrated commercial technologies (cycled under extreme conditions) to new materials that could eventually lead to batteries with higher energy densities. For example, an Al2O3 ALD coating with a thickness of ~ 8 A was able to stabilize the cycling of unexplored MoO3 nanoparticle anodes with a high volume expansion. The ALD coating enabled stable cycling at C/2 with a capacity of ~ 900 mAh/g. Furthermore, rate capability studies showed the ALD-coated electrode maintained a capacity of 600 mAh/g at 5C. For uncoated electrodes it was only possible to observe stable cycling at C/10. Also, we recently reported that a thin ALD Al2O3 coating with a thickness of ~5 A can enable natural graphite (NG) electrodes to exhibit remarkably durable cycling at 50 degrees C. The ALD-coated NG electrodes displayed a 98% capacity retention after 200 charge-discharge cycles. In contrast, bare NG showed a rapid decay. Additionally, Al2O3 ALD films with a thickness of 2 to 4 A have been shown to allow LiCoO2 to exhibit 89% capacity retention after 120 charge-discharge cycles performed up to 4.5 V vs Li/Li+. Bare LiCoO2 rapidly deteriorated in the first few cycles. The capacity fade is likely caused by oxidative decomposition of the electrolyte at higher potentials or perhaps cobalt dissolution. Interestingly, we have recently fabricated full cells of NG and LiCoO2 where we coated both electrodes, one or the other electrode as well as neither electrode. In creating these full cells, we observed some surprising results that lead us to obtain a greater understanding of the ALD coatings. We have also recently coated a binder free LiNi0.04Mn0.04Co02O2 electrode containing 5 wt% single-walled carbon nanotubes as the conductive additive and demonstrated both high rate capability as well as the ability to cycle the cathode to 5 V vrs. Li/Li+. Finally, we coated a Celgard (TM) separator and enabled stable cycling in a high dielectric electrolyte. These results will be presented in detail.

Dillon, A.; Jung, Y. S.; Ban, C.; Riley, L.; Cavanagh, A.; Yan, Y.; George, S.; Lee, S. H.

2012-01-01T23:59:59.000Z

57

On the Reaction Mechanism of Acetaldehyde Decomposition on Mo(110)  

Science Conference Proceedings (OSTI)

The strong Mo-O bond strength provides promising reactivity of Mo-based catalysts for the deoxygenation of biomass-derived oxygenates. Combining the novel dimer saddle point searching method with periodic spin-polarized density functional theory calculations, we investigated the reaction pathways of a acetaldehyde decomposition on the clean Mo(110) surface. Two reaction pathways were identified, a selective deoxygenation and a nonselective fragmentation pathways. We found that acetaldehyde preferentially adsorbs at the pseudo 3-fold hollow site in the ?2(C,O) configuration on Mo(110). Among four possible bond (?-C-H, ?-C-H, C-O and C-C) cleavages, the initial decomposition of the adsorbed acetaldehyde produces either ethylidene via the C-O bond scission or acetyl via the ?-C-H bond scission while the C-C and the ?-C-H bond cleavages of acetaldehyde leading to the formation of methyl (and formyl) and formylmethyl are unlikely. Further dehydrogenations of ethylidene into either ethylidyne or vinyl are competing and very facile with low activation barriers of 0.24 and 0.31 eV, respectively. Concurrently, the formed acetyl would deoxygenate into ethylidyne via the C-O cleavage rather than breaking the C-C or the C-H bonds. The selective deoxygenation of acetaldehyde forming ethylene is inhibited by relatively weaker hydrogenation capability of the Mo(110) surface. Instead, the nonselective pathway via vinyl and vinylidene dehydrogenations to ethynyl as the final hydrocarbon fragment is kinetically favorable. On the other hand, the strong interaction between ethylene and the Mo(110) surface also leads to ethylene decomposition instead of desorption into the gas phase. This work was financially supported by the National Advanced Biofuels Consortium (NABC). Computing time was granted by a user project (emsl42292) at the Molecular Science Computing Facility in the William R. Wiley Environmental Molecular Sciences Laboratory (EMSL). This work was financially supported by the National Advanced Biofuels Consortium (NABC). Computing time was granted by a user project (emsl42292) at the Molecular Science Computing Facility in the William R. Wiley Environmental Molecular Sciences Laboratory (EMSL). The EMSL is a U.S. Department of Energy (DOE) national scientific user facility located at Pacific Northwest National Laboratory (PNNL) and supported by the DOE Office of Biological and Environmental Research. Pacific Northwest National Laboratory is operated by Battelle for the U.S. Department of Energy.

Mei, Donghai; Karim, Ayman M.; Wang, Yong

2012-02-16T23:59:59.000Z

58

Propane ammoxidation over the Mo-V-Te-Nb-O M1 phase: Reactivity of surface cations in hydrogen abstraction steps  

Science Conference Proceedings (OSTI)

Density functional theory calculations (GGA-PBE) have been performed to investigate the adsorption of C3 (propane, isopropyl, propene, and allyl) and H species on the proposed active center present in the surface ab planes of the bulk Mo-V-Te-Nb-O M1 phase in order to better understand the roles of the different surface cations in propane ammoxidation. Modified cluster models were employed to isolate the closely spaced V=O and Te=O from each other and to vary the oxidation state of the V cation. While propane and propene adsorb with nearly zero adsorption energy, the isopropyl and allyl radicals bind strongly to V=O and Te=O with adsorption energies, {Delta}E, being {le} -1.75 eV, but appreciably more weakly on other sites, such as Mo=O, bridging oxygen (Mo-O-V and Mo-O-Mo), and empty metal apical sites ({Delta}E > -1 eV). Atomic H binds more strongly to Te = O ({Delta}E {le} -3 eV) than to all the other sites, including V = O ({Delta}E = -2.59 eV). The reduction of surface oxo groups by dissociated H and their removal as water are thermodynamically favorable except when both H atoms are bonded to the same Te=O. Consistent with the strong binding of H, Te=O is markedly more active at abstracting the methylene H from propane (E{sub a} {le} 1.01 eV) than V = O (E{sub a} = 1.70 eV on V{sup 5+} = O and 2.13 eV on V{sup 4+} = O). The higher-than-observed activity and the loose binding of Te = O moieties to the mixed metal oxide lattice of M1 raise the question of whether active Te = O groups are in fact present in the surface ab planes of the M1 phase under propane ammoxidation conditions.

Muthukumar, Kaliappan [University of Cincinnati; Yu, Junjun [University of Cincinnati; Xu, Ye [ORNL; Guliants, Vadim V. [University of Cincinnati

2011-01-01T23:59:59.000Z

59

Preparation and structural study from neutron diffraction data of Pr{sub 5}Mo{sub 3}O{sub 16}  

SciTech Connect

The title compound has been prepared as polycrystalline powder by thermal treatments of mixtures of Pr{sub 6}O{sub 11} and MoO{sub 2} in air. In the literature, an oxide with a composition Pr{sub 2}MoO{sub 6} has been formerly described to present interesting catalytic properties, but its true stoichiometry and crystal structure are reported here for the first time. It is cubic, isostructural with CdTm{sub 4}Mo{sub 3}O{sub 16} (space group Pn-3n, Z=8), with a=11.0897(1) A. The structure contains MoO{sub 4} tetrahedral units, with Mo-O distances of 1.788(2) A, fully long-range ordered with PrO{sub 8} polyhedra; in fact it can be considered as a superstructure of fluorite (M{sub 8}O{sub 16}), containing 32 MO{sub 2} fluorite formulae per unit cell, with a lattice parameter related to that of cubic fluorite (a{sub f}=5.5 A) as a{approx}2a{sub f}. A bond valence study indicates that Mo exhibits a mixed oxidation state between 5+ and 6+ (perhaps accounting for the excellent catalytic properties). One kind of Pr atoms is trivalent whereas the second presents a mixed Pr{sup 3+}-Pr{sup 4+} oxidation state. The similarity of the XRD pattern with that published for Ce{sub 2}MoO{sub 6} suggests that this compound also belongs to the same structural type, with an actual stoichiometry Ce{sub 5}Mo{sub 3}O{sub 16}. -- Graphical Abstract: Formerly formulated as Pr{sub 2}MoO{sub 6}, the title compound is a cubic superstructure of fluorite (a=11.0897(1) A, space group Pn-3n) due to the long-range ordering of PrO{sub 8} scalenohedra and MoO{sub 4} tetrahedral units, showing noticeable shifts of the oxygen positions in order to provide a tetrahedral coordination for Mo ions. A mixed valence Mo{sup 5+}-Mo{sup 6+} is identified, which could account for the excellent catalytic properties of this material. Display Omitted

Martinez-Lope, M.J. [Instituto de Ciencia de Materiales de Madrid, C.S.I.C., Cantoblanco, E-28049 Madrid, Spain. (Spain); Alonso, J.A., E-mail: ja.alonso@icmm.csic.e [Instituto de Ciencia de Materiales de Madrid, C.S.I.C., Cantoblanco, E-28049 Madrid, Spain. (Spain); Sheptyakov, D.; Pomjakushin, V. [Laboratory for Neutron Scattering, Paul Scherrer Institut, CH-5232 Villigen PSI (Switzerland)

2010-12-15T23:59:59.000Z