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Surface species formed by the adsorption and dissociation of water molecules on Ru(0001) surface containing a small coverage of carbon atoms studied by scanning tunneling microscopy

Description: The adsorption and dissociation of water on a Ru(0001) surface containing a small amount ({le} 3 %) of carbon impurities was studied by scanning tunneling microscopy (STM). Various surface species are formed depending on the temperature. These include molecular H{sub 2}O, H{sub 2}O-C complexes, H, O, OH and CH. Clusters of either pure H{sub 2}O or mixed H{sub 2}O-OH species are also formed. Each of these species produces a characteristic contrast in the STM images and can be identified by exper… more
Date: April 26, 2008
Creator: UCB, Dept of Materials Science and Engineering
Item Type: Refine your search to only Article
Partner: UNT Libraries Government Documents Department

Intrinsic DX Centers in Ternary Chalcopyrite Semiconductors

Description: The conclusions of this report are: (1) intrinsic donor-type defects In{sub Cu}, Ga{sub Cu}, and V{sub Se}, and their complexes with V{sub Cu} cause metastability, but also act to limit V{sub OC}; (2) growth conditions which minimize these defects (Cu-rich/Se-rich) are very different from those currently used; and (3) overcoming V{sub OC} limitation requires to address other issues and trade-offs.
Date: May 1, 2008
Creator: Lany, S. & Zunger, A.
Item Type: Refine your search to only Presentation
Partner: UNT Libraries Government Documents Department
open access

Carbon Dioxide Selective Supported Ionic Liquid Membranes: The Effect of Contaminants

Description: The integrated gasification combined cycle (IGCC) is widely viewed as a promising technology for the large scale production of energy in a carbon constrained world. These cycles, which include gasification, contaminant removal, water-gas shift, CO2 capture and compression, and combustion of the reduced-carbon fuel gas in a turbine, often have significant efficiency advantages over conventional combustion technologies. A CO2 selective membrane capable of maintaining performance at conditions app… more
Date: April 1, 2008
Creator: Luebke, D. R.; Ilconich, J. B.; Myers, C. R. & Pennline, H. W.
Item Type: Refine your search to only Article
Partner: UNT Libraries Government Documents Department
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Zeaxanthin Radical Cation Formation in Minor Light-Harvesting Complexes of Higher Plant Antenna

Description: Previous work on intact thylakoid membranes showed that transient formation of a zeaxanthin radical cation was correlated with regulation of photosynthetic light-harvesting via energy-dependent quenching. A molecular mechanism for such quenching was proposed to involve charge transfer within a chlorophyll-zeaxanthin heterodimer. Using near infrared (880-1100 nm) transient absorption spectroscopy, we demonstrate that carotenoid (mainly zeaxanthin) radical cation generation occurs solely in isola… more
Date: January 31, 2008
Creator: Avenson, Thomas H.; Ahn, Tae Kyu; Zigmantas, Donatas; Niyogi, Krishna K.; Li, Zhirong; Ballottari, Matteo et al.
Item Type: Refine your search to only Article
Partner: UNT Libraries Government Documents Department
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Structure and Reactions of Carbon and Hydrogen on Ru(0001): A Scanning Tunneling Microscopy Study

Description: The interaction between carbon and hydrogen atoms on a Ru(0001) surface was studied using scanning tunneling microscopy (STM), Density Functional Theory (DFT) and STM image calculations. Formation of CH species by reaction between adsorbed H and C was observed to occur readily at 100 K. When the coverage of H increased new complexes of the form CH+nH (n = 1, 2 and 3) were observed. These complexes, never observed before, might be precursors for further hydrogenation reactions. DFT analysis reve… more
Date: September 9, 2008
Creator: Shimizu, Tomoko K.; Mugarza, Aitor; Cerda, Jorge & Salmeron, Miquel
Item Type: Refine your search to only Article
Partner: UNT Libraries Government Documents Department
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Coupling of the 4f Electrons in Lanthanide Molecules

Description: (C5Me5)2LnOTf where Ln = La, Ce, Sm, Gd, and Yb have been synthesized and these derivatives are good starting materials for the synthesis of (C5Me5)2LnX derivatives. (C5Me5)2Ln(2,2'-bipyridine), where Ln = La, Ce, Sm, and Gd, along with several methylated bipyridine analogues have been synthesized and their magnetic moments have been measured as a function of temperature. In lanthanum, cerium, and gadolinium complexes the bipyridine ligand ligand is unequivocally the radical anion, and the obse… more
Date: September 12, 2008
Creator: Kazhdan, Daniel
Item Type: Refine your search to only Thesis or Dissertation
Partner: UNT Libraries Government Documents Department
open access

Catalyzed Water Oxidation by Solar Irradiation of Band-Gap-Narrowed Semiconductors (Part 2. Overview).

Description: The objectives of this report are: (1) Investigate the catalysis of water oxidation by cobalt and manganese hydrous oxides immobilized on titania or silica nanoparticles, and dinuclear metal complexes with quinonoid ligands in order to develop a better understanding of the critical water oxidation chemistry, and rationally search for improved catalysts. (2) Optimize the light-harvesting and charge-separation abilities of stable semiconductors including both a focused effort to improve the best … more
Date: March 18, 2008
Creator: Fujita, E.; Khalifah, P.; Lymar, S.; Muckerman, J. T. & Rodriguez, J.
Item Type: Refine your search to only Article
Partner: UNT Libraries Government Documents Department
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Theoretical Studies in Heterogenous Catalysis: Towards a Rational Design of Novel Catalysts for Hydrodesulfurization and Hydrogen Production

Description: Traditionally, knowledge in heterogeneous catalysis has come through empirical research. Nowadays, there is a clear interest to change this since millions of dollars in products are generated every year in the chemical and petrochemical industries through catalytic processes. To obtain a fundamental knowledge of the factors that determine the activity of heterogeneous catalysts is a challenge for modern science since many of these systems are very complex in nature. In principle, when a molecul… more
Date: October 1, 2008
Creator: Rodriguez,J.A. & Liu, P.
Item Type: Refine your search to only Book
Partner: UNT Libraries Government Documents Department
open access

Isotope Tracer Studies of Diffusion in Sillicates and of Geological Transport Processes Using Actinide Elements

Description: The objectives were directed toward understanding the transport of chemical species in nature, with particular emphasis on aqueous transport in solution, in colloids, and on particles. Major improvements in measuring ultra-low concentrations of rare elements were achieved. We focused on two areas of studies: (1) Field, laboratory, and theoretical studies of the transport and deposition of U, Th isotopes and their daughter products in natural systems; and (2) Study of calcium isotope fractionati… more
Date: July 31, 2008
Creator: Wasserburg, Gerald J
Item Type: Refine your search to only Report
Partner: UNT Libraries Government Documents Department
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Post-Closure Inspection Report for the Tonopah Test Range, Nevada, For Calendar Year 2007

Description: This report provides the results of the semiannual post-closure inspections conducted at the closed Corrective Action Unit (CAU) sites located on the Tonopah Test Range (TTR), Nevada. This report covers calendar year 2007 and includes inspection and repair activities completed at the following nine CAUs: (1) CAU 400: Bomblet Pit and Five Points Landfill (TTR); (2) CAU 404: Roller Coaster Lagoons and Trench (TTR); (3) CAU 407: Roller Coaster RadSafe Area (TTR); (4) CAU 423: Area 3 Underground Di… more
Date: June 1, 2008
Creator: National Security Technologies, LLC
Item Type: Refine your search to only Report
Partner: UNT Libraries Government Documents Department
open access

The effect of temperature on the speciation of U(VI) in sulfate solutions

Description: Sulfate, one of the inorganic constituents that could be present in the nuclear waste repository, forms complexes with U(VI) and affects its migration in the environment. Results show that the complexation of U(VI) with sulfate is enhanced by the increase in temperature. The effect of temperature on the complexation and speciation of U(VI) in sulfate solutions is discussed.
Date: September 15, 2008
Creator: Rao, Linfeng & Tian, Guoxin
Item Type: Refine your search to only Book
Partner: UNT Libraries Government Documents Department
open access

ARCHITECTURE OF A CHARGE-TRANSFER STATE REGULATING LIGHT HARVESTING IN A PLANT ANTENNA PROTEIN

Description: Energy-dependent quenching of excess absorbed light energy (qE) is a vital mechanism for regulating photosynthetic light harvesting in higher plants. All of the physiological characteristics of qE have been positively correlated with charge-transfer between coupled chlorophyll and zeaxanthin molecules in the light-harvesting antenna of photosystem II (PSII). In this work, we present evidence for charge-transfer quenching in all three of the individual minor antenna complexes of PSII (CP29, CP26… more
Date: April 2, 2008
Creator: Fleming, Graham; Ahn, Tae Kyu; Avenson, Thomas J.; Ballottari, Matteo; Cheng, Yuan-Chung; Niyogi, Krishna K. et al.
Item Type: Refine your search to only Article
Partner: UNT Libraries Government Documents Department
open access

Surprising Coordination Geometry Differences in Ce(IV)- and Pu(IV)-Maltol Complexes

Description: As part of a study to characterize the detailed coordination behavior of Pu(IV), single crystal X-ray diffraction structures have been determined for Pu(IV) and Ce(IV) complexes with the naturally-occurring ligand maltol (3-hydroxy-2-methyl-pyran-4-one) and its derivative bromomaltol (5-bromo-3-hydroxy-2-methyl-pyran-4-one). Although Ce(IV) is generally accepted as a structural analog for Pu(IV), and the maltol complexes of these two metals are isostructural, the corresponding bromomaltol compl… more
Date: February 12, 2008
Creator: Laboratory, Lawrence Berkeley National; Raymond, Kenneth; Szigethy, Geza; Xu, Jide; Gorden, Anne E.V.; Teat, Simon J. et al.
Item Type: Refine your search to only Article
Partner: UNT Libraries Government Documents Department
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Visualization of Excitonic Structure in the Fenna-Matthews-OlsonPhotosynthetic Complex by Polarization-Dependent Two-DimensionalElectronic Spectroscopy

Description: Photosynthetic light-harvesting proceeds by the collection and highly efficient transfer of energy through a network of pigment-protein complexes. Inter-chromophore electronic couplings and interactions between pigments and the surrounding protein determine energy levels of excitonic states and dictate the mechanism of energy flow. The excitonic structure (orientation of excitonic transition dipoles) of pigment-protein complexes is generally deduced indirectly from x-ray crystallography in comb… more
Date: May 26, 2008
Creator: Department of Chemistry, The University of Chicago; Department of Biology, Department of Chemistry, Washington University; Fleming, Graham; Read, Elizabeth L.; Schlau-Cohen, Gabriela S.; Engel, Gregory S. et al.
Item Type: Refine your search to only Article
Partner: UNT Libraries Government Documents Department
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Simultaneously Bound Guests and Chiral Recognition: A Chiral Self-Assembled Supramolecular Host Encapsulates Hydrophobic Guests

Description: Driven by the hydrophobic effect, a water-soluble, chiral, self-assembled supramolecular host is able to encapsulate hydrophobic organic guests in aqueous solution. Small aromatics can be encapsulated in the supramolecular assembly, and the simultaneous encapsulation of multiple guests is observed in many cases. The molecular host assembly is able to recognize different substitutional isomers of disubstituted benzenes with ortho substitution leading to the encapsulation of two guests, but meta … more
Date: March 6, 2008
Creator: Hastings, Courtney J.; Pluth, Michael D.; Biros, Shannon M.; Bergman, Robert G. & Raymond, Kenneth N.
Item Type: Refine your search to only Article
Partner: UNT Libraries Government Documents Department
open access

Probing the Energy Transfer Dynamics of Photosynthetic Reaction Center Complexes Through Hole-Burning and Single-Complex Spectroscopy

Description: Photosynthesis is the process by which light energy is used to drive reactions that generate sugars to supply energy for cellular processes. It is one of the most important fundamental biological reactions and occurs in both prokaryotic (e.g. bacteria) and eukaryotic (e.g. plants and algae) organisms. Photosynthesis is also remarkably intricate, requiring the coordination of many different steps and reactions in order to successfully transform absorbed solar energy into a biochemical usable for… more
Date: May 1, 2008
Creator: Riley, Kerry
Item Type: Refine your search to only Thesis or Dissertation
Partner: UNT Libraries Government Documents Department
open access

Complex Hydride Compounds with Enhanced Hydrogen Storage Capacity

Description: The United Technologies Research Center (UTRC), in collaboration with major partners Albemarle Corporation (Albemarle) and the Savannah River National Laboratory (SRNL), conducted research to discover new hydride materials for the storage of hydrogen having on-board reversibility and a target gravimetric capacity of ≥ 7.5 weight percent (wt %). When integrated into a system with a reasonable efficiency of 60% (mass of hydride / total mass), this target material would produce a system gravimetri… more
Date: February 18, 2008
Creator: Mosher, Daniel A.; Opalka, Susanne M.; Tang, Xia; Laube, Bruce L.; Brown, Ronald J.; Vanderspurt, Thomas H. et al.
Item Type: Refine your search to only Report
Partner: UNT Libraries Government Documents Department
open access

Examination of Uranium(VI) Leaching During Ligand Promoted Dissolution of Waste Tank Sludge Surrogates

Description: The dissolution of synthetic boehmite (?-AlOOH) by 1-hydroxyethane-1,1-diphosphonic acid (HEDPA) was examined in a series of batch adsorption/dissolution experiments. Additionally, the leaching behavior of {sup 233}U(VI) from boehmite was examined as a function of pH and HEDPA concentration. The results are discussed in terms of sludge washing procedures that may be utilized during underground tank waste remediation. In the pH range 4 to 10, complexation of Al(III) by HEDPA significantly enhanc… more
Date: June 10, 2008
Creator: Powell, Brian; Powell, Brian A.; Rao, Linfeng & Nash, Kenneth. L.
Item Type: Refine your search to only Article
Partner: UNT Libraries Government Documents Department
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Laminin and biomimetic extracellular elasticity enhance functional differentiation in mammary epithelia

Description: In the mammary gland, epithelial cells are embedded in a 'soft' environment and become functionally differentiated in culture when exposed to a laminin-rich extracellular matrix gel. Here, we define the processes by which mammary epithelial cells integrate biochemical and mechanical extracellular cues to maintain their differentiated phenotype. We used single cells cultured on top of gels in conditions permissive for {beta}-casein expression using atomic force microscopy to measure the elastici… more
Date: October 20, 2008
Creator: Alcaraz, Jordi; Xu, Ren; Mori, Hidetoshi; Nelson, Celeste M.; Mroue, Rana; Spencer, Virginia A. et al.
Item Type: Refine your search to only Article
Partner: UNT Libraries Government Documents Department
open access

Formic Acid Dehydrogenation on Au-Based Catalysts at Near-Ambient Temperatures

Description: Formic acid (HCOOH) is a convenient hydrogen carrier in fuel cells designed for portable use. Recent studies have shown that HCOOH decomposition is catalyzed with Ru-based complexes in the aqueous phase at near-ambient temperatures. HCOOH decomposition reactions are used frequently to probe the effects of alloying and cluster size and of geometric and electronic factors in catalysis. These studies have concluded that Pt is the most active metal for HCOOH decomposition, at least as large crystal… more
Date: November 24, 2008
Creator: Ojeda, Manuel & Iglesia, Enrique
Item Type: Refine your search to only Article
Partner: UNT Libraries Government Documents Department
open access

Direct observation of photoinduced bent nitrosyl excited-state complexes

Description: Ground state structures with side-on nitrosyl ({eta}{sup 2}-NO) and isonitrosyl (ON) ligands have been observed in a variety of transition-metal complexes. In contrast, excited state structures with bent-NO ligands have been proposed for years but never directly observed. Here we use picosecond time-resolved infrared spectroscopy and density functional theory (DFT) modeling to study the photochemistry of Co(CO){sub 3}(NO), a model transition-metal-NO compound. Surprisingly, we have observed no … more
Date: June 28, 2008
Creator: Sawyer, Karma R.; Steele, Ryan P.; Glascoe, Elizabeth A.; Cahoon, James F.; Schlegel, Jacob P.; Head-Gordon, Martin et al.
Item Type: Refine your search to only Article
Partner: UNT Libraries Government Documents Department
open access

Catalyzed Water Oxidation by Solar Irradiation of Band-Gap-Narrowed Semiconductors (Part 1. Overview).

Description: The objectives of this report are: (1) Investigate the catalysis of water oxidation by cobalt and manganese hydrous oxides immobilized on titania or silica nanoparticles, and dinuclear metal complexes with quinonoid ligands in order to develop a better understanding of the critical water oxidation chemistry, and rationally search for improved catalysts. (2) Optimize the light-harvesting and charge-separation abilities of stable semiconductors including both a focused effort to improve the best … more
Date: March 18, 2008
Creator: Fujita, E.; Khalifah, P.; Lymar, S.; Muckerman, J. T. & Rodgriguez, J.
Item Type: Refine your search to only Article
Partner: UNT Libraries Government Documents Department
open access

Effects of organic carbon supply rates on mobility of previously bioreduced uranium in a contaminated sediment

Description: Bioreduction-based strategies for remediating uranium (U)-contaminated sediments face the challenge of maintaining the reduced status of U for long times. Because groundwater influxes continuously bring in oxidizing terminal electron acceptors (O{sub 2}, NO{sub 3}{sup -}), it is necessary to continue supplying organic carbon (OC) to maintain the reducing environment after U bioreduction is achieved. We tested the influence of OC supply rates on mobility of previously microbial reduced uranium U… more
Date: May 15, 2008
Creator: Wan, J.; Tokunaga, T.K.; Kim, Y.; Brodie, E.; Daly, R.; Hazen, T.C. et al.
Item Type: Refine your search to only Article
Partner: UNT Libraries Government Documents Department
open access

Reduction of pertechnetate by acetohydroxamic acid: Formation of [TcNO(AHA)2(H2O)]+ and implications for the UREX process.

Description: Reductive nitrosylation and complexation of ammonium pertechnetate by acetohydroxamic acid has been achieved in aqueous nitric and perchloric acid solutions. The kinetics of the reaction depend on the relative concentrations of the reaction components and are accelerated at higher temperatures. The reaction does not occur unless conditions are acidic. Analysis of the x-ray absorption fine structure spectroscopic data is consistent with a pseudo-octahedral geometry with the linear Tc-N-O bond ty… more
Date: February 26, 2008
Creator: 1Harry Reid Center for Environmental Studies, Nuclear Science and Technology Division, University of Nevada, Las Vegas, Las Vegas, NV, 89154-4006; Gong, Cynthia-May S; Poineau, Frederic; Lukens, Wayne W & Czerwinski, Kenneth R.
Item Type: Refine your search to only Article
Partner: UNT Libraries Government Documents Department
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