Research Project on CO2 Geological Storage and Groundwater Resources: Water Quality Effects Caused by CO2 Intrusion into Shallow Groundwater

Energy Technology Data Exchange (ETDEWEB)

Birkholzer, Jens; Apps, John; Zheng, Liange; Zhang, Yingqi; Xu, Tianfu; Tsang, Chin-Fu

2008-10-01

One promising approach to reduce greenhouse gas emissions is injecting CO{sub 2} into suitable geologic formations, typically depleted oil/gas reservoirs or saline formations at depth larger than 800 m. Proper site selection and management of CO{sub 2} storage projects will ensure that the risks to human health and the environment are low. However, a risk remains that CO{sub 2} could migrate from a deep storage formation, e.g. via local high-permeability pathways such as permeable faults or degraded wells, and arrive in shallow groundwater resources. The ingress of CO{sub 2} is by itself not typically a concern to the water quality of an underground source of drinking water (USDW), but it will change the geochemical conditions in the aquifer and will cause secondary effects mainly induced by changes in pH, in particular the mobilization of hazardous inorganic constituents present in the aquifer minerals. Identification and assessment of these potential effects is necessary to analyze risks associated with geologic sequestration of CO{sub 2}. This report describes a systematic evaluation of the possible water quality changes in response to CO{sub 2} intrusion into aquifers currently used as sources of potable water in the United States. Our goal was to develop a general understanding of the potential vulnerability of United States potable groundwater resources in the event of CO{sub 2} leakage. This goal was achieved in two main tasks, the first to develop a comprehensive geochemical model representing typical conditions in many freshwater aquifers (Section 3), the second to conduct a systematic reactive-transport modeling study to quantify the effect of CO{sub 2} intrusion into shallow aquifers (Section 4). Via reactive-transport modeling, the amount of hazardous constituents potentially mobilized by the ingress of CO{sub 2} was determined, the fate and migration of these constituents in the groundwater was predicted, and the likelihood that drinking water

Electron capture into the n = 3 states of hydrogen by proton impact on CO, CO2, and N2O

International Nuclear Information System (INIS)

Loyd, D.H.; Dawson, H.R.

1979-01-01

Absolute cross sections for electron capture into the 3s, 3p, and 3d states of hydrogen have been measured for 2.2--8.2-keV proton impact on CO, CO 2 , and N 2 O. The relative magnitudes of the 3s, 3p, and 3d cross sections for CO are very similar to cross sections previously measured for elemental gases. The CO 2 and N 2 O cross sections have a very different relative distribution among the 3s, 3p, and 3d states compared to all other gases studied in this laboratory, with the 3p cross section being so small that only an estimate of the upper limit to the cross section was possible

Electron collisions with F2CO molecules

Science.gov (United States)

Freitas, Thiago Corrêa; Barbosa, Alessandra Souza; Bettega, Márcio Henrique Franco

2017-07-01

In this paper we present elastic differential, integral, and momentum-transfer cross sections for electron collisions with carbonyl fluoride (F2CO ) molecules for the incident electron's energy from 0.5 eV to 20 eV. The Schwinger multichannel method with pseudopotentials was employed to obtain the cross sections in the static-exchange and static-exchange plus polarization approximations. The present results were compared with the available data in the literature, in particular, with the results of Kaur, Mason, and Antony [Phys. Rev. A 92, 052702 (2015), 10.1103/PhysRevA.92.052702] for the differential, total, and momentum-transfer cross sections. We have found a π* shape resonance centered at 2.6 eV in the B1 symmetry and other resonance, in the B2 symmetry, located at around 9.7 eV. A systematic study of the inclusion of polarization effects was performed in order to have a well balanced description of this negative-ion transient state. The effects of the long-range electric dipole potential were included by the Born closure scheme. Electronic structure calculations were also performed to help in the interpretation of the scattering results, and associate the transient states to the unoccupied orbitals.

The Electronic Structure Signature of the Spin Cross-Over Transition of [Co(dpzca)2

Science.gov (United States)

Zhang, Xin; Mu, Sai; Liu, Yang; Luo, Jian; Zhang, Jian; N'Diaye, Alpha T.; Enders, Axel; Dowben, Peter A.

2018-05-01

The unoccupied electronic structure of the spin crossover molecule cobalt (II) N-(2-pyrazylcarbonyl)-2-pyrazinecarboxamide, [Co(dpzca)2] was investigated, using X-ray absorption spectroscopy (XAS) and compared with magnetometry (SQUID) measurements. The temperature dependence of the XAS and molecular magnetic susceptibility χmT are in general agreement for [Co(dpzca)2], and consistent with density functional theory (DFT). This agreement of magnetic susceptibility and X-ray absorption spectroscopy provides strong evidence that the changes in magnetic moment can be ascribed to changes in electronic structure. Calculations show the choice of Coulomb correlation energy U has a profound effect on the electronic structure of the low spin state, but has little influence on the electronic structure of the high spin state. In the temperature dependence of the XAS, there is also evidence of an X-ray induced excited state trapping for [Co(dpzca)2] at 15 K.

Electron-beam sustained glow discharge in a N{sub 2}+CO gas mixture at cryogenic temperature

Energy Technology Data Exchange (ETDEWEB)

Azharonok, V V; Filatova, I I; Chubrik, N I; Shimanovich, V D [Belarussian Academy of Sciences, Minsk (Belarus). Inst. of Molecular and Atomic Physics; Gurashvili, V A; Kuzmin, V N; Turkin, N G; Vaselenok, A A [Troitsk Institute of Innovative and Fusion Research (Russian Federation)

1997-12-31

A quasi-continuum electron-beam sustained glow discharge in a flow of N{sub 2} + CO gas mixture at cryogenic temperature was studied by emission spectroscopy. The effective values of electron-ion recombination and rate of electron adhesion to electronegative molecules (Fe(CO){sub 5}, Ni(CO){sub 4}, H{sub 2}O) present in the discharge were determined in dependence on the reduced electric field strength E/N. (author). 1 tab., 2 figs., 5 refs.

Excitation of the 4.3-μm bands of CO2 by low-energy electrons

International Nuclear Information System (INIS)

Bulos, R.R.; Phelps, A.V.

1976-01-01

Rate coefficients for the excitation of the 4.3-μm bands of CO 2 by low-energy electrons in CO 2 have been measured using a drift-tube technique. The CO 2 density [(1.5 to 7) x 10 17 molecules/cm 3 ] was chosen to maximize the radiation reaching the detector. Line-by-line transmission calculations were used to take into account the absorption of 4.3-μm radiation. A small fraction of the approximately 10 -8 W of the 4.3-μm radiation produced by the approximately 10 -7 -A electron current was incident on an InSb photovoltaic detector. The detector calibration and absorption calculations were checked by measuring the readily calculated excitation coefficients for vibrational excitation of N 2 containing a small concentration of CO 2 . For pure CO 2 the number of molecules capable of emitting 4.3-μm radiation produced per cm of electron drift and per CO 2 molecule varied from 10 -17 cm -2 at E/N = 6 x 10 -17 V cm 2 to 5.4 x 10 -16 cm -2 at E/N = 4 x 10 -16 V cm 2 . Here E is the electric field and N is total gas density. The excitation coefficients at lower E/N are much larger than estimated previously. A set of vibrational excitation cross sections is obtained for CO 2 which is consistent with the excitation coefficient data and with most of the published electron-beam data

Electronic structures and stability of Ni/Bi2Te3 and Co/Bi2Te3 interfaces

International Nuclear Information System (INIS)

Xiong Ka; Wang Weichao; Alshareef, Husam N; Gupta, Rahul P; Gnade, Bruce E; Cho, Kyeongjae; White, John B

2010-01-01

We investigate the electronic structures and stability for Ni/Bi 2 Te 3 , NiTe/Bi 2 Te 3 , Co/Bi 2 Te 3 and CoTe 2 /Bi 2 Te 3 interfaces by first-principles calculations. It is found that the surface termination strongly affects the band alignment. Ni and Co are found to form Ohmic contacts to Bi 2 Te 3 . The interface formation energy for Co/Bi 2 Te 3 interfaces is much lower than that of Ni/Bi 2 Te 3 interfaces. Furthermore, we found that NiTe on Bi 2 Te 3 is more stable than Ni, while the formation energies for Co and CoTe 2 on Bi 2 Te 3 are comparable.

Electron beam interactions with CO on W[100] studied by Auger electron spectroscopy

International Nuclear Information System (INIS)

Housley, M.; King, D.A.

1977-01-01

The interaction of 2500 eV electrons with carbon monoxide chemisorbed on tungsten [100] was investigated by rapid-scan Auger electron spectroscopy. When no α state was present the O and C signals from the β state of CO were invariant during electron bombardment, giving an upper limit estimate for the electron stimulated desorption cross section, Qsub(β), of 2 x 10 -21 cm 2 . With the crystal at room temperature and saturated with CO, however, electron-beam induced accumulation of carbon was observed and characterised, the rate of the process being independent of CO pressure at pressures above 2 x 10 -8 Torr. At 450 K the rate was found to be pressure dependent up to at least 6 x 10 -7 Torr. A model is proposed for the accumulation process, which is based on electron beam dissociation of α 2 -CO to form adsorbed carbon and gaseous O and the creation of new sites for further α 2 -CO adsorption; it is in quantitative agreement with the results and yields a cross section for ESD of α 2 -CO (Qsub(α 2 )=1.55 X 10 -18 cm 2 ) in clo 2 e agreement with direct measurements. (Auth.)

Electronic structures and stability of Ni/Bi2Te3 and Co/Bi2Te3 interfaces

KAUST Repository

Xiong, Ka; Wang, Weichao; Alshareef, Husam N.; Gupta, Rahul P.; White, John B.; Gnade, Bruce E.; Cho, Kyeongjae

2010-01-01

We investigate the electronic structures and stability for Ni/Bi 2Te3, NiTe/Bi2Te3, Co/Bi 2Te3 and CoTe2/Bi2Te3 interfaces by first-principles calculations. It is found that the surface termination strongly affects the band alignment. Ni and Co are found to form Ohmic contacts to Bi2Te3. The interface formation energy for Co/Bi2Te3 interfaces is much lower than that of Ni/Bi2Te3 interfaces. Furthermore, we found that NiTe on Bi2Te3 is more stable than Ni, while the formation energies for Co and CoTe2 on Bi2Te3 are comparable. © 2010 IOP Publishing Ltd.

Electronic structures and stability of Ni/Bi2Te3 and Co/Bi2Te3 interfaces

KAUST Repository

Xiong, Ka

2010-03-04

We investigate the electronic structures and stability for Ni/Bi 2Te3, NiTe/Bi2Te3, Co/Bi 2Te3 and CoTe2/Bi2Te3 interfaces by first-principles calculations. It is found that the surface termination strongly affects the band alignment. Ni and Co are found to form Ohmic contacts to Bi2Te3. The interface formation energy for Co/Bi2Te3 interfaces is much lower than that of Ni/Bi2Te3 interfaces. Furthermore, we found that NiTe on Bi2Te3 is more stable than Ni, while the formation energies for Co and CoTe2 on Bi2Te3 are comparable. © 2010 IOP Publishing Ltd.

Electronic structure, chemical bonding, phase stability, and ground-state properties of YNi2-x(Co/Cu)xB2C

International Nuclear Information System (INIS)

Ravindran, P.; Johansson, B.; Eriksson, O.

1998-01-01

In order to understand the role of Ni site substitution on the electronic structure and chemical bonding in YNi 2 B 2 C, we have made systematic electronic-structure studies on YNi 2 B 2 C as a function of Co and Cu substitution using the supercell approach within the local density approximation. The equilibrium volume, bulk modulus (B 0 ) and its pressure derivative (B 0 ' ), Grueneisen constant (γ G ), Debye temperature (Θ D ), cohesive energy (E c ), and heat of formation (ΔH) are calculated for YNi 2-x (Co/Cu) x B 2 C (x=0,0.5,1.0,1.5,2). From the total energy, electron-energy band structure, site decomposed density of states, and charge-density contour we have analyzed the structural stability and chemical bonding behavior of YNi 2 B 2 C as a function of Co/Cu substitution. We find that the simple rigid band model successfully explains the electronic structure and structural stability of Co/Cu substitution for Ni. In addition to studying the chemical bonding and electronic structure we present a somewhat speculative analysis of the general trends in the behavior of critical temperature for superconductivity as a function of alloying. copyright 1998 The American Physical Society

CO2 Mineralization and Utilization using Steel Slag for Establishing a Waste-to-Resource Supply Chain.

Science.gov (United States)

Pan, Shu-Yuan; Chung, Tai-Chun; Ho, Chang-Ching; Hou, Chin-Jen; Chen, Yi-Hung; Chiang, Pen-Chi

2017-12-08

Both steelmaking via an electric arc furnace and manufacturing of portland cement are energy-intensive and resource-exploiting processes, with great amounts of carbon dioxide (CO 2 ) emission and alkaline solid waste generation. In fact, most CO 2 capture and storage technologies are currently too expensive to be widely applied in industries. Moreover, proper stabilization prior to utilization of electric arc furnace slag are still challenging due to its high alkalinity, heavy metal leaching potentials and volume instability. Here we deploy an integrated approach to mineralizing flue gas CO 2 using electric arc furnace slag while utilizing the reacted product as supplementary cementitious materials to establish a waste-to-resource supply chain toward a circular economy. We found that the flue gas CO 2 was rapidly mineralized into calcite precipitates using electric arc furnace slag. The carbonated slag can be successfully utilized as green construction materials in blended cement mortar. By this modulus, the global CO 2 reduction potential using iron and steel slags was estimated to be ~138 million tons per year.

Laser photoelectron spectroscopy of MnH - 2, FeH - 2, CoH - 2, and NiH - 2: Determination of the electron affinities for the metal dihydrides

Science.gov (United States)

Miller, Amy E. S.; Feigerle, C. S.; Lineberger, W. C.

1986-04-01

The laser photoelectron spectra of MnH-2, FeH-2, CoH-2, and NiH-2 and the analogous deuterides are reported. Lack of vibrational structure in the spectra suggests that all of the dihydrides and their negative ions have linear geometries, and that the transitions observed in the spectra are due to the loss of nonbonding d electrons. The electron affinities for the metal dihydrides are determined to be 0.444±0.016 eV for MnH2, 1.049±0.014 eV for FeH2, 1.450±0.014 eV for CoH2, and 1.934±0.008 eV for NiH2. Electronic excitation energies are provided for excited states of FeH2, CoH2, and NiH2. Electron affinities and electronic excitation energies for the dideuterides are also reported. A limit on the electron affinity of CrH2 of ≥2.5 eV is determined. The electron affinities of the dihydrides directly correlate with the electron affinities of the high-spin states of the monohydrides, and with the electron affinities of the metal atoms. These results are in agreement with a qualitative model developed for bonding in the monohydrides.

Interaction of multicharged ions with molecules (CO2, C60) by coincident electron spectroscopy

International Nuclear Information System (INIS)

Moretto-Capelle, P.; Bordenave-Montesquieu, D.; Bordenave-Montesquieu, A.

2001-01-01

First results for the investigation of electron capture processes in collisions between multicharged ions and molecule targets using electron spectroscopy in coincidence with charged fragments, are presented. It is shown that a much more detailed investigation of the capture reaction can be achieved using molecular instead of heavy atomic targets provided that an analysis of the target dissociation is made. The collisional systems 18 O 8+ +Ar, CO 2 and C 60 have been studied at 80 keV. Non coincident electron spectra as well as first results of double or triple coincidence experiments are discussed. Kinetic energy distributions of the C n + fragments (n=1 to 8) produced in multiple capture processes from C 60 target are given. A detailed investigation of the double capture process with CO 2 molecule allows the measurement of kinetic energy release distributions (KERD) which characterize the dissociation of CO 2 2+ molecular ions; our results are found to be very similar to those measured in double photoionisation experiments. (orig.)

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.

Identification and preliminary characterization of global water resource issues which may be affected by CO/sub 2/-induced climate change

Energy Technology Data Exchange (ETDEWEB)

Callaway, J.M.; Cohen, M.L.; Currie, J.W.

1984-04-01

The objectives were to: (1) identify, characterize, and define existing or projected regional and global water resource management issues which may be affected by CO/sub 2/-induced climate changes; and (2) develop research priorities for acquiring additional information about the potential effects of a CO/sub 2/-induced climate change on the availability and allocation of freshwater supplies. The research was broken into four work elements: (1) identification of water resource management issues on a global and regional basis; (2) identification of a subset of generic CO/sub 2/-related water resource management issues believed to have the highest probability of being affected, beneficially or adversely, by a CO/sub 2/-induced climate change; (3) selection of specific sites for examining the potential effect of a CO/sub 2/-induced climate change on these issues; and (4) conducting detailed case studies at these sites, the results from which will be used to identify future research and data needs in the area of water resources. This report summarizes the research related to the first three work elements. 6 figures, 9 tables.

Magnetic and electronic properties of the Cu-substituted Weyl semimetal candidate ZrCo2Sn.

Science.gov (United States)

Kushwaha, S K; Wang, Zhijun; Kong, Tai; Cava, Robert

2018-01-04

We report that the partial substitution of Cu for Co has a significant impact on the magnetic properties of the Heusler-phase Weyl fermion candidate ZrCo₂Sn. Polycrystalline samples of ZrCo_2-xCu_xSn (x = 0.0 to 1.0) exhibited a linearly decreasing ferromagnetic transition temperature and similarly decreasing saturated magnetic moment on increasing Cu substitution x. Materials with Cu contents near x = 1 and several other quaternary materials synthesized at the same x (ZrCoT'Sn (T' = Rh, Pd, Ni)) display what appears to be non-ferromagnetic magnetization behavior with spin glass characteristics. Electronic structure calculations suggest that the half-metallic nature of unsubstituted ZrCo₂Sn is disrupted significantly by the Cu substitutions, leading to the breakdown of the magnetization vs. electron count guidelines usually followed by Heusler phases, and a more typical metallic non-spin-polarized electronic structure at high x. © 2018 IOP Publishing Ltd.

Investigation of Thermal Stability of P2-NaxCoO2 Cathode Materials for Sodium Ion Batteries Using Real-Time Electron Microscopy.

Science.gov (United States)

Hwang, Sooyeon; Lee, Yongho; Jo, Eunmi; Chung, Kyung Yoon; Choi, Wonchang; Kim, Seung Min; Chang, Wonyoung

2017-06-07

Here, we take advantage of in situ transmission electron microscopy (TEM) to investigate the thermal stability of P2-type Na x CoO 2 cathode materials for sodium ion batteries, which are promising candidates for next-generation lithium ion batteries. A double-tilt TEM heating holder was used to directly characterize the changes in the morphology and the crystallographic and electronic structures of the materials with increase in temperature. The electron diffraction patterns and the electron energy loss spectra demonstrated the presence of cobalt oxides (Co 3 O 4 , CoO) and even metallic cobalt (Co) at higher temperatures as a result of reduction of Co ions and loss of oxygen. The bright-field TEM images revealed that the surface of Na x CoO 2 becomes porous at high temperatures. Higher cutoff voltages result in degrading thermal stability of Na x CoO 2 . The observations herein provide a valuable insight that thermal stability is one of the important factors to be considered in addition to the electrochemical properties when developing new electrode materials for novel battery systems.

C3 and C4 biomass allocation responses to elevated CO2 and nitrogen: contrasting resource capture strategies

Science.gov (United States)

White, K.P.; Langley, J.A.; Cahoon, D.R.; Megonigal, J.P.

2012-01-01

Plants alter biomass allocation to optimize resource capture. Plant strategy for resource capture may have important implications in intertidal marshes, where soil nitrogen (N) levels and atmospheric carbon dioxide (CO2) are changing. We conducted a factorial manipulation of atmospheric CO2 (ambient and ambient + 340 ppm) and soil N (ambient and ambient + 25 g m-2 year-1) in an intertidal marsh composed of common North Atlantic C3 and C4 species. Estimation of C3 stem turnover was used to adjust aboveground C3 productivity, and fine root productivity was partitioned into C3-C4 functional groups by isotopic analysis. The results suggest that the plants follow resource capture theory. The C3 species increased aboveground productivity under the added N and elevated CO2 treatment (P 2 alone. C3 fine root production decreased with added N (P 2 (P = 0.0481). The C4 species increased growth under high N availability both above- and belowground, but that stimulation was diminished under elevated CO2. The results suggest that the marsh vegetation allocates biomass according to resource capture at the individual plant level rather than for optimal ecosystem viability in regards to biomass influence over the processes that maintain soil surface elevation in equilibrium with sea level.

Summary Report on CO{sub 2} Geologic Sequestration & Water Resources Workshop

Energy Technology Data Exchange (ETDEWEB)

Varadharajan, C.; Birkholzer, J.; Kraemer, S.; Porse, S.; Carroll, S.; Wilkin, R.; Maxwell, R.; Bachu, S.; Havorka, S.; Daley, T.; Digiulio, D.; Carey, W.; Strasizar, B.; Huerta, N.; Gasda, S.; Crow, W.

2012-02-15

The United States Environmental Protection Agency (EPA) and Lawrence Berkeley National Laboratory (LBNL) jointly hosted a workshop on “CO{sub 2} Geologic Sequestration and Water Resources” in Berkeley, June 1–2, 2011. The focus of the workshop was to evaluate R&D needs related to geological storage of CO{sub 2} and potential impacts on water resources. The objectives were to assess the current status of R&D, to identify key knowledge gaps, and to define specific research areas with relevance to EPA’s mission. About 70 experts from EPA, the DOE National Laboratories, industry, and academia came to Berkeley for two days of intensive discussions. Participants were split into four breakout session groups organized around the following themes: Water Quality and Impact Assessment/Risk Prediction; Modeling and Mapping of Area of Potential Impact; Monitoring and Mitigation; Wells as Leakage Pathways. In each breakout group, participants identified and addressed several key science issues. All groups developed lists of specific research needs; some groups prioritized them, others developed short-term vs. long-term recommendations for research directions. Several crosscutting issues came up. Most participants agreed that the risk of CO{sub 2} leakage from sequestration sites that are properly selected and monitored is expected to be low. However, it also became clear that more work needs to be done to be able to predict and detect potential environmental impacts of CO{sub 2} storage in cases where the storage formation may not provide for perfect containment and leakage of CO{sub 2}–brine might occur.

Magnetic properties and effect of pressure on the electronic state of EuCo2Ge2

Science.gov (United States)

Ashitomi, Y.; Kakihana, M.; Honda, F.; Nakamura, A.; Aoki, D.; Uwatoko, Y.; Nakashima, M.; Amako, Y.; Takeuchi, T.; Kida, T.; Tahara, T.; Hagiwara, M.; Haga, Y.; Hedo, M.; Nakama, T.; Ōnuki, Y.

2018-05-01

EuCo2Ge2 with the tetragonal structure is a Eu-divalent antiferromagnet with the Néel temperature TN = 23 K. The magnetic easy-axis corresponds to the [100] direction (a-axis), while the [001] direction (c-axis) is a hard-axis. The magnetization for H∥ [ 100 ] indicates a metamagnetic transition at 25 kOe and saturates above 75 kOe. On the other hand, the hard-axis magnetization increases approximately linearly and saturates above 110 kOe. The magnetic phase diagram was constructed. A characteristic feature in EuCo2Ge2 is known as a valence transition under pressure, from Eu 2+δ to Eu 3 - δ ‧(δ, δ ‧ electronic state is changed into a moderate heavy fermion state and approaches the nearly trivalent electronic state.

The effect of electron and hole doping on the thermoelectric properties of shandite-type Co3Sn2S2

OpenAIRE

Mangelis, Panagiotis; Vaqueiro, Paz; Jumas, Jean-Claude; da Silva, Ivan; Smith, Ronald I; Powell, Anthony V

2017-01-01

Electron and hole doping in Co3Sn2S2, through chemical substitution of cobalt by the neighbouring elements, nickel and iron, affects both the structure and thermoelectric properties. Electron doping to form Co3-xNixSn2S2 (0 ≤ x ≤ 3) results in an expansion of the kagome layer and materials become increasingly metallic as cobalt is substituted. Conversely, hole doping in Co3-xFexSn2S2 (0 ≤ x ≤ 0.6) leads to a transition from metallic to n-type semiconducting behaviour at x = 0.5. Iron substitu...

Electron transport in all-Heusler Co2CrSi/Cu2CrAl/Co2CrSi device, based on ab-initio NEGF calculations

Science.gov (United States)

Mikaeilzadeh, L.; Pirgholi, M.; Tavana, A.

2018-05-01

Based on the ab-initio non-equilibrium Green's function (NEGF) formalism based on the density functional theory (DFT), we have studied the electron transport in the all-Heusler device Co2CrSi/Cu2CrAl/Co2CrSi. Results show that the calculated transmission spectra is very sensitive to the structural parameters and the interface. Also, we obtain a range for the thickness of the spacer layer for which the MR effect is optimum. Calculations also show a perfect GMR effect in this device.

Electron scattering from CO in the 2Pi resonance region

International Nuclear Information System (INIS)

Buckman, S.J.; Lohmann, B.

1986-01-01

The total cross section for electron scattering from CO in the energy range 0.5--5 eV has been measured with use of a time-of-flight spectrometer. This energy region encompasses the 2 π shape resonance, and a comparison is made with other experimental and theoretical results with regard to the magnitude and position of this structure

Correlation between donating or accepting electron behavior of the adsorbed CO or H_2 and its oxidation over TiO_2 under ultraviolet light irradiation

International Nuclear Information System (INIS)

Peng, Xiaoying; He, Zhoujun; Yang, Kai; Chen, Xun; Wang, Xuxu; Dai, Wenxin; Fu, Xianzhi

2016-01-01

Graphical abstract: Although both H_2 and CO can be thermodynamically oxidized by O_2 over TiO_2 under UV irradiation, only CO was oxidized by O_2 over TiO_2 due to its donating electrons to TiO_2, while H_2 was not oxidized by O_2 under the same condition due to its accepting electrons from TiO_2. - Highlights: • CO could but H_2 could not be oxidized over TiO_2 under UV irradiation. • Electron transfer behaviors of species adsorbed at TiO_2 were characterized by gas sensing testing. • Adsorbed CO donated electrons to TiO_2 but adsorbed H_2 accepted electrons from TiO_2 under UV irradiation. • Photocatalytic oxidation of species over TiO_2 maybe depends on the electron transfer direction between species and TiO_2. - Abstract: Although both H_2 and CO can be thermodynamically oxidized by O_2 over TiO_2 under ultraviolet light (UV) irradiation, it was found that CO not H_2 could be oxidized over an anatase TiO_2 in this work. The chemisorption results of CO and H_2 at TiO_2 surface under UV irradiation, investigated by a gas sensing testing, showed that CO adsorption at TiO_2 would cause the decrease of TiO_2 surface impedance, whereas H_2 adsorption would cause its increase. It is proposed that the CO adsorbed at TiO_2 donate electrons to TiO_2 (as a process of CO pre-oxidation), resulting in its oxidation. In contrast, the H_2 adsorbed at TiO_2 accept electrons from TiO_2 (as a process of H_2 pre-reduction), which makes it difficult to be oxidized. This result indicates that the photocatalytic oxidation of a reactant over TiO_2 not only depends on the formation of the photo-generated carriers and the subsequent activated oxidizing species, but maybe also depends on the electron transfer behavior at the interface of the adsorbed reactant and TiO_2.

Vibrational structures in electron-CO2 scattering below the 2Πu shape resonance

International Nuclear Information System (INIS)

Allan, Michael

2002-01-01

Structures of vibrational origin were discovered in vibrationally inelastic electron-CO 2 cross sections in the energy range 0.4-0.9 eV, well below the 2 Π u shape resonance. They appear in the excitation of higher vibrational levels, in particular the highest members of the Fermi polyads of the type (n, 2m, 0) with n+m=2-4. The lowest two structures, at 0.445 and 0.525 eV, are narrow; higher-lying structures are broader and boomerang-like. The structures are absent when the antisymmetric stretch is co-excited. The structures are interpreted in terms of a wavepacket of the nuclei reflected from a potential surface of the CO 2 - anion in a bent and stretched geometry. A state emerging from the virtual state upon bending and stretching and the state resulting from bending the 2 Π u shape resonance are discussed as possibly being responsible for the structures. (author). Letter-to-the-editor

Electronic structure and microscopic model of CoNb2O6

Science.gov (United States)

Molla, Kaimujjaman; Rahaman, Badiur

2018-05-01

We present the first principle density functional calculations to figure out the underlying spin model of CoNb2O6. The first principles calculations define the main paths of superexchange interaction between Co spins in this compound. We discuss the nature of the exchange paths and provide quantitative estimates of magnetic exchange couplings. A microscopic modeling based on analysis of the electronic structure of this system puts it in the interesting class of weakly couple geometrically frustrated isosceles triangular Ising antiferromagnet.

The structural, electronic and magnetic properties of CoS2 under pressure

Science.gov (United States)

Feng, Zhong-Ying; Yang, Yan; Zhang, Jian-Min

2018-05-01

The structural, electronic and magnetic properties of CoS2 under pressure have been investigated by the first-principles calculations. The lattice constant and volume decrease with increasing pressure. The CoS2 is stable and behaves a brittle characteristic under the pressures of 0-5 GPa. The CoS2 presents metallic characteristic under the pressures of 1-5 GPa although it is nearly half-metal (HM) under the pressure of 0 GPa. The lowest conduction bands for spin-up and spin-down channels shift towards higher and lower energy region, respectively, with the pressure increasing from 0 to 5 GPa. In spin-up channel the conduction band minimum (CBM) is mainly contributed by Co-3d(eg) orbitals at R point but the valence band maximum (VBM) is contributed by Co-3d(t2g) orbitals near M point. While in spin-down channel the CBM is contributed by S-3p orbitals at Γ point but the VBM is contributed by Co-3d(t2g) orbitals near X point. The CoS2 is still suitable to be used in the supercapacitor under the environmental pressures of 0-5 GPa due to the high conductivity.

Potential impacts on groundwater resources of deep CO2 storage: natural analogues for assessing potential chemical effects

Science.gov (United States)

Lions, J.; Gale, I.; May, F.; Nygaard, E.; Ruetters, H.; Beaubien, S.; Sohrabi, M.; Hatzignatiou, D. G.; CO2GeoNet Members involved in the present study Team

2011-12-01

Carbon dioxide Capture and Storage (CCS) is considered as one of the promising options for reducing atmospheric emissions of CO2 related to human activities. One of the main concerns associated with the geological storage of CO2 is that the CO2 may leak from the intended storage formation, migrate to the near-surface environment and, eventually, escape from the ground. This is a concern because such leakage may affect aquifers overlying the storage site and containing freshwater that may be used for drinking, industry and agriculture. The IEA Greenhouse Gas R&D Programme (IEAGHG) recently commissioned the CO2GeoNet Association to undertake a review of published and unpublished literature on this topic with the aim of summarizing 'state of the art' knowledge and identifying knowledge gaps and research priorities in this field. Work carried out by various CO2GeoNet members was also used in this study. This study identifies possible areas of conflict by combining available datasets to map the global and regional superposition of deep saline formations (DSF) suitable for CO2 storage and overlying fresh groundwater resources. A scenario classification is developed for the various geological settings where conflict could occur. The study proposes two approaches to address the potential impact mechanisms of CO2 storage projects on the hydrodynamics and chemistry of shallow groundwater. The first classifies and synthesizes changes of water quality observed in natural/industrial analogues and in laboratory experiments. The second reviews hydrodynamic and geochemical models, including coupled multiphase flow and reactive transport. Various models are discussed in terms of their advantages and limitations, with conclusions on possible impacts on groundwater resources. Possible mitigation options to stop or control CO2 leakage are assessed. The effect of CO2 pressure in the host DSF and the potential effects on shallow aquifers are also examined. The study provides a review of

Study of electronic structure and magnetic properties of epitaxial Co{sub 2}FeAl Heusler Alloy Thin Films

Energy Technology Data Exchange (ETDEWEB)

Soni, S. [Department of Pure & Applied Physics, University of Kota, Kota 324007 (India); Dalela, S., E-mail: sdphysics@rediffmail.com [Department of Pure & Applied Physics, University of Kota, Kota 324007 (India); Sharma, S.S. [Department of Physics, Govt. Women Engineering College, Ajmer (India); Liu, E.K.; Wang, W.H.; Wu, G.H. [State Key Laboratory for Magnetism, Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences, Beijing 100190 (China); Kumar, M. [Department of Physics, Malviya National Institute of Technology, Jaipur-302017 (India); Garg, K.B. [Department of Physics, University of Rajasthan, Jaipur-302004 (India)

2016-07-25

This work reports the magnetic and electronic characterization of plane magnetized buried Heusler Co{sub 2}FeAl nano thin films of different thickness by X-ray absorption spectroscopy (XAS) and X-ray magnetic circular dichroism (XMCD) measurements. . The spectra on both Fe- and Co L{sub 2,3} edges show a pronounced magnetic dichroic signal in remanence, corresponding to a ferromagnetically-aligned moments on Fe and Co atoms conditioning the peculiar characteristics of the Co{sub 2}FeAl Heusler compound (a half-metallic ferromagnet). The detailed knowledge of the related magnetic and electronic properties of these samples over a wide range of thickness of films are indispensable for achieving a higher tunnel magnetoresistance ratio, and thus for spintronics device applications. - Highlights: • Electronic structure and Magnetic Properties of Epitaxial Co{sub 2}FeAl Heusler Films. • X-ray absorption spectroscopy (XAS) and X-ray magnetic circular dichroism (XMCD). • Fe- and Co L{sub 2,3} edges show a pronounced magnetic dichroic signal in remanence. • Calculated Orbital, Spin and total magnetic moments of Fe and Co for 30 nm Co{sub 2}FeAl thin film. • The total magnetic moment of Fe at L{sub 2,3} edges increases with the thickness of the Co2FeAl films.

Direct acceleration of electrons by a CO2 laser in a curved plasma waveguide

CERN Document Server

Yi, Longqing; Shen, Baifei

2016-01-01

Laser plasma interaction with micro-engineered targets at relativistic intensities has been greatly promoted by recent progress in the high contrast lasers and the manufacture of advanced micro- and nano-structures. This opens new possibilities for the physics of laser-matter interaction. Here we propose a novel approach that leverages the advantages of high-pressure CO 2 laser, laser-waveguide interaction, as well as micro-engineered plasma structure to accelerate electrons to peak energy greater than 1 GeV with narrow slice energy spread (~1%) and high overall efficiency. The acceleration gradient is 26 GV/m for a 1.3 TW CO2 laser system. The micro-bunching of a long electron beam leads to the generation of a chain of ultrashort electron bunches with the duration roughly equal to half-laser-cycle. These results open a way for developing a compact and economic electron source for diverse applications.

Electronic structure of Co(III) doped bromo-bridged Ni complexes, [Ni1-xCox(chxn)2Br]Br2.

Science.gov (United States)

Xie, Jimin; Wu, Hashen; Kawakami, Daisuke; Iguchi, Hiroaki; Takaishi, Shinya; Yamashita, Masahiro; Matsuzaki, Hiroyuki; Okamoto, Hiroshi; Tanaka, Hisaaki; Kuroda, Shin-ichi

2008-03-17

This article describes the electronic structure of the Co(III) doped Br bridged Ni(III) complexes, [Ni(1-x)Cox(chxn)2Br]Br2 (x = 0.01, 0.02, 0.05, and 0.11) by using a optical spectroscopy, scanning tunneling microscopy (STM), and electron spin resonance spectroscopy. In the optical reflectivity spectrum, the new band was formed at about 0.5 eV, which is reasonably recognized as the d(z2) band of doped Co(III) ions. In the STM images of [Ni(1-x)Cox(chxn)2Br]Br2, the bright spots attributable to the tunnel current from the Fermi level of the STM tip to the conduction band of the sample were observed. In addition, some brighter spots were also observed. Because the number of the brighter spots is in good agreement with that of doped Co species, the brighter spots can be assigned to doped Co(III) sites. These are reasonably explained by the tunnel current from the Fermi level of the tip to the d(z2) band of Co(III). The Curie spin concentration was gradually increased with increasing Co(III) ions, which is explained by the scissions of the S = 1/2 1D antiferromagnetic chains.

CO sub 2 induced climate change in Ontario: Interdependencies and resource strategies. Changement climatique cause par le CO sub 2 en Ontario: Interdependances et strategies en matiere de ressources

Energy Technology Data Exchange (ETDEWEB)

1988-01-01

A summary is presented of a workshop held in November 1985 which was convened to extend the results of an earlier study on the effect of CO{sub 2}-induced climate change on specific components of the air-water-land biota systems and resource uses in Ontario. The workshop examined the interdependencies of those impact sectors and possible resource and socio-economic strategies to mitigate the effects of climate change. Impacts on such matters as streamflow, water quality, wetlands, snowfall, solar energy, municipal water use, hydroelectric power, tourism and recreation, food production, forest resources, and residential heating requirements were evaluated. It was found that almost all components of the climate system and resource use were affected by CO{sub 2}-induced warming, but the nature and magnitude of these impacts vary considerably across resource sectors and are intricately interdependent. Direct impacts are driven by changes in temperature, precipitation, or cloud cover and affect climate system components, and interdependencies among these sectors cause indirect impacts which affect resource use. For example, changes in temperaure and precipitation affect streamflow which indirectly impacts water use, commercial shipping, and recreation. Strategies to mitigate these effects include both preventive and adjustment strategies, some of which require significant forward planning. The timing and pattern of CO{sub 2}-induced change are important in determining the most likely and desirable strategies. A 5-point framework was developed to evaluate strategies and identify research priorities. Among resource and socioeconomic adjustment strategies, research into the forestry sector is of primary importance.

The effect of electron and hole doping on the thermoelectric properties of shandite-type Co3Sn2S2

Science.gov (United States)

Mangelis, Panagiotis; Vaqueiro, Paz; Jumas, Jean-Claude; da Silva, Ivan; Smith, Ronald I.; Powell, Anthony V.

2017-07-01

Electron and hole doping in Co3Sn2S2, through chemical substitution of cobalt by the neighbouring elements, nickel and iron, affects both the structure and thermoelectric properties. Electron doping to form Co3-xNixSn2S2 (0≤x≤3) results in an expansion of the kagome layer and materials become increasingly metallic as cobalt is substituted. Conversely, hole doping in Co3-xFexSn2S2 (0≤x≤0.6) leads to a transition from metallic to n-type semiconducting behaviour at x=0.5. Iron substitution induces a small increase in the separation between the kagome layers and improves the thermoelectric performance. Neutron diffraction data reveal that substitution occurs at the Co 9(d) site in a disordered fashion. Mössbauer spectroscopy reveals two iron environments with very different isomer shifts, which may be indicative of a mixed-valence state, while Sn exhibits an oxidation state close to zero in both series. Co2.6Fe0.4Sn2S2 exhibits a maximum figure-of-merit, ZT=0.2 at 523 K while Co2.4Fe0.6Sn2S2 reaches a power factor of 10.3 μW cm-1 K-2 close to room temperature.

Radiative transition probabilities for the main diatomic electronic systems of N2, N2+, NO, O2, CO, CO+, CN, C2 and H2 produced in plasma of atmospheric entry

Science.gov (United States)

Qin, Z.; Zhao, J. M.; Liu, L. H.

2017-11-01

Accurate radiative transition probabilities of diatomic electronic systems are required to calculate the discrete radiation of plasmas. However, most of the published transition probabilities are obtained using older spectroscopic constants and electronic transition moment functions (ETMFs), some of which deviates greatly from experimental data. Fortunately, a lot of new spectroscopic constants that include more anharmonic correction terms than the earlier ones have been published over the past few years. In this work, the Einstein coefficients, Franck-Condon factors and absorption band oscillator strengths are calculated for important diatomic radiative transition processes of N2-O2, CO2-N2 and H2 plasmas produced in entering into the atmosphere of Earth, Mars and Jupiter. The most up-to-date spectroscopic constants are selected to reconstruct the potential energy curves by the Rydberg-Klein-Rees (RKR) method. Then the vibrational wave functions are calculated through the resolution of the radial Schrödinger equation for such potential energy curves. These results, together with the latest "ab-initio" ETMFs derived from the literature are used to compute the square of electronic-vibrational transition moments, Einstein coefficients and absorption band oscillator strengths. Moreover, the Franck-Condon factors are determined with the obtained vibrational wave functions. In the supplementary material we present tables of the radiative transition probabilities for 40 band systems of N2, N2+, NO, O2, CO, CO+, CN, C2 and H2 molecules. In addition, the calculated radiative lifetimes are systematically validated by available experimental results.

Photoemission study of electronic structure of the half-metallic ferromagnet Co3Sn2S2

Science.gov (United States)

Holder, M.; Dedkov, Yu. S.; Kade, A.; Rosner, H.; Schnelle, W.; Leithe-Jasper, A.; Weihrich, R.; Molodtsov, S. L.

2009-05-01

Surface electronic structure of polycrystalline and single-crystalline samples of the half-metallic ferromagnet Co3Sn2S2 was studied by means of angle-resolved and core-level photoemissions. The experiments were performed in temperature regimes both above and below a Curie temperature of 176.9 K. The spectroscopic results are compared to local-spin density approximation band-structure calculations for the bulk samples. It is found that the surface sensitive experimental data are generally reproduced by the bulk computation suggesting that the theoretically predicted half-metallic properties of Co3Sn2S2 are retained at the surface.

Electronic Resource Management and Design

Science.gov (United States)

Abrams, Kimberly R.

2015-01-01

We have now reached a tipping point at which electronic resources comprise more than half of academic library budgets. Because of the increasing work associated with the ever-increasing number of e-resources, there is a trend to distribute work throughout the library even in the presence of an electronic resources department. In 2013, the author…

Resourcing in Co-Design

DEFF Research Database (Denmark)

Ylirisku, Salu; Buur, Jacob; Revsbæk, Line

2016-01-01

This paper introduces the concept of ‘resourcing’ to describe the fundamental activity of negotiating the use of what is available for co-design. Even though resourcing is an ever-present undertaking in all co-designing, no theoretical concept has thus far addressed the constitutive practices in ...... that changes in response to what emerges in the complex interplay of intentions between people involved in co-design....

Electronic structure of the alkyne-bridged dicobalt hexacarbonyl complex Co(2) micro-C(2)H(2) (CO)(6): evidence for singlet diradical character and implications for metal-metal bonding.

Science.gov (United States)

Platts, James A; Evans, Gareth J S; Coogan, Michael P; Overgaard, Jacob

2007-08-06

A series of ab initio calculations are presented on the alkyne-bridged dicobalt hexacarbonyl cluster Co2 micro-C2H2 (CO)6, indicating that this compound has substantial multireference character, which we interpret as evidence of singlet diradical behavior. As a result, standard theoretical methods such as restricted Hartree-Fock (RHF) or Kohn-Sham (RKS) density functional theory cannot properly describe this compound. We have therefore used complete active space (CAS) methods to explore the bonding in and spectroscopic properties of Co2 micro-C2H2 (CO)6. CAS methods identify significant population of a Co-Co antibonding orbital, along with Co-pi* back-bonding, and a relatively large singlet-triplet energy splitting. Analysis of the electron density and related quantities, such as energy densities and atomic overlaps, indicates a small but significant amount of covalent bonding between cobalt centers.

Hydrogenation of organic matter as a terminal electron sink sustains high CO 2 :CH 4 production ratios during anaerobic decomposition

Energy Technology Data Exchange (ETDEWEB)

Wilson, Rachel M.; Tfaily, Malak M.; Rich, Virginia I.; Keller, Jason K.; Bridgham, Scott D.; Zalman, Cassandra Medvedeff; Meredith, Laura; Hanson, Paul J.; Hines, Mark; Pfeifer-Meister, Laurel; Saleska, Scott R.; Crill, Patrick; Cooper, William T.; Chanton, Jeff P.; Kostka, Joel E.

2017-10-01

Once inorganic electron acceptors are depleted, organic matter in anoxic environments decomposes by hydrolysis, fermentation, and methanogenesis, requiring syntrophic interactions between microorganisms to achieve energetic favorability. In this classic anaerobic food chain, methanogenesis represents the terminal electron accepting (TEA) process, ultimately producing equimolar CO2 and CH4 for each molecule of organic matter degraded. However, CO2:CH4 production in Sphagnum-derived, mineral-poor, cellulosic peat often substantially exceeds this 1:1 ratio, even in the absence of measureable inorganic TEAs. Since the oxidation state of C in both cellulose-derived organic matter and acetate is 0, and CO2 has an oxidation state of +4, if CH4 (oxidation state -4) is not produced in equal ratio, then some other compound(s) must balance CO2 production by receiving 4 electrons. Here we present evidence for ubiquitous hydrogenation of diverse unsaturated compounds that appear to serve as organic TEAs in peat, thereby providing the necessary electron balance to sustain CO2:CH4 >1. While organic electron acceptors have previously been proposed to drive microbial respiration of organic matter through the reversible reduction of quinone moieties, the hydrogenation mechanism that we propose, by contrast, reduces C-C double bonds in organic matter thereby serving as 1) a terminal electron sink, 2) a mechanism for degrading complex unsaturated organic molecules, 3) a potential mechanism to regenerate electron-accepting quinones, and, in some cases, 4) a means to alleviate the toxicity of unsaturated aromatic acids. This mechanism for CO2 generation without concomitant CH4 production has the potential to regulate the global warming potential of peatlands by elevating CO2:CH4 production ratios.

Water Resources Response to Changes in Temperature, Rainfall and CO2 Concentration: A First Approach in NW Spain

Directory of Open Access Journals (Sweden)

Ricardo Arias

2014-10-01

Full Text Available Assessment of the diverse responses of water resources to climate change and high concentrations of CO2 is crucial for the appropriate management of natural ecosystems. Despite numerous studies on the impact of climate change on different regions, it is still necessary to evaluate the impact of these changes at the local scale. In this study, the Soil and Water Assessment Tool (SWAT model was used to evaluate the potential impact of changes in temperature, rainfall and CO2 concentration on water resources in a rural catchment in NW Spain for the periods 2031–2060 and 2069–2098, using 1981–2010 as a reference period. For the simulations we used compiled regional climate models of the ENSEMBLES project for future climate input data and two CO2 concentration scenarios (550 and 660 ppm. The results showed that changes in the concentration of CO2 and climate had a significant effect on water resources. Overall, the results suggest a decrease in streamflow of 16% for the period 2031–2060 (intermediate future and 35% by the end of the 21st century as a consequence of decreasing rainfall (2031–2060: −6%; 2069–2098: −15% and increasing temperature (2031–2060: 1.1 °C; 2069–2098: 2.2 °C.

Electron transport parameters in CO$_2$: scanning drift tube measurements and kinetic computations

OpenAIRE

Vass, M.; Korolov, I.; Loffhagen, D.; Pinhao, N.; Donko, Z.

2016-01-01

This work presents transport coefficients of electrons (bulk drift velocity, longitudinal diffusion coefficient, and effective ionization frequency) in CO2 measured under time-of-flight conditions over a wide range of the reduced electric field, 15Td

Fluorescence excitation involving multiple electron transition states of N{sub 2} and CO{sub 2}

Energy Technology Data Exchange (ETDEWEB)

Wu, C.Y.R.; Chen, F.Z.; Hung, T.; Judge, D.L. [Univ. of Southern California, Los Angeles, CA (United States)

1997-04-01

The electronic states and electronic structures of N{sub 2} and CO{sub 2} in the 8-50 eV energy region have been studied extensively both experimentally and theoretically. In the energy region higher than 25 eV there exists many electronic states including multiple electron transition (MET) states which are responsible for producing most of the dissociative photoionization products. The electronic states at energies higher than 50 eV have been mainly determined by Auger spectroscopy, double charge transfer, photofragment spectroscopy and ion-ion coincidence spectroscopy. The absorption and ionization spectra of these molecules at energies higher than 50 eV mainly show a monotonic decrease in cross section values and exhibit structureless features. The decay channels of MET and Rydberg (or superexcited) states include autoionization, ionization, dissociative ionization, predissociation, and dissociation while those of single ion and multiple ion states may involve predissociation. and dissociation processes. The study of fluorescence specifically probes electronically excited species resulting from the above-mentioned decay channels and provides information for understanding the competition among these channels.

Energy modulation of nonrelativistic electrons with a CO2 laser using a metal microslit

OpenAIRE

Jongsuck, Bae; Ryo, Ishikawa; Sumio, Okuyama; Takashi, Miyajima; Taiji, Akizuki; Tatsuya, Okamoto; Koji, Mizuno

2000-01-01

A metal microslit has been used as an interaction circuit between a CO2 laser beam and nonrelativistic free electrons. Evanescent waves which are induced on the slit by illumination of the laser light modulate the energy of electrons passing close to the surface of the slit. The electron-energy change of more than ±5 eV for the 80 keV electron beam has been observed using the 7 kW laser beam at the wavelength of 10.6 μm.

Energy modulation of nonrelativistic electrons with a CO2 laser using a metal microslit

Science.gov (United States)

Bae, Jongsuck; Ishikawa, Ryo; Okuyama, Sumio; Miyajima, Takashi; Akizuki, Taiji; Okamoto, Tatsuya; Mizuno, Koji

2000-04-01

A metal microslit has been used as an interaction circuit between a CO2 laser beam and nonrelativistic free electrons. Evanescent waves which are induced on the slit by illumination of the laser light modulate the energy of electrons passing close to the surface of the slit. The electron-energy change of more than ±5 eV for the 80 keV electron beam has been observed using the 7 kW laser beam at the wavelength of 10.6 μm.

Electron transport in solid targets and in the active mixture of a CO2 laser amplifier

Science.gov (United States)

Galkowski, A.

The paper examines the use of the NIKE code for the Monte Carlo computation of the deposited energy profile and other characteristics of the absorption process of an electron beam in a solid target and the spatial distribution of primary ionization in the active mixture of a CO2 laser amplifier. The problem is considered in connection with the generation of intense electron beams and the acceleration of thin metal foils, as well as in connection with the electric discharge pumping of a CO2 laser amplifier.

Pulse forming networks for fast pumping of high power electron-beam-controlled CO2 lasers

International Nuclear Information System (INIS)

Riepe, K.B.

1975-01-01

The transverse electric discharge is a widely used technique for pumping CO 2 lasers at high pressures for the generation, simply and efficiently, of very high power laser pulses. The development of the electron-beam-controlled discharge has allowed the application of the transverse discharge to large aperture, very high energy systems. LASL is now in the process of assembly and checkout of a CO 2 laser which is designed to generate a one nanosecond pulse containing 10 kilojoules, for use in laser fusion experiments. The front end of this laser consists of a set of preamplifiers and a mode locked oscillator with electro-optic single pulse switchout. The final amplifier stage consists of four parallel modules, each one consisting of a two-sided electron gun, and two 35 x 35 x 200 cm gas pumping regions operating at a pressure of 1800 torr with a 3/ 1 / 4 /1 (He/N 2 /CO 2 ) laser mix. (auth)

Interaction of multicharged ions with molecules (CO{sub 2}, C{sub 60}) by coincident electron spectroscopy

Energy Technology Data Exchange (ETDEWEB)

Moretto-Capelle, P.; Bordenave-Montesquieu, D.; Bordenave-Montesquieu, A. [Universite Paul Sabatier, Toulouse (France). Lab. CAR-IRSAMC

2001-07-01

First results for the investigation of electron capture processes in collisions between multicharged ions and molecule targets using electron spectroscopy in coincidence with charged fragments, are presented. It is shown that a much more detailed investigation of the capture reaction can be achieved using molecular instead of heavy atomic targets provided that an analysis of the target dissociation is made. The collisional systems {sup 18}O{sup 8+}+Ar, CO{sub 2} and C{sub 60} have been studied at 80 keV. Non coincident electron spectra as well as first results of double or triple coincidence experiments are discussed. Kinetic energy distributions of the C{sub n}{sup +} fragments (n=1 to 8) produced in multiple capture processes from C{sub 60} target are given. A detailed investigation of the double capture process with CO{sub 2} molecule allows the measurement of kinetic energy release distributions (KERD) which characterize the dissociation of CO{sub 2}{sup 2+} molecular ions; our results are found to be very similar to those measured in double photoionisation experiments. (orig.)

Electron plasma waves in CO/sub 2/ laser plasma interactions

International Nuclear Information System (INIS)

Baldis, H.A.; Villeneuve, D.M.; Walsh, C.J.

1984-01-01

During the past few years, the use of Thomson scattering in CO/sub 2/ laser produced plasmas has permitted the identification and study of electron plasma waves and ion waves, driven by various instabilities in the plasma corona, such as Stimulated Raman Scattering (SRS), two plasmon decay, and Stimulated Brillouin Scattering (SBS). Since these instabilities may coexist in the plasma, the density fluctuations associated with one wave may influence the behaviour of one or more of the other instabilities. The authors discuss the experimental evidence of such effects and, in particular, the consequences of a recent experiment in which the ion waves driven by SBS were observed to adversely affect the production of the electron plasma waves driven by SRS. In that experiment, a strong correlation was observed between the onset of SBS and the disappearance of the electron plasma waves driven by SRS at low densities (n/sub e/ n/sub e/ > 0.05 n/sub c/)

Electronic and magnetic structure of BaCoO2 as obtained from LSDA and LSDA+U calculations

KAUST Repository

Nazir, Safdar; Zhu, Zhiyong; Pulikkotil, Jiji Thomas Joseph; Schwingenschlö gl, Udo

2011-01-01

Density functional theory is used to study the structural, electronic, and magnetic properties of BaCoO2. Structural relaxation for different collinear magnetic configurations points to a remarkable magneto-elastic coupling in BaCoO2. Although we

Environmental and thermodynamic evaluation of CO2 capture, transport and storage with and without enhanced resource recovery

International Nuclear Information System (INIS)

Iribarren, Diego; Petrakopoulou, Fontina; Dufour, Javier

2013-01-01

This study evaluates the environmental and thermodynamic performance of six coal-fired power plants with CO 2 capture and storage. The technologies examined are post-combustion capture using monoethanolamine, membrane separation, cryogenic fractionation and pressure swing adsorption, pre-combustion capture through coal gasification, and capture performing conventional oxy-fuel combustion. The incorporation of CO 2 capture is evaluated both on its own and in combination with CO 2 transport and geological storage, with and without beneficial use. Overall, we find that pre-combustion CO 2 capture and post-combustion through membrane separation present relatively low life-cycle environmental impacts and high exergetic efficiencies. When accounting for transport and storage, the environmental impacts increase and the efficiencies decrease. However, a better environmental performance can be achieved for CO 2 capture, transport and storage when incorporating beneficial use through enhanced oil recovery. The performance with enhanced coal-bed methane recovery, on the other hand, depends on the impact categories evaluated. The incorporation of methane recovery results in a better thermodynamic performance, when compared to the incorporation of oil recovery. The cumulative energy demand shows that the integration of enhanced resource recovery strategies is necessary to attain favourable life-cycle energy balances. - Highlights: ► Evaluation of six different CO 2 capture technologies for coal-fired power plants. ► Calculation of life-cycle environmental impacts and exergetic efficiencies. ► Suitability of post-combustion capture with membrane separation. ► Suitability of pre-combustion capture through coal gasification. ► Improved performance when incorporating enhanced resource recovery

CO2 Plasma-Treated TiO2 Film as an Effective Electron Transport Layer for High-Performance Planar Perovskite Solar Cells.

Science.gov (United States)

Wang, Kang; Zhao, Wenjing; Liu, Jia; Niu, Jinzhi; Liu, Yucheng; Ren, Xiaodong; Feng, Jiangshan; Liu, Zhike; Sun, Jie; Wang, Dapeng; Liu, Shengzhong Frank

2017-10-04

Perovskite solar cells (PSCs) have received great attention because of their excellent photovoltaic properties especially for the comparable efficiency to silicon solar cells. The electron transport layer (ETL) is regarded as a crucial medium in transporting electrons and blocking holes for PSCs. In this study, CO 2 plasma generated by plasma-enhanced chemical vapor deposition (PECVD) was introduced to modify the TiO 2 ETL. The results indicated that the CO 2 plasma-treated compact TiO 2 layer exhibited better surface hydrophilicity, higher conductivity, and lower bulk defect state density in comparison with the pristine TiO 2 film. The quality of the stoichiometric TiO 2 structure was improved, and the concentration of oxygen-deficiency-induced defect sites was reduced significantly after CO 2 plasma treatment for 90 s. The PSCs with the TiO 2 film treated by CO 2 plasma for 90 s exhibited simultaneously improved short-circuit current (J SC ) and fill factor. As a result, the PSC-based TiO 2 ETL with CO 2 plasma treatment affords a power conversion efficiency of 15.39%, outperforming that based on pristine TiO 2 (13.54%). These results indicate that the plasma treatment by the PECVD method is an effective approach to modify the ETL for high-performance planar PSCs.

Real-time CO2 sensor for the optimal control of electronic EGR system

Science.gov (United States)

Kim, Gwang-jung; Choi, Byungchul; Choi, Inchul

2013-12-01

In modern diesel engines, EGR (Exhaust Gas Recirculation) is an important technique used in nitrogen oxide (NOx) emission reduction. This paper describes the development and experimental results of a fiber-optical sensor using a 2.7 μm wavelength absorption to quantify the simultaneous CO2 concentration which is the primary variable of EGR rate (CO2 in the exhaust gas versus CO2 in the intake gas, %). A real-time laser absorption method was developed using a DFB (distributed feedback) diode laser and waveguide to make optimal design and control of electronic EGR system required for `Euro-6' and `Tier 4 Final' NOx emission regulations. While EGR is effective to reduce NOx significantly, the amount of HC and CO is increased in the exhaust gas if EGR rate is not controlled based on driving conditions. Therefore, it is important to recirculate an appropriate amount of exhaust gas in the operation condition generating high volume of NOx. In this study, we evaluated basic characteristics and functions of our optical sensor and studied basically in order to find out optimal design condition. We demonstrated CO2 measurement speed, accuracy and linearity as making a condition similar to real engine through the bench-scale experiment.

Regional energy resource development and energy security under CO2 emission constraint in the greater Mekong sub-region countries (GMS)

International Nuclear Information System (INIS)

Watcharejyothin, Mayurachat; Shrestha, Ram M.

2009-01-01

The paper evaluates effects of energy resource development within the Greater Mekong Sub-region (GMS) on energy supply mix, energy system cost, energy security and environment during 2000-2035. A MARKAL-based integrated energy system model of the five GMS countries was developed to examine benefits of regional energy resource development for meeting the energy demand of these countries. The study found that an unrestricted energy resource development and trade within the region would reduce the total-regional energy systems cost by 18% and would abate the total CO 2 emission by 5% as compared to the base case. All the five countries except Myanmar would benefit from the expansion of regional energy resource integration in terms of lower energy systems costs and better environmental qualities. An imposition of CO 2 emission reduction constraint by 5% on each of the study countries from that of the corresponding emissions under the unrestricted energy resource development in the GMS is found to improve energy security, reduce energy import and fossil fuels dependences and increase volume of power trade within the region. The total energy system cost under the joint CO 2 emission reduction strategy would be less costly than that under the individual emission targets set for each country.

Unoccupied electronic state of delafossite-type PdCoO2 single crystal probed using inverse photoemission spectroscopy

International Nuclear Information System (INIS)

Higuchi, Tohru; Tsukamoto, Takeyo; Hasegawa, Masashi; Tanaka, Masayuki; Takei, Humihiko; Shin, Shik

2004-01-01

The unoccupied electronic state of delafossite-type PdCoO 2 has been studied using inverse-photoemission spectroscopy (IPES). The Fermi edge and the unoccupied density-of-state (DOS) at the Fermi level (E F ) are not observed in the IPES spectrum measured at the incidence electron energy (E K ) of 100 eV, which corresponds to the Cooper minimum of Pd 4d. The finite DOS at E F is observed in the IPES spectra measured at the lower E K , which the ionization cross section of Pd 4d increases. These findings indicate that the Pd 4d electron is closely related to the low electrical resistivity of PdCoO 2 . (author)

Electronic structure, magnetism and disorder in the Heusler compound Co2TiSn

International Nuclear Information System (INIS)

Kandpal, Hem Chandra; Ksenofontov, Vadim; Wojcik, Marek; Seshadri, Ram; Felser, Claudia

2007-01-01

Polycrystalline samples of the Heusler compound Co 2 TiSn have been prepared and studied using bulk techniques (x-ray diffraction and magnetization) as well as local probes ( 119 Sn Moessbauer spectroscopy and 59 Co nuclear magnetic resonance spectroscopy) in order to determine how disorder affects the half-metallic behaviour and also to establish the joint use of Moessbauer and NMR spectroscopies as a quantitative probe of local atom ordering in these compounds. Additionally, density functional electronic structure calculations on ordered and partially disordered Co 2 TiSn compounds have been carried out at a number of different levels of theory in order to simultaneously understand how the particular choice of DFT scheme as well as disorder affects the computed magnetization. Our studies suggest that a sample which seems well ordered by x-ray diffraction and magnetization measurements can possess up to 10% of antisite (Co/Ti) disordering. Computations similarly suggest that even 12.5% antisite Co/Ti disorder does not destroy the half-metallic character of this material. However, the use of an appropriate level of non-local DFT is crucial

Electronic structure study of Co doped CeO2 nanoparticles using X-ray absorption fine structure spectroscopy

International Nuclear Information System (INIS)

Kumar, Shalendra; Gautam, Sanjeev; Song, T.K.; Chae, Keun Hwa; Jang, K.W.; Kim, S.S.

2014-01-01

Highlights: • The electronic structural of Co–CeO 2 nanoparticles is investigated using XAFS. • Ce M 5,4 , Ce L 3 and O K edge NEXAFS reveal that the Ce-ions are in +4 valence state. • The NEXAFS spectrum performed at Co L3,2-edge confirms Co-ion in 2+ state. • The EXAFS analysis also show that Co ions are occupying Ce position in doped CeO 2 . • The distances between Ce–O and Ce–Ce/Co in all shells decreases with Co doping. - Abstract: We investigated the electronic structure of well characterized Co doped CeO 2 nanoparticles using X-ray absorption fine structure (XAFS) spectroscopy. Near edge X-ray absorption fine structure (NEXAFS) spectra at Ce M 5,4 , Ce L 3 and O K-edge conclude that the Ce-ions are in +4 valence state in pure as well as in Co doped CeO 2 nanoparticles. The local structure around Ce-atom in Co doped CeO 2 nanoparticles was also determined using extended X-ray absorption fine structure (EXAFS) spectroscopy at Ce L 3 edge. The EXAFS analysis suggest that the inter-atomic distance of Ce–O, Ce–Ce/Co decreases with Co doping, which indicate a contraction of the lattice. The decease in Ce–O distance also reflect that there is a formation of oxygen vacancies in CeO 2 matrix. The Debye–Waller factor also shows the consistent behaviour for all the coordination shells. The atomic multiplet calculations for Co L 3,2 -edge was performed to determine the valence state, symmetry and field splitting, which reflect that Co-ions are in 2+ state and substituted at Ce-site with crystal field splitting of 10Dq=-0.57eV. The XAFS measurements reveal that the Co-ions occupy the Ce position in the CeO 2 host matrix and create a oxygen vacancy

Pulse height measurements and electron attachment in drift chambers operated with Xe,CO2 mixtures

CERN Document Server

Andronic, A

2003-01-01

We present pulse height measurements in drift chambers operated with Xe,CO2 gas mixtures. We investigate the attachment of primary electrons on oxygen and SF6 contaminants in the detection gas. The measurements are compared with simulations of properties of drifting electrons. We present two methods to check the gas quality: gas chromatography and Fe55 pulse height measurements using monitor detectors.

Pulse height measurements and electron attachment in drift chambers operated with Xe,CO2 mixtures

International Nuclear Information System (INIS)

Andronic, A.; Appelshaeuser, H.; Blume, C.; Braun-Munzinger, P.; Bucher, D.; Busch, O.; Ramirez, A.C.A. Castillo; Catanescu, V.; Ciobanu, M.; Daues, H.; Devismes, A.; Emschermann, D.; Fateev, O.; Garabatos, C.; Herrmann, N.; Ivanov, M.; Mahmoud, T.; Peitzmann, T.; Petracek, V.; Petrovici, M.; Reygers, K.; Sann, H.; Santo, R.; Schicker, R.; Sedykh, S.; Shimansky, S.; Simon, R.S.; Smykov, L.; Soltveit, H.K.; Stachel, J.; Stelzer, H.; Tsiledakis, G.; Vulpescu, B.; Wessels, J.P.; Windelband, B.; Winkelmann, O.; Xu, C.; Zaudtke, O.; Zanevsky, Yu.; Yurevich, V.

2003-01-01

We present pulse height measurements in drift chambers operated with Xe,CO 2 gas mixtures. We investigate the attachment of primary electrons on oxygen and SF 6 contaminants in the detection gas. The measurements are compared with simulations of properties of drifting electrons. We present two methods to check the gas quality: gas chromatography and 55 Fe pulse height measurements using monitor detectors

CO2 adsorption on Fe-doped graphene nanoribbons: First principles electronic transport calculations

Directory of Open Access Journals (Sweden)

G. R. Berdiyorov

2016-12-01

Full Text Available Decoration of graphene with metals and metal-oxides is known to be one of the effective methods to enhance gas sensing and catalytic properties of graphene. We use density functional theory in combination with the nonequilibrium Green’s function formalism to study the conductance response of Fe-doped graphene nanoribbons to CO2 gas adsorption. A single Fe atom is either adsorbed on graphene’s surface (aFe-graphene or it substitutes the carbon atom (sFe-graphene. Metal atom doping reduces the electronic transmission of pristine graphene due to the localization of electronic states near the impurities. The reduction in the transmission is more pronounced in the case of aFe-graphene. In addition, the aFe-graphene is found to be less sensitive to the CO2 molecule attachment as compared to the sFe-graphene system. Pristine graphene is also found to be less sensitive to the molecular adsorption. Since the change in the conductivity is one of the main outputs of sensors, our findings will be useful in developing graphene-based solid-state gas sensors.

High spin-polarization in ultrathin Co2MnSi/CoPd multilayers

Science.gov (United States)

Galanakis, I.

2015-03-01

Half-metallic Co2MnSi finds a broad spectrum of applications in spintronic devices either in the form of thin films or as spacer in multilayers. Using state-of-the-art ab-initio electronic structure calculations we exploit the electronic and magnetic properties of ultrathin Co2MnSi/CoPd multilayers. We show that these heterostructures combine high values of spin-polarization at the Co2MnSi spacer with the perpendicular magnetic anisotropy of binary compounds such as CoPd. Thus they could find application in spintronic/magnetoelectronic devices.

Electron-neutral scattering cross sections for CO2: a complete and consistent set and an assessment of dissociation

International Nuclear Information System (INIS)

Grofulović, Marija; Alves, Luís L; Guerra, Vasco

2016-01-01

This work proposes a complete and consistent set of cross sections for electron collisions with carbon dioxide (CO 2 ) molecules to be published in the IST-Lisbon database with LXCat. The set is validated from the comparison between swarm parameters calculated using a two-term Boltzmann solver and the available experimental data. The importance of superelastic collisions with CO 2 (0 1 0) molecules at low values of the reduced electric field is discussed. Due to significant uncertainties, there are ongoing debates regarding the deconvolution of cross sections that describe generic energy losses at specific energy thresholds into cross sections that describe individual processes. An important example of these uncertainties is with the dissociation of CO 2 , for which the total electron impact dissociation cross section has not yet been unambiguously identified. The available dissociation cross sections are evaluated and discussed, and a strategy to obtain electron-impact dissociation rate coefficients is suggested. (paper)

Electrical/thermal transport and electronic structure of the binary cobalt pnictides CoPn2 (Pn = As and Sb

Directory of Open Access Journals (Sweden)

Yosuke Goto

2015-06-01

Full Text Available We demonstrate the electrical and thermal transport properties of polycrystalline CoPn2 (Pn = As and Sb between 300 and 900 K. CoAs2 shows semiconducting electrical transport up to 900 K, while CoSb2 exhibits degenerate conduction. Sign inversion of the Seebeck coefficient is observed at ∼310 and ∼400 K for CoAs2 and CoSb2, respectively. Thermal conductivity at 300 K is 11.7 Wm−1K−1 for CoAs2 and 9.4 Wm−1K−1 for CoSb2. The thermoelectric power factor of CoAs2 is ∼10 μWcm−1K−2, although the dimensionless figure of merit is limited to ∼0.1 due to relatively high thermal conductivity. Using electronic structure calculations, the band gap value is calculated to be 0.55 eV for CoAs2 and 0.26 eV for CoSb2.

Electron-beam induced deposition and autocatalytic decomposition of Co(CO3NO

Directory of Open Access Journals (Sweden)

Florian Vollnhals

2014-07-01

Full Text Available The autocatalytic growth of arbitrarily shaped nanostructures fabricated by electron beam-induced deposition (EBID and electron beam-induced surface activation (EBISA is studied for two precursors: iron pentacarbonyl, Fe(CO5, and cobalt tricarbonyl nitrosyl, Co(CO3NO. Different deposits are prepared on silicon nitride membranes and silicon wafers under ultrahigh vacuum conditions, and are studied by scanning electron microscopy (SEM and scanning transmission X-ray microscopy (STXM, including near edge X-ray absorption fine structure (NEXAFS spectroscopy. It has previously been shown that Fe(CO5 decomposes autocatalytically on Fe seed layers (EBID and on certain electron beam-activated surfaces, yielding high purity, polycrystalline Fe nanostructures. In this contribution, we investigate the growth of structures from Co(CO3NO and compare it to results obtained from Fe(CO5. Co(CO3NO exhibits autocatalytic growth on Co-containing seed layers prepared by EBID using the same precursor. The growth yields granular, oxygen-, carbon- and nitrogen-containing deposits. In contrast to Fe(CO5 no decomposition on electron beam-activated surfaces is observed. In addition, we show that the autocatalytic growth of nanostructures from Co(CO3NO can also be initiated by an Fe seed layer, which presents a novel approach to the fabrication of layered nanostructures.

Regional energy resource development and energy security under CO{sub 2} emission constraint in the greater Mekong sub-region countries (GMS)

Energy Technology Data Exchange (ETDEWEB)

Watcharejyothin, Mayurachat; Shrestha, Ram M. [School of Environment, Resources and Development, Asian Institute of Technology (Thailand)

2009-11-15

The paper evaluates effects of energy resource development within the Greater Mekong Sub-region (GMS) on energy supply mix, energy system cost, energy security and environment during 2000-2035. A MARKAL-based integrated energy system model of the five GMS countries was developed to examine benefits of regional energy resource development for meeting the energy demand of these countries. The study found that an unrestricted energy resource development and trade within the region would reduce the total-regional energy systems cost by 18% and would abate the total CO{sub 2} emission by 5% as compared to the base case. All the five countries except Myanmar would benefit from the expansion of regional energy resource integration in terms of lower energy systems costs and better environmental qualities. An imposition of CO{sub 2} emission reduction constraint by 5% on each of the study countries from that of the corresponding emissions under the unrestricted energy resource development in the GMS is found to improve energy security, reduce energy import and fossil fuels dependences and increase volume of power trade within the region. The total energy system cost under the joint CO{sub 2} emission reduction strategy would be less costly than that under the individual emission targets set for each country. (author)

Vibrational excitation of D2 by low energy electrons

International Nuclear Information System (INIS)

Buckman, S.J.; Phelps, A.V.

1985-01-01

Excitation coefficients for the production of vibrationally exicted D 2 by low energy electrons have been determined from measurements of the intensity of infrared emission from mixtures of D 2 and small concentrations of CO 2 or CO. The measurements were made using the electron drift tube technique and covered electric field to gas density ratios (E/n) from (5 to 80) x 10 -21 V m 2 , corresponding to mean electron energies between 0.45 and 4.5 eV. The CO 2 and CO concentrations were chosen to allow efficient excitation transfer from the D 2 to the carbon containing molecule, but to minimize direct excitation of the CO 2 or CO. The measured infrared intensities were normalized to predicted values for N 2 --CO 2 and N 2 --CO mixtures at E/n where the efficiency of vibrational excitation is known to be very close to 100%. The experimental excitation coefficients are in satisfactory agreement with predictions based on electron--D 2 cross sections at mean electron energies below 1 eV, but are about 50% too high at mean energies above about 2 eV. Application of the technique to H 2 did not yield useful vibrational excitation coefficients. The effective coefficients in H 2 --CO 2 mixtures were a factor of about 3 times the predicted values. For our H 2 --CO mixtures the excitation of CO via excitation transfer from H 2 is small compared to direct electron excitation of CO molecules. Published experiments and theories on electron--H 2 and electron--D 2 collisions are reviewed to obtain the cross sections used in the predictions

CO2 sequestration: Storage capacity guideline needed

Science.gov (United States)

Frailey, S.M.; Finley, R.J.; Hickman, T.S.

2006-01-01

Petroleum reserves are classified for the assessment of available supplies by governmental agencies, management of business processes for achieving exploration and production efficiency, and documentation of the value of reserves and resources in financial statements. Up to the present however, the storage capacity determinations made by some organizations in the initial CO2 resource assessment are incorrect technically. New publications should thus cover differences in mineral adsorption of CO2 and dissolution of CO2 in various brine waters.

Electronic Resource Management Systems

Directory of Open Access Journals (Sweden)

Mark Ellingsen

2004-10-01

Full Text Available Computer applications which deal with electronic resource management (ERM are quite a recent development. They have grown out of the need to manage the burgeoning number of electronic resources particularly electronic journals. Typically, in the early years of e-journal acquisition, library staff provided an easy means of accessing these journals by providing an alphabetical list on a web page. Some went as far as categorising the e-journals by subject and then grouping the journals either on a single web page or by using multiple pages. It didn't take long before it was recognised that it would be more efficient to dynamically generate the pages from a database rather than to continually edit the pages manually. Of course, once the descriptive metadata for an electronic journal was held within a database the next logical step was to provide administrative forms whereby that metadata could be manipulated. This in turn led to demands for incorporating more information and more functionality into the developing application.

High spin-polarization in ultrathin Co2MnSi/CoPd multilayers

International Nuclear Information System (INIS)

Galanakis, I.

2015-01-01

Half-metallic Co 2 MnSi finds a broad spectrum of applications in spintronic devices either in the form of thin films or as spacer in multilayers. Using state-of-the-art ab-initio electronic structure calculations we exploit the electronic and magnetic properties of ultrathin Co 2 MnSi/CoPd multilayers. We show that these heterostructures combine high values of spin-polarization at the Co 2 MnSi spacer with the perpendicular magnetic anisotropy of binary compounds such as CoPd. Thus they could find application in spintronic/magnetoelectronic devices. - Highlights: • Ab-initio study of ultrathin Co 2 MnSi/CoPd multilayers. • Large values of spin-polarization at the Fermi are retained. • Route for novel spintronic/magnetoelectronic devices

X-ray spectra, chemical bonding, and electron structure of ScM2Si2 (M = Fe, Co, Ni)

International Nuclear Information System (INIS)

Shcherba, I.D.; Kotur, B.Ya.

1990-01-01

In a study of the interaction of the components in the ternary systems Sc-M-Si (where M is a 3d transition metal) it was established that there are compounds of the empirical formula ScM 2 Si 2 (M = Fe, Co, Ni). They crystallize in two structural types, HfFe 2 Si 2 (the compound ScFe 2 Si 2 ) and CeGa 2 Al 2 (ScCo 2 Si 2 and ScNi 2 Si 2 ) (ref. 1), leading to different coordination environment of the atoms in the structures of the compounds. With the aim of investigating the electron structure and the type ofin these compounds, they authors made a systematic x-ray spectral investigation with simultaneous analysis of the crystal structures of ScM 2 Si 2

A hybrid geothermal energy conversion technology: Auxiliary heating of geothermally preheated water or CO2 - a potential solution for low-temperature resources

Science.gov (United States)

Saar, Martin; Garapati, Nagasree; Adams, Benjamin; Randolph, Jimmy; Kuehn, Thomas

2016-04-01

Safe, sustainable, and economic development of deep geothermal resources, particularly in less favourable regions, often requires employment of unconventional geothermal energy extraction and utilization methods. Often "unconventional geothermal methods" is synonymously and solely used as meaning enhanced geothermal systems, where the permeability of hot, dry rock with naturally low permeability at greater depths (4-6 km), is enhanced. Here we present an alternative unconventional geothermal energy utilization approach that uses low-temperature regions that are shallower, thereby drastically reducing drilling costs. While not a pure geothermal energy system, this hybrid approach may enable utilization of geothermal energy in many regions worldwide that can otherwise not be used for geothermal electricity generation, thereby increasing the global geothermal resource base. Moreover, in some realizations of this hybrid approach that generate carbon dioxide (CO2), the technology may be combined with carbon dioxide capture and storage (CCS) and CO2-based geothermal energy utilization, resulting in a high-efficiency (hybrid) geothermal power plant with a negative carbon footprint. Typically, low- to moderate-temperature geothermal resources are more effectively used for direct heat energy applications. However, due to high thermal losses during transport, direct use requires that the heat resource is located near the user. Alternatively, we show here that if such a low-temperature geothermal resource is combined with an additional or secondary energy resource, the power production is increased compared to the sum from two separate (geothermal and secondary fuel) power plants (DiPippo et al. 1978) and the thermal losses are minimized because the thermal energy is utilized where it is produced. Since Adams et al. (2015) found that using CO2 as a subsurface working fluid produces more net power than brine at low- to moderate-temperature geothermal resource conditions, we

Glycine formation in CO2:CH4:NH3 ices induced by 0-70 eV electrons

Science.gov (United States)

Esmaili, Sasan; Bass, Andrew D.; Cloutier, Pierre; Sanche, Léon; Huels, Michael A.

2018-04-01

Glycine (Gly), the simplest amino-acid building-block of proteins, has been identified on icy dust grains in the interstellar medium, icy comets, and ice covered meteorites. These astrophysical ices contain simple molecules (e.g., CO2, H2O, CH4, HCN, and NH3) and are exposed to complex radiation fields, e.g., UV, γ, or X-rays, stellar/solar wind particles, or cosmic rays. While much current effort is focused on understanding the radiochemistry induced in these ices by high energy radiation, the effects of the abundant secondary low energy electrons (LEEs) it produces have been mostly assumed rather than studied. Here we present the results for the exposure of multilayer CO2:CH4:NH3 ice mixtures to 0-70 eV electrons under simulated astrophysical conditions. Mass selected temperature programmed desorption (TPD) of our electron irradiated films reveals multiple products, most notably intact glycine, which is supported by control measurements of both irradiated or un-irradiated binary mixture films, and un-irradiated CO2:CH4:NH3 ices spiked with Gly. The threshold of Gly formation by LEEs is near 9 eV, while the TPD analysis of Gly film growth allows us to determine the "quantum" yield for 70 eV electrons to be about 0.004 Gly per incident electron. Our results show that simple amino acids can be formed directly from simple molecular ingredients, none of which possess preformed C—C or C—N bonds, by the copious secondary LEEs that are generated by ionizing radiation in astrophysical ices.

Identification of the 2-hydroxyglutarate and isovaleryl-CoA dehydrogenases as alternative electron donors linking lysine catabolism to the electron transport chain of Arabidopsis mitochondria.

Science.gov (United States)

Araújo, Wagner L; Ishizaki, Kimitsune; Nunes-Nesi, Adriano; Larson, Tony R; Tohge, Takayuki; Krahnert, Ina; Witt, Sandra; Obata, Toshihiro; Schauer, Nicolas; Graham, Ian A; Leaver, Christopher J; Fernie, Alisdair R

2010-05-01

The process of dark-induced senescence in plants is relatively poorly understood, but a functional electron-transfer flavoprotein/electron-transfer flavoprotein:ubiquinone oxidoreductase (ETF/ETFQO) complex, which supports respiration during carbon starvation, has recently been identified. Here, we studied the responses of Arabidopsis thaliana mutants deficient in the expression of isovaleryl-CoA dehydrogenase and 2-hydroxyglutarate dehydrogenase to extended darkness and other environmental stresses. Evaluations of the mutant phenotypes following carbon starvation induced by extended darkness identify similarities to those exhibited by mutants of the ETF/ETFQO complex. Metabolic profiling and isotope tracer experimentation revealed that isovaleryl-CoA dehydrogenase is involved in degradation of the branched-chain amino acids, phytol, and Lys, while 2-hydroxyglutarate dehydrogenase is involved exclusively in Lys degradation. These results suggest that isovaleryl-CoA dehydrogenase is the more critical for alternative respiration and that a series of enzymes, including 2-hydroxyglutarate dehydrogenase, plays a role in Lys degradation. Both physiological and metabolic phenotypes of the isovaleryl-CoA dehydrogenase and 2-hydroxyglutarate dehydrogenase mutants were not as severe as those observed for mutants of the ETF/ETFQO complex, indicating some functional redundancy of the enzymes within the process. Our results aid in the elucidation of the pathway of plant Lys catabolism and demonstrate that both isovaleryl-CoA dehydrogenase and 2-hydroxyglutarate dehydrogenase act as electron donors to the ubiquinol pool via an ETF/ETFQO-mediated route.

Surface analysis of WC--Co composite materials (2) Quantitative Auger electron spectrometry

International Nuclear Information System (INIS)

Tongson, L.L.; Biggers, J.V.; Dayton, G.O.; Bind, J.M.; Knox, B.E.

1978-01-01

The unique sensitivity of Auger electron spectrometry (AES) to combined carbon has been exploited in measuring the surface compositions of hot-pressed, conventionally sintered and mixed powders of WC--Co composite materials. AES sensitivity factors for tungsten and carbon (in WC) relative to cobalt were determined. The concentrations of the major elements in hot-pressed samples measured with AES using the relative sensitivity method were compared to those obtained independently by electron microprobe (EMP) and x-ray fluorescence (XRF) techniques. Corollary studies using ion scattering spectrometry (ISS) showed the absence of (1) matrix effects in the AES measurements, (2) preferential sputtering during ion bombardment, and (3) deposition of the easier-to-sputter component (cobalt) onto WC

Electronic Resources Management Project Presentation 2012

KAUST Repository

Ramli, Rindra M.

2012-11-05

This presentation describes the electronic resources management project undertaken by the KAUST library. The objectives of this project is to migrate information from MS Sharepoint to Millennium ERM module. One of the advantages of this migration is to consolidate all electronic resources into a single and centralized location. This would allow for better information sharing among library staff.

Role of BaO/SrO layers in deciding the electronic structure of Cu0.3Co0.7Ba2-xSrxYCu2O7+δ (CoCu-1212) x = 0, 1 and 2

International Nuclear Information System (INIS)

Singh, Shiva Kumar; Husain, M.; Kishan, H.; Awana, V.P.S.

2011-01-01

Highlights: → Decrease in lattice parameters confirms replacement by Sr ion at Ba ion site. → XPS measurement shows that mixed Cu 1+/2+ and Co 3+/4+ valence state. → With increasing x, Cu valence is non-monotonous whereas Co valence is increasing. → Resistivity reveals that holes in Cu/CoO x planes are taking part in charge transport. → Paramagnetic nature is due to the presence Cu ions in Cu/CoO x chains/planes. - Abstract: In this paper we report the change in electronic structure of Cu 0.3 Co 0.7 Ba 2-x Sr x YCu 2 O 7+δ with change in structural pressure. Rietveld refined X-ray diffraction (XRD) pattern shows that the samples are phase pure. Decrease in lattice parameters with increasing x, confirms replacement by Sr ion at Ba ion site. The calculated tolerance factor of the systems is in accord with lattice parameter changes. The X-ray photoelectron spectroscopy (XPS) is made to find out the variation in ionic state of Co and Cu with ionic size variation in BaO/SrO layers. Effect of the same on the electronic structure and transport properties is explored. The XPS measurement reveals that Cu is in mixed 1+/2+ state and variation in valence state is non-monotonous with increasing x. Whereas Co is in mixed 3+/4+ state and with increasing x its valence state is increasing. The observed changes in electronic structure are subject of structural changes. The resistivity measurement shows that normal state conductivity decreases with increasing x. Resistivity behaviour indicates about holes in Cu/CoO x planes taking part in charge transport. The magnetic measurement (M-T and M-H) shows that paramagnetic nature for all the compositions. The presence of Cu ions in Cu/CoO x chains/planes results in paramagnetic behaviour.

Photoinduced electron transfer from organic semiconductors onto redox mediators for CO2

International Nuclear Information System (INIS)

Portenkirchner, E.

2014-01-01

In this work the photoinduced electron transfer from organic semiconductors onto redox mediator catalysts for CO 2 reduction has been investigated. In the beginning, the work focuses on the identication, characterization and test of suitable catalyst materials. For this purpose, rhenium compounds with 2,2'-bipyridine bis(arylimino) acenaphthene ligands and pyridinium were tested for molecular homogenous catalysis. Infrared, ultraviolet-visible (UV-Vis) and nuclear magnetic resonance (NMR) spectroscopy were used for initial characterization of the catalyst substances. Since the interpretation of infrared spectra was difficult for large molecules based on measured data only, additionally infrared absorption spectra obtained by quantum mechanical density functional theory(DFT) calculations were successfully used to correlate characteristic features in the measured spectra to their molecular origin. It was found that experimentally observed data and quantum chemical predictions for the infrared spectra of the novel compounds are in good agreement. Additionally, quantum mechanical calculations were carried out for the determination of molecular orbital frontier energy levels and correlated to UV-Vis absorption and cyclic voltammetry measurements. Extensive cyclic voltammetry measurements and bulk controlled-potential electrolysis experiments were performed using a N 2 - and CO 2 -saturated electrolyte solution. Together with a detailed product analysis via infrared spectroscopy, gas and ion chromatography the results allowed electrochemical characterizations of the novel catalysts regarding their suitability for electrochemical CO 2 reduction. Once suitable catalysts were identied, the materials were immobilized on the electrode surface by electro-polymerization of the catalyst (5,5'bisphenylethynyl-2,2'-bipyridyl)Re(CO) 3 Cl itself or by incorporation of (2,2'-bipyridyl)Re(CO) 3 Cl into a polypyrrole matrix, thereby changing from homogeneous to

CoCoMac 2.0 and the future of tract-tracing databases

Directory of Open Access Journals (Sweden)

Rembrandt eBakker

2012-12-01

Full Text Available The CoCoMac database contains the results of published axonal tract-tracing studies in the macaque brain. The combined data are used to construct the macaque macro-connectome. We discuss the redevelopment of CoCoMac and compare it to six connectome-related projects: two resources that provide online access to raw tracing data in rodents, a connectome viewer for advanced 3d graphics, a partial but highly detailed rat connectome, a brain data management system that generates custom connectivity matrices, and a software package that covers the complete pipeline from connectivity data to large scale brain simulations.The 2nd edition of CoCoMac features many enhancements over the original. For example, a search wizard is provided for full access to all tables. Connectivity matrices are computed on demand in a user selected nomenclature. An online data entry system is available as a preview, and is to become a generic solution for community-driven manual data entry.We end with the question whether tract-tracing will remain the gold standard to uncover the wiring of brains, thereby mentioning developments in human connectome construction, tracer substances, polarized light imaging and serial block face scanning electron microscopy.

Supra-molecular networks for CO2 capture

Science.gov (United States)

Sadowski, Jerzy; Kestell, John

Utilizing capabilities of low-energy electron microscopy (LEEM) for non-destructive interrogation of the real-time molecular self-assembly, we have investigated supramolecular systems based on carboxylic acid-metal complexes, such as trimesic and mellitic acid, doped with transition metals. Such 2D networks can act as host systems for transition-metal phthalocyanines (MPc; M = Fe, Ti, Sc). The electrostatic interactions of CO2 molecules with transition metal ions can be tuned by controlling the type of TM ion and the size of the pore in the host network. We further applied infrared reflection-absorption spectroscopy (IRRAS) to determine of the molecular orientation of the functional groups and the whole molecule in the 2D monolayers of carboxylic acid. The kinetics and mechanism of the CO2 adsorption/desorption on the 2D molecular network, with and without the TM ion doping, have been also investigated. This research used resources of the Center for Functional Nanomaterials, which is the U.S. DOE Office of Science User Facility, at Brookhaven National Laboratory under Contract No. DE-SC0012704.

Performance Limits of Photoelectrochemical CO2 Reduction Based on Known Electrocatalysts and the Case for Two-Electron Reduction Products

DEFF Research Database (Denmark)

Vesborg, Peter Christian Kjærgaard; Seger, Brian

2016-01-01

Solar-drivenreduction of CO2 to solar fuels as an alternative to H2 via water splitting is an intriguing proposition. We modelthe solar-to-fuel (STF) efficiencies using realistic parameters basedon recently reported CO2 reduction catalysts with a highperformance tandem photoabsorber structure. CO...... due to excessiveoverpotentials and poor selectivity. This work considers breakingup the multielectron reduction pathway into individually optimized,separate two-electron steps as a way forward....

PRINCIPLES OF CONTENT FORMATION EDUCATIONAL ELECTRONIC RESOURCE

Directory of Open Access Journals (Sweden)

О Ю Заславская

2017-12-01

Full Text Available The article considers modern possibilities of information and communication technologies for the design of electronic educational resources. The conceptual basis of the open educational multimedia system is based on the modular architecture of the electronic educational resource. The content of the electronic training module can be implemented in several versions of the modules: obtaining information, practical exercises, control. The regularities in the teaching process in modern pedagogical theory are considered: general and specific, and the principles for the formation of the content of instruction at different levels are defined, based on the formulated regularities. On the basis of the analysis, the principles of the formation of the electronic educational resource are determined, taking into account the general and didactic patterns of teaching.As principles of the formation of educational material for obtaining information for the electronic educational resource, the article considers: the principle of methodological orientation, the principle of general scientific orientation, the principle of systemic nature, the principle of fundamentalization, the principle of accounting intersubject communications, the principle of minimization. The principles of the formation of the electronic training module of practical studies in the article include: the principle of systematic and dose based consistency, the principle of rational use of study time, the principle of accessibility. The principles of the formation of the module for monitoring the electronic educational resource can be: the principle of the operationalization of goals, the principle of unified identification diagnosis.

Implementing CORAL: An Electronic Resource Management System

Science.gov (United States)

Whitfield, Sharon

2011-01-01

A 2010 electronic resource management survey conducted by Maria Collins of North Carolina State University and Jill E. Grogg of University of Alabama Libraries found that the top six electronic resources management priorities included workflow management, communications management, license management, statistics management, administrative…

Electronic and magnetic properties of the Co{sub 2}MnAl/Au interface: Relevance of the Heusler alloy termination

Energy Technology Data Exchange (ETDEWEB)

Makinistian, L., E-mail: lmakinistian@santafe-conicet.gov.ar [Instituto de Física del Litoral (CONICET-UNL), Güemes 3450, 3000 Santa Fe (Argentina); Facultad de Ingeniería, Universidad Nacional de Entre Ríos, 3101 Oro Verde (Argentina); Albanesi, E.A. [Instituto de Física del Litoral (CONICET-UNL), Güemes 3450, 3000 Santa Fe (Argentina); Facultad de Ingeniería, Universidad Nacional de Entre Ríos, 3101 Oro Verde (Argentina)

2015-07-01

We present ab initio calculations of electronic and magnetic properties of the ferromagnetic metal/normal metal (F/N) interface of the Heusler alloy Co{sub 2}MnAl and gold. Two structural models are implemented: one with the ferromagnet slab terminated in a pure cobalt plane (“Co{sub 2}-t”), and the other with it terminated with a plane of MnAl (“MnAl-t”). The relaxed optimum distance between the slabs is determined for the two models before densities of states, magnetic moments, and the electric potential are resolved and analyzed layer by layer through the interface. Complementary, calculations for the free surfaces of gold and the Heusler alloy (for both models, Co{sub 2}-t and MnAl-t) are performed for a better interpretation of the physics of the interface. We predict important differences between the two models, suggesting that both terminations are to be expected to display sensibly different spin injection performances. - Highlights: • Ab initio electronic and magnetic properties of the interface Co{sub 2}MnAl/Au. • Two terminations were studied: Co{sub 2} and MnAl terminated. • The termination of the Heusler alloy sensibly determines the interface properties. • The Co{sub 2} terminated interface displays a higher spin polarization.

Diffuse CO2 degassing studies to reveal hidden geothermal resources in oceanic volcanic islands: The Canarian archipelago case study

Science.gov (United States)

Rodríguez, F.; Perez, N. M.; García-Merino, M.; Padron, E.; Melián, G.; Asensio-Ramos, M.; Hernandez Perez, P. A.; Padilla, G.; Barrancos, J.; Cótchico, M. A.

2016-12-01

The Canary Islands, owing to their recent volcanism, are the only Spanish territory with potential high enthalpy geothermal resources. The final goal of geothermal exploration in a specific area is to locate and define the size, shape, structure of hidden geothermal resources, and determine their characteristics (fluid type, temperature, chemical composition an ability to produce energy). At those areas where there is not any evidence of endogenous fluids manifestations at surface, that traditionally evidence the presence of an active geothermal system) the geochemical methods for geothermal exploration must include soil gas surveys. This is the case of five mining licenses for geothermal exploration in the Canay Islands, four in Tenerife and one in Gran Canaria Island. We report herein the results of diffuse CO2 emission studies in the five mining licenses during 2011-2014. The primary objective of the study was to sort the possible geothermal potential of these five mining licenses, thus reducing the uncertainty inherent to the selection of the areas with highest geothermal potential for future exploration works. The criterion used to sort the different areas was the contribution of volcano-hydrothermal CO2 in the degassing at each study area. Several hundreds of measurements of diffuse CO2 emission, soil CO2 concentration and isotopic composition were performed at each study area. Based in three different endmembers (biogenic, atmospheric and deep-seated CO2) with different CO2 concentrations (100, 0.04 and 100% respectively) and isotopic compositions (-20, -8 and -3 per mil vs. VPDB respectively) a mass balance to distinguish the different contribution of each endmember in the soil CO2 at each sampling site was made. The percentage of the volcano-hydrothermal contribution in the current diffuse CO2 degassing was in the range 2-19%.The Abeque mining license, that comprises part of the north-west volcanic rift of Tenerife, seemed to show the highest geothermal

Pulse height measurements and electron attachment in drift chambers operated with Xe,CO{sub 2} mixtures

Energy Technology Data Exchange (ETDEWEB)

Andronic, A. E-mail: a.andronic@gsi.de; Appelshaeuser, H.; Blume, C.; Braun-Munzinger, P.; Bucher, D.; Busch, O.; Ramirez, A.C.A. Castillo; Catanescu, V.; Ciobanu, M.; Daues, H.; Devismes, A.; Emschermann, D.; Fateev, O.; Garabatos, C.; Herrmann, N.; Ivanov, M.; Mahmoud, T.; Peitzmann, T.; Petracek, V.; Petrovici, M.; Reygers, K.; Sann, H.; Santo, R.; Schicker, R.; Sedykh, S.; Shimansky, S.; Simon, R.S.; Smykov, L.; Soltveit, H.K.; Stachel, J.; Stelzer, H.; Tsiledakis, G.; Vulpescu, B.; Wessels, J.P.; Windelband, B.; Winkelmann, O.; Xu, C.; Zaudtke, O.; Zanevsky, Yu.; Yurevich, V

2003-02-11

We present pulse height measurements in drift chambers operated with Xe,CO{sub 2} gas mixtures. We investigate the attachment of primary electrons on oxygen and SF{sub 6} contaminants in the detection gas. The measurements are compared with simulations of properties of drifting electrons. We present two methods to check the gas quality: gas chromatography and {sup 55}Fe pulse height measurements using monitor detectors.

Managing electronic resources a LITA guide

CERN Document Server

Weir, Ryan O

2012-01-01

Informative, useful, current, Managing Electronic Resources: A LITA Guide shows how to successfully manage time, resources, and relationships with vendors and staff to ensure personal, professional, and institutional success.

Extreme Ultraviolet Emission Spectrum of CO_2 Induced by Electron Impact at 200 eV

Science.gov (United States)

Kanik, I.; Ajello, J. M.; James, G. K.

1993-01-01

We present the extreme ultraviolet (EUV) emission spectrum of CO_2 induced by electronimpact at 200 eV. There are 36 spectral features which are identified with a resolution of 0.5 nmover the wavelength range of 40 to 125 nm. Absolute emission cross sections were obtained for eachof these features. The EUV emission spectrum induced by electron impact consist of atomicmultiplets of CI,II and OI,II,III as well as CO and CO^+ molecular band systems produced bydissociative excitation. The CI (119.4 nm) multiplet is the strongest feature of CI with a peak crosssection of 3.61 x 10^(-19) cm^2 at 200 eV. The strongest feature of OI in the EUV spectrum is theOI (99.0 nm) multiplet with a peak cross section of 3.59 x 10^(-19) cm^2 at 200 eV.

Ab initio molecular dynamics simulations reveal localization and time evolution dynamics of an excess electron in heterogeneous CO2-H2O systems.

Science.gov (United States)

Liu, Ping; Zhao, Jing; Liu, Jinxiang; Zhang, Meng; Bu, Yuxiang

2014-01-28

In view of the important implications of excess electrons (EEs) interacting with CO2-H2O clusters in many fields, using ab initio molecular dynamics simulation technique, we reveal the structures and dynamics of an EE associated with its localization and subsequent time evolution in heterogeneous CO2-H2O mixed media. Our results indicate that although hydration can increase the electron-binding ability of a CO2 molecule, it only plays an assisting role. Instead, it is the bending vibrations that play the major role in localizing the EE. Due to enhanced attraction of CO2, an EE can stably reside in the empty, low-lying π(*) orbital of a CO2 molecule via a localization process arising from its initial binding state. The localization is completed within a few tens of femtoseconds. After EE trapping, the ∠OCO angle of the core CO2 (-) oscillates in the range of 127°∼142°, with an oscillation period of about 48 fs. The corresponding vertical detachment energy of the EE is about 4.0 eV, which indicates extreme stability of such a CO2-bound solvated EE in [CO2(H2O)n](-) systems. Interestingly, hydration occurs not only on the O atoms of the core CO2 (-) through formation of O⋯H-O H-bond(s), but also on the C atom, through formation of a C⋯H-O H-bond. In the latter binding mode, the EE cloud exhibits considerable penetration to the solvent water molecules, and its IR characteristic peak is relatively red-shifted compared with the former. Hydration on the C site can increase the EE distribution at the C atom and thus reduce the C⋯H distance in the C⋯H-O H-bonds, and vice versa. The number of water molecules associated with the CO2 (-) anion in the first hydration shell is about 4∼7. No dimer-core (C2O4 (-)) and core-switching were observed in the double CO2 aqueous media. This work provides molecular dynamics insights into the localization and time evolution dynamics of an EE in heterogeneous CO2-H2O media.

Surface thermodynamic stability, electronic and magnetic properties in various (001) surfaces of Zr2CoSn Heusler alloy

Science.gov (United States)

Yang, Yan; Feng, Zhong-Ying; Zhang, Jian-Min

2018-05-01

The spin-polarized first-principles are used to study the surface thermodynamic stability, electronic and magnetic properties in various (001) surfaces of Zr2CoSn Heusler alloy, and the bulk Zr2CoSn Heusler alloy are also discussed to make comparison. The conduction band minimum (CBM) of half-metallic (HM) bulk Zr2CoSn alloy is contributed by ZrA, ZrB and Co atoms, while the valence band maximum (VBM) is contributed by ZrB and Co atoms. The SnSn termination is the most stable surface with the highest spin polarizations P = 77.1% among the CoCo, ZrCo, ZrZr, ZrSn and SnSn terminations of the Zr2CoSn (001) surface. In the SnSn termination of the Zr2CoSn (001) surface, the atomic partial density of states (APDOS) of atoms in the surface, subsurface and third layers are much influenced by the surface effect and the total magnetic moment (TMM) is mainly contributed by the atomic magnetic moments of atoms in fourth to ninth layers.

Cold cathode electron guns in the LASL high power short-pulse CO2 laser program

International Nuclear Information System (INIS)

Singer, S.; Ladish, J.S.; Nutter, M.J.

1975-01-01

The Electron Beam Controlled Discharge CO 2 Laser is now firmly established as the only high power short pulse laser amplifier that has been demonstrated to have scaling capabilities to large apertures and energies much greater than 100 J. These devices require a beam of energetic electrons to control the gas discharge that produces the required population inversion. Until recently, the electron source was usually a thermionic emitter, even for rather large lasers, whose heater requirements dwarfed the pulsed energies associated with the transient operation of the laser. With the advent of reliable cold-cathode electron guns, the operation of these lasers has been greatly simplified. At LASL, there are four electron beam controlled laser systems which are in operation, under construction, or in design: the 1 kJ system, now operational; the 2.5 kJ system; the 10 kJ system; and the 100 kJ system. Only the first uses thermionic-emitter electron guns; the remainder use or will use cold cathode sources. The operation of the 200 x 35 cm 2 two sided cold cathode electron gun used in the 2.5 kJ laser system and to be used in the 10 kJ laser is described

High spin-polarization in ultrathin Co{sub 2}MnSi/CoPd multilayers

Energy Technology Data Exchange (ETDEWEB)

Galanakis, I., E-mail: galanakis@upatras.gr

2015-03-01

Half-metallic Co{sub 2}MnSi finds a broad spectrum of applications in spintronic devices either in the form of thin films or as spacer in multilayers. Using state-of-the-art ab-initio electronic structure calculations we exploit the electronic and magnetic properties of ultrathin Co{sub 2}MnSi/CoPd multilayers. We show that these heterostructures combine high values of spin-polarization at the Co{sub 2}MnSi spacer with the perpendicular magnetic anisotropy of binary compounds such as CoPd. Thus they could find application in spintronic/magnetoelectronic devices. - Highlights: • Ab-initio study of ultrathin Co{sub 2}MnSi/CoPd multilayers. • Large values of spin-polarization at the Fermi are retained. • Route for novel spintronic/magnetoelectronic devices.

Experimental and theoretical electron-beam-sustained CO2 laser output at approx. 200 and approx. 3000K

International Nuclear Information System (INIS)

Douglas-Hamilton, D.H.; Feinberg, R.M.; Lowder, R.S.

1975-01-01

A six-temperature kinetic model of the He : He 2 Co 2 : N 2 : CO laser system is developed, in which five temperatures describe the vibrational excitation of the three CO 2 modes, N 2 , and CO, while the sixth refers to the kinetic temperature. Theoretical predictions of gain and laser output are compared with experiments performed on an electron-beam sustained laser used at atmospheric pressure. Gain and laser measurements have been made with initial gas temperature near 200 and 300 degreeK. A stable discharge can be produced in this type of laser in gas mixtures containing no He, and successful electric laser operation has been demonstrated using H 2 as CO 2 ν 2 deactivant. Various gas mixtures have been investigated experimentally and theoretically; specific output J>100 J/liter atm was obtained both in He : N 2 : CO 2 : H 2 3 : 2 : 1 : 0 and 0 : 3 : 1 : 0.08, with efficiencies near 30%. While the gain measured appears to peak later and decay later than predicted, in all laser output measurements there is good agreement between theoretical prediction and experiment

Absolute measurements of light emission from CO2/+/ and CO in the interaction of He/2 super 3 S/ with CO2.

Science.gov (United States)

Wauchop, T. S.; Broida, H. P.

1972-01-01

A flowing afterglow has been used to produce metastable He(2 super 3 S). It is shown that when He(2 super 3 S) interacts with a diatomic or triatomic molecule, its electronic excitation energy can be transferred to electronic and vibrational excitation of the molecule. To examine this mechanism, the rates for the production of electronically excited molecules, observed spectroscopically between 190 and 750 nm in the reaction of He(2 super 3 S) with CO2, have been measured. Results are tabulated.

Magnetic Properties of Electron-Doped LaCoO3

Science.gov (United States)

Tomiyasu, Keisuke; Sato, Mika; Koyama, Shun-Ichi; Nojima, Tsutomu; Kajimoto, Ryoichi; Ji, Sungdae; Iwasa, Kazuaki

2017-09-01

We studied electron-doped LaCo1 - yTey6 + O3 by magnetization measurements and neutron scattering. The effective Bohr magneton, estimated by Curie-Weiss fitting around room temperature, is independent of y. This suggests that magnetic Co3+(HS), not nonmagnetic Co3+(LS), is mainly replaced by doped magnetic Co2+(HS). At the lowest temperatures, a Brillouin-function-like saturating behavior persists in the magnetization curves even in the high-y samples, and neither a clear magnetic reflection nor magnetic dispersion is observed by neutron scattering. These findings indicate that the magnetic correlation is very weak, in contrast to the well-known hole-doped LaCoO3 accompanied by a drastic transition to a ferromagnetic metal. However, we also found that the low-y samples exhibit nonnegligible enhancement of the saturated magnetization by ˜2μB per a doped electron. All these characteristics are discussed in the light of the activation and inactivation of a spin-state blockade.

Photoionization of Co+ and electron-impact excitation of Co2 + using the Dirac R-matrix method

Science.gov (United States)

Tyndall, N. B.; Ramsbottom, C. A.; Ballance, C. P.; Hibbert, A.

2016-11-01

Modelling of massive stars and supernovae (SNe) plays a crucial role in understanding galaxies. From this modelling we can derive fundamental constraints on stellar evolution, mass-loss processes, mixing, and the products of nucleosynthesis. Proper account must be taken of all important processes that populate and depopulate the levels (collisional excitation, de-excitation, ionization, recombination, photoionization, bound-bound processes). For the analysis of Type Ia SNe and core collapse SNe (Types Ib, Ic and II) Fe group elements are particularly important. Unfortunately little data is currently available and most noticeably absent are the photoionization cross-sections for the Fe-peaks which have high abundances in SNe. Important interactions for both photoionization and electron-impact excitation are calculated using the relativistic Dirac atomic R-matrix codes (DARC) for low-ionization stages of Cobalt. All results are calculated up to photon energies of 45 eV and electron energies up to 20 eV. The wavefunction representation of Co III has been generated using GRASP0 by including the dominant 3d7, 3d6[4s, 4p], 3p43d9 and 3p63d9 configurations, resulting in 292 fine structure levels. Electron-impact collision strengths and Maxwellian averaged effective collision strengths across a wide range of astrophysically relevant temperatures are computed for Co III. In addition, statistically weighted level-resolved ground and metastable photoionization cross-sections are presented for Co II and compared directly with existing work.

The Value of CO2-Geothermal Bulk Energy Storage to Reducing CO2 Emissions Compared to Conventional Bulk Energy Storage Technologies

Science.gov (United States)

Ogland-Hand, J.; Bielicki, J. M.; Buscheck, T. A.

2016-12-01

Sedimentary basin geothermal resources and CO2 that is captured from large point sources can be used for bulk energy storage (BES) in order to accommodate higher penetration and utilization of variable renewable energy resources. Excess energy is stored by pressurizing and injecting CO2 into deep, porous, and permeable aquifers that are ubiquitous throughout the United States. When electricity demand exceeds supply, some of the pressurized and geothermally-heated CO2 can be produced and used to generate electricity. This CO2-BES approach reduces CO2 emissions directly by storing CO2 and indirectly by using some of that CO2 to time-shift over-generation and displace CO2 emissions from fossil-fueled power plants that would have otherwise provided electricity. As such, CO2-BES may create more value to regional electricity systems than conventional pumped hydro energy storage (PHES) or compressed air energy storage (CAES) approaches that may only create value by time-shifting energy and indirectly reducing CO2 emissions. We developed and implemented a method to estimate the value that BES has to reducing CO2 emissions from regional electricity systems. The method minimizes the dispatch of electricity system components to meet exogenous demand subject to various CO2 prices, so that the value of CO2 emissions reductions can be estimated. We applied this method to estimate the performance and value of CO2-BES, PHES, and CAES within real data for electricity systems in California and Texas over the course of a full year to account for seasonal fluctuations in electricity demand and variable renewable resource availability. Our results suggest that the value of CO2-BES to reducing CO2 emissions may be as much as twice that of PHES or CAES and thus CO2-BES may be a more favorable approach to energy storage in regional electricity systems, especially those where the topography is not amenable to PHES or the subsurface is not amenable to CAES.

Importance of conduction electron correlation in a Kondo lattice, Ce₂CoSi₃.

Science.gov (United States)

Patil, Swapnil; Pandey, Sudhir K; Medicherla, V R R; Singh, R S; Bindu, R; Sampathkumaran, E V; Maiti, Kalobaran

2010-06-30

Kondo systems are usually described by the interaction of the correlation induced local moments with the highly itinerant conduction electrons. Here, we study the role of electron correlations among conduction electrons in the electronic structure of a Kondo lattice compound, Ce₂CoSi₃, using high resolution photoemission spectroscopy and ab initio band structure calculations, where Co 3d electrons contribute in the conduction band. High energy resolution employed in the measurements helped to reveal the signatures of Ce 4f states derived Kondo resonance features at the Fermi level and the dominance of Co 3d contributions at higher binding energies in the conduction band. The lineshape of the experimental Co 3d band is found to be significantly different from that obtained from the band structure calculations within the local density approximations, LDA. Consideration of electron-electron Coulomb repulsion, U, among Co 3d electrons within the LDA + U method leads to a better representation of experimental results. The signature of an electron correlation induced satellite feature is also observed in the Co 2p core level spectrum. These results clearly demonstrate the importance of the electron correlation among conduction electrons in deriving the microscopic description of such Kondo systems.

Identification of the 2-Hydroxyglutarate and Isovaleryl-CoA Dehydrogenases as Alternative Electron Donors Linking Lysine Catabolism to the Electron Transport Chain of Arabidopsis Mitochondria[W][OA

Science.gov (United States)

Araújo, Wagner L.; Ishizaki, Kimitsune; Nunes-Nesi, Adriano; Larson, Tony R.; Tohge, Takayuki; Krahnert, Ina; Witt, Sandra; Obata, Toshihiro; Schauer, Nicolas; Graham, Ian A.; Leaver, Christopher J.; Fernie, Alisdair R.

2010-01-01

The process of dark-induced senescence in plants is relatively poorly understood, but a functional electron-transfer flavoprotein/electron-transfer flavoprotein:ubiquinone oxidoreductase (ETF/ETFQO) complex, which supports respiration during carbon starvation, has recently been identified. Here, we studied the responses of Arabidopsis thaliana mutants deficient in the expression of isovaleryl-CoA dehydrogenase and 2-hydroxyglutarate dehydrogenase to extended darkness and other environmental stresses. Evaluations of the mutant phenotypes following carbon starvation induced by extended darkness identify similarities to those exhibited by mutants of the ETF/ETFQO complex. Metabolic profiling and isotope tracer experimentation revealed that isovaleryl-CoA dehydrogenase is involved in degradation of the branched-chain amino acids, phytol, and Lys, while 2-hydroxyglutarate dehydrogenase is involved exclusively in Lys degradation. These results suggest that isovaleryl-CoA dehydrogenase is the more critical for alternative respiration and that a series of enzymes, including 2-hydroxyglutarate dehydrogenase, plays a role in Lys degradation. Both physiological and metabolic phenotypes of the isovaleryl-CoA dehydrogenase and 2-hydroxyglutarate dehydrogenase mutants were not as severe as those observed for mutants of the ETF/ETFQO complex, indicating some functional redundancy of the enzymes within the process. Our results aid in the elucidation of the pathway of plant Lys catabolism and demonstrate that both isovaleryl-CoA dehydrogenase and 2-hydroxyglutarate dehydrogenase act as electron donors to the ubiquinol pool via an ETF/ETFQO-mediated route. PMID:20501910

Parameters of thermoelectric power and electronic structure of Yb-based compounds of YbM2X2(M=Fe,Co,Ni,Cu; X=Si,Ge) type

International Nuclear Information System (INIS)

Levin, E.M.; Kuzhel', B.S.

1990-01-01

Thermoelectric power of Yb-based intermetallic alloys YbM 2 Si 2 (M-Co,Ni,Cu) and YbM 2 Ge 2 (M=Fe,Co,Ni) have been investigated and found to have anomalous low-temperature peaks conditioned by intermediate Yb valency. Calculation of electronic structure parameters performed in frames of the localized Fermi-liquid model using experimental data on the thermoelectric power is in good agreement with results of YbCu 2 Si 2 band structure calculation based on the experimental value of the electronic heat capacity with regard for the (2J+1) - fold Yb 2+ degeneration

Improved solar-driven photocatalytic performance of Ag_2CO_3/(BiO)_2CO_3 prepared in-situ

International Nuclear Information System (INIS)

Zhong, Junbo; Li, Jianzhang; Huang, Shengtian; Cheng, Chaozhu; Yuan, Wei; Li, Minjiao; Ding, Jie

2016-01-01

Highlights: • Ag_2CO_3/(BiO)_2CO_3 photocatalysts were prepared in-situ. • The photo-induced charge separation rate has been greatly increased. • The photocatalytic activity has been greatly promoted. - Abstract: Ag_2CO_3/(BiO)_2CO_3 composites have been fabricated in-situ via a facile parallel flaw co-precipitation method. The specific surface area, structure, morphology, and the separation rate of photo-induced charge pairs of the photocatalysts were characterized by Brunauer–Emmett–Teller (BET) method, X-ray diffraction (XRD), UV–vis diffuse reflectance spectroscopy(DRS), scanning electron microscopy (SEM), high-resolution transmission electron microscopy (HRTEM), and surface photovoltage (SPV) spectroscopy, respectively. XRD patterns and DRS demonstrated that Ag_2CO_3 has no effect on the crystal phase and bandgap of (BiO)_2CO_3. The existence of Ag_2CO_3 in the composites enhances the separation rate of photo-induced charge pairs of the photocatalysts. The photocatalytic performance of Ag_2CO_3/(BiO)_2CO_3 was evaluated by the decolorization of methyl orange (MO) aqueous solution under simulated solar irradiation. It was found that the simulated solar-induced photocatalytic activity of Ag_2CO_3/(BiO)_2CO_3 copmposites was significantly improved, which was mainly attributed to the enhanced surface area and the separation rate of photo-induced charge pairs.

Towards explaining excess CO2 production in wetlands - the roles of solid and dissolved organic matter as electron acceptors and of substrate quality

Science.gov (United States)

Knorr, Klaus-Holger; Gao, Chuanyu; Agethen, Svenja; Sander, Michael

2017-04-01

To understand carbon storage in water logged, anaerobic peatlands, factors controlling mineralization have been studied for decades. Temperature, substrate quality, water table position and the availability of electron acceptors for oxidation of organic carbon have been identified as major factors. However, many studies reported an excess carbon dioxide (CO2) production over methane (CH4) that cannot be explained by available electron acceptors, and peat soils did not reach strictly methanogenic conditions (i.e., a stoichiometric formation ratio of 1:1 of CO2 to CH4). It has been hypothesized that peat organic matter (OM) provides a previously unrecognized electron acceptor for microbial respiration, elevating CO2 to CH4 ratios. Microbial reduction of dissolved OM has been shown in the mid 90's, but only recently mediated electrochemical techniques opened the possibility to access stocks and changes in electron accepting capacities (EAC) of OM in dissolved and solid form. While it was shown that the EAC of OM follows redox cycles of microbial reduction and O2 reoxidation, changes in the EAC of OM were so far not related quantitatively to CO2 production. We therefore tested if CO2 production in anoxic peat incubations is balanced by the consumption of electron acceptors if EAC of OM is included. We set up anoxic incubations with peat and monitored production of CO2 and CH4, and changes in EAC of OM in the dissolved and solid phase over time. Interestingly, in all incubations, the EAC of dissolved OM was poorly related to CO2 and CH4 production. Instead, dissolved OM was rapidly reduced at the onset of the incubations and thereafter remained in reduced form. In contrast, the decrease in the EAC of particulate (i.e. non-dissolved) OM was closely linked to the observed production of non-methanogenic CO2. Thereby, the total EAC of the solid OM pool by far exceeded the EAC of the dissolved OM pool. Over the course of eight week incubations, measured decreases in the EAC

Electronic and magnetic structure of BaCoO2 as obtained from LSDA and LSDA+U calculations

KAUST Repository

Nazir, Safdar

2011-03-01

Density functional theory is used to study the structural, electronic, and magnetic properties of BaCoO2. Structural relaxation for different collinear magnetic configurations points to a remarkable magneto-elastic coupling in BaCoO2. Although we obtain several stable long range ordered magnetic structures, ferromagnetism is energetically favorable in the case of the LSDA method. In contrast, for the LSDA+U method antiferromagnetic ordering is found to be favorable. © 2011 Elsevier B.V. All rights reserved.

Electronic structure and magnetic properties of the ThCo4B compound

International Nuclear Information System (INIS)

Benea, D.; Pop, V.; Isnard, O.

2008-01-01

Detailed theoretical investigations of the electronic and magnetic properties of the newly discovered ThCo 4 B compound have been performed. The influence of the local environment on the magnitude of the Co magnetic moments is discussed by comparing the magnetic and electronic properties in the ThCo 4 B, YCo 4 B and ThCo 5 systems. All theoretical investigations of the electronic and magnetic properties have been done using the Korringa-Kohn-Rostoker (KKR) band-structure method in the ferromagnetic state. Very good agreement of the calculated and the experimental magnetic moments is obtained. Larger exchange-splitting is observed on the 2c site which carries by far the largest magnetic moment. Comparison of the band structure calculation for ThCo 5 and ThCo 4 B reveals that the presence of boron in the Co 6i site environment induces a broadening of the electronic bands as well as a significant reduction of the exchange-splitting and a diminution of the DOS at the Fermi level. These differences are attributed to the hybridization of the boron electronic states to the cobalt 3d ones. The calculated magnetic moment is 1.94μ B /formula unit. A large difference on the magnetic moment magnitude of the two Co sites is observed since 1.30 and 0.27μ B /atom are calculated for the 2c and 6i sites, respectively. The orbital contribution is found to differ by almost an order of magnitude on both cobalt sites. The Co magnetic moment is much smaller in the ThCo 4 B than in the YCo 4 B or RCo 4 B (where R is a rare earth) isotypes evidencing the major role played by the Th-Co bands on the electronic properties

Enhancing Catalyzed Decomposition of Na2CO3 with Co2MnO x Nanowire-Decorated Carbon Fibers for Advanced Na-CO2 Batteries.

Science.gov (United States)

Fang, Cong; Luo, Jianmin; Jin, Chengbin; Yuan, Huadong; Sheng, Ouwei; Huang, Hui; Gan, Yongping; Xia, Yang; Liang, Chu; Zhang, Jun; Zhang, Wenkui; Tao, Xinyong

2018-05-23

The metal-CO 2 batteries, especially Na-CO 2 , batteries come into sight owing to their high energy density, ability for CO 2 capture, and the abundance of sodium resource. Besides the sluggish electrochemical reactions at the gas cathodes and the instability of the electrolyte at a high voltage, the final discharge product Na 2 CO 3 is a solid and poor conductor of electricity, which may cause the high overpotential and poor cycle performance for the Na-CO 2 batteries. The promotion of decomposition of Na 2 CO 3 should be an efficient strategy to enhance the electrochemical performance. Here, we design a facile Na 2 CO 3 activation experiment to screen the efficient cathode catalyst for the Na-CO 2 batteries. It is found that the Co 2 MnO x nanowire-decorated carbon fibers (CMO@CF) can promote the Na 2 CO 3 decomposition at the lowest voltage among all these metal oxide-decorated carbon fiber structures. After assembling the Na-CO 2 batteries, the electrodes based on CMO@CF show lower overpotential and better cycling performance compared with the electrodes based on pristine carbon fibers and other metal oxide-modified carbon fibers. We believe this catalyst screening method and the freestanding structure of the CMO@CF electrode may provide an important reference for the development of advanced Na-CO 2 batteries.

A Hierarchical Z-Scheme α-Fe2 O3 /g-C3 N4 Hybrid for Enhanced Photocatalytic CO2 Reduction.

Science.gov (United States)

Jiang, Zhifeng; Wan, Weiming; Li, Huaming; Yuan, Shouqi; Zhao, Huijun; Wong, Po Keung

2018-03-01

The challenge in the artificial photosynthesis of fossil resources from CO 2 by utilizing solar energy is to achieve stable photocatalysts with effective CO 2 adsorption capacity and high charge-separation efficiency. A hierarchical direct Z-scheme system consisting of urchin-like hematite and carbon nitride provides an enhanced photocatalytic activity of reduction of CO 2 to CO, yielding a CO evolution rate of 27.2 µmol g -1 h -1 without cocatalyst and sacrifice reagent, which is >2.2 times higher than that produced by g-C 3 N 4 alone (10.3 µmol g -1 h -1 ). The enhanced photocatalytic activity of the Z-scheme hybrid material can be ascribed to its unique characteristics to accelerate the reduction process, including: (i) 3D hierarchical structure of urchin-like hematite and preferable basic sites which promotes the CO 2 adsorption, and (ii) the unique Z-scheme feature efficiently promotes the separation of the electron-hole pairs and enhances the reducibility of electrons in the conduction band of the g-C 3 N 4 . The origin of such an obvious advantage of the hierarchical Z-scheme is not only explained based on the experimental data but also investigated by modeling CO 2 adsorption and CO adsorption on the three different atomic-scale surfaces via density functional theory calculation. The study creates new opportunities for hierarchical hematite and other metal-oxide-based Z-scheme system for solar fuel generation. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Reversal of lattice, electronic structure, and magnetism in epitaxial SrCoOx thin films

Science.gov (United States)

Jeen, H.; Choi, W. S.; Lee, J. H.; Cooper, V. R.; Lee, H. N.; Seo, S. S. A.; Rabe, K. M.

2014-03-01

SrCoOx (x = 2.5 - 3.0, SCO) is an ideal material to study the role of oxygen content for electronic structure and magnetism, since SCO has two distinct topotactic phases: the antiferromagnetic insulating brownmillerite SrCoO2.5 and the ferromagnetic metallic perovskite SrCoO3. In this presentation, we report direct observation of a reversible lattice and electronic structure evolution in SrCoOx epitaxial thin films as well as different magnetic and electronic ground states between the topotactic phases.[2] By magnetization measurements, optical absorption, and transport measurements drastically different electronic and magnetic ground states are found in the epitaxially grown SrCoO2.5 and SrCoO3 thin films by pulsed laser epitaxy. First-principles calculations confirm substantial, which originate from the modification in the Co valence states and crystallographic structures. By real-time spectroscopic ellipsometry, the two electronically and magnetically different phases can be reversibly changed by changing the ambient pressure at greatly reduced temperatures. Our finding provides an important pathway to understanding the novel oxygen-content-dependent phase transition uniquely found in multivalent transition metal oxides. The work was supported by the U.S. Department of Energy, Basic Energy Sciences, Materials Sciences and Engineering Division.

Structural, electronic and magnetic properties of partially inverse spinel CoFe2O4: a first-principles study

International Nuclear Information System (INIS)

Hou, Y H; Liu, Z W; Yu, H Y; Zhong, X C; Qiu, W Q; Zeng, D C; Wen, L S; Zhao, Y J

2010-01-01

Partially inverse spinel CoFe 2 O 4 , which may be prepared through various heat treatments, differs remarkably from the ideal inverse spinel in many properties. The structure of partially inverse spinel CoFe 2 O 4 as well as its electronic and magnetic properties through a systemic theoretical calculation of (Co 1-x Fe x ) Tet (Co x Fe 2-x ) Oct O 4 (x = 0, 0.25, 0.5, 0.75 and 1.0) have been investigated by the generalized gradient approximation (GGA) + U approach. It is found that the Co and Fe ions prefer their high spin configurations with higher spin moments at octahedral sites in all the studied cases, in line with experimental observations. The Co ions at the octahedral sites favour being far away from each other in the partial inverse spinels, which also show half metallicity at certain inversion degrees.

Electronic structure, Fermi surface topology and spectroscopic optical properties of LaBaCo{sub 2}O{sub 5.5} compound

Energy Technology Data Exchange (ETDEWEB)

Reshak, A.H. [New Technologies – Research Center, University of West Bohemia, Univerzitni 8, Pilsen 306 14 (Czech Republic); Center of Excellence Geopolymer and Green Technology, School of Material Engineering, University Malaysia Perlis, 01007 Kangar, Perlis (Malaysia); Al-Douri, Y. [Institute of Nano Electronic Engineering, University Malaysia Perlis, 01000 Kangar, Perlis (Malaysia); Khenata, R. [Laboratoire de Physique Quantique et de Modélisation Mathématique (LPQ3M), Département de Technologie, Université de Mascara, Mascara 29000 (Algeria); Khan, Wilayat; Khan, Saleem Ayaz [New Technologies – Research Center, University of West Bohemia, Univerzitni 8, Pilsen 306 14 (Czech Republic); Azam, Sikander, E-mail: sikander.physicst@gmail.com [New Technologies – Research Center, University of West Bohemia, Univerzitni 8, Pilsen 306 14 (Czech Republic)

2014-08-01

We have investigated the electronic band structure, Fermi surface topology, chemical bonding and optical properties of LaBaCo{sub 2}O{sub 5.5} compound. The first-principle calculations based on density functional theory (DFT) by means of the full-potential linearized augmented plane-wave method were employed. The atomic positions of LaBaCo{sub 2}O{sub 5.5} compound were optimized by minimizing the forces acting on atoms. We employed the local density approximation (LDA), generalized gradient approximation (GGA) and Engel–Vosko GGA (EVGGA) to treat the exchange correlation potential by solving Kohn–Sham equations. Electronic structure and bonding properties are studied throughout the calculation of densities of states, Fermi surfaces and charge densities. Furthermore, the optical properties are investigated via the calculation of the dielectric tensor component in order to characterize the linear optical properties. Optical spectra are analyzed by means of the electronic structure, which provides theoretical understanding of the conduction mechanism of the investigated compound. - Highlights: • DFT-FPLAPW method used for calculating the properties of LaBaCo{sub 2}O{sub 5.5} compound. • This study shows that nature of the compound is metallic. • Crystallographic plane which shows covalent character of O–Co bond. • The optical properties were also calculated and analyzed. • The Fermi surface of LaBaCo{sub 2}O{sub 5.5} is composed of five bands crossing along Γ–Z direction.

Effects of salinity and short-term elevated atmospheric CO2 on the chemical equilibrium between CO2 fixation and photosynthetic electron transport of Stevia rebaudiana Bertoni.

Science.gov (United States)

Hussin, Sayed; Geissler, Nicole; El-Far, Mervat M M; Koyro, Hans-Werner

2017-09-01

The effect of water salinity on plant growth and photosynthetic traits of Stevia rebaudiana was investigated to determine its level and mechanisms of salinity tolerance. It was also attempted to assess how short-term elevated CO 2 concentration would influence the boundaries and mechanisms of its photosynthetic capacity. The plants were grown in gravel/hydroponic system under controlled greenhouse conditions and irrigated with four different salinity levels (0, 25, 50 and 100 mol m -3 NaCl). Low salinity did not significantly alter the plant fresh weight, which was substantially decreased by 67% at high salinity treatment. Salinity tolerance threshold was reached at 50 mol m -3  NaCl while C50 was between 50 and 100 mol m -3  NaCl, indicating that S. rebaudiana is a moderate salt tolerant species. Salt-induced growth reduction was apparently linked to a significant decline of about 47% in the photosynthetic rates (A net ) at high salinity treatment, leading consequently to a disequilibrium between CO 2 -assimilation and electron transport rates (indicated by enhanced ETR max /A gross ratio). Elevated atmospheric CO 2 enhanced CO 2 assimilation rates by 65% and 80% for control and high-salt-stressed plants respectively, likely due to significant increases in intercellular CO 2 concentration (indicated by enhanced C i /C a ). The priority for Stevia under elevated atmospheric CO 2 was not to save water but to maximize photosynthesis so that the PWUE was progressively improved and the threat of oxidative stress was diminished (decline in ETR max /A gross ). The results imply that elevated CO 2 level could ameliorate some of the detrimental effects of salinity, conferring higher tolerance and survival of S. rebaudiana, a highlydesired feature with the forthcoming era of global changes. Copyright © 2017 Elsevier Masson SAS. All rights reserved.

Structural, magnetic and electronic structure properties of Co doped ZnO nanoparticles

International Nuclear Information System (INIS)

Kumar, Shalendra; Song, T.K.; Gautam, Sanjeev; Chae, K.H.; Kim, S.S.; Jang, K.W.

2015-01-01

Highlights: • XRD and HR-TEM results show the single phase nature of Co doped ZnO nanoparticles. • XMCD and dc magnetization results indicate the RT-FM in Co doped ZnO nanoparticles. • Co L 3,2 NEXAFS spectra infer that Co ions are in 2+ valence state. • O K edge NEXAFS spectra show that O vacancy increases with Co doping in ZnO. - Abstract: We reported structural, magnetic and electronic structure studies of Co doped ZnO nanoparticles. Doping of Co ions in ZnO host matrix has been studied and confirmed using various methods; such as X-ray diffraction (XRD), field emission scanning electron microscopy (FE-SEM), energy dispersed X-ray (EDX), high resolution transmission electron microscopy (HR-TEM), Fourier transform infrared spectroscopy (FT-IR), near edge X-ray absorption fine structure (NEXAFS) spectroscopy, magnetic hysteresis loop measurements and X-ray magnetic circular dichroism (XMCD). From the XRD and HR-TEM results, it is observed that Co doped ZnO nanoparticles have single phase nature with wurtzite structure and exclude the possibility of secondary phase formation. FE-SEM and TEM micrographs show that pure and Co doped nanoparticles are nearly spherical in shape. O K edge NEXAFS spectra indicate that O vacancies increase with Co doping. The Co L 3,2 edge NEXAFS spectra revealed that Co ions are in 2+ valence state. DC magnetization hysteresis loops and XMCD results clearly showed the intrinsic origin of temperature ferromagnetism in Co doped ZnO nanoparticles

Unusual electronic features and reactivity of the dipyridylazaallyl ligand: characterizations of (smif)2M [M = Fe, Co, Co+, Ni; smif = {(2-py)CH}2N] and [(TMS)2NFe]2(smif)2.

Science.gov (United States)

Frazier, Brenda A; Wolczanski, Peter T; Lobkovsky, Emil B; Cundari, Thomas R

2009-03-18

Application of the dipyridylazaallyl ligand (2-py)CHNCH(2-py) (smif) to a series of first-row transition metals afforded (smif)(2)M(n) [n = 0, M = Fe (1), Co (2), Ni (3); n = +1, M = Co (2+)] and {(TMS)(2)NFe}(2)(smif)(2) (4(2)) via metathetical procedures. The Mossbauer spectrum of 1 (S = 0) and TDDFT calculations, including a UV-vis spectral simulation, reveal it to be a covalent, strong-field system with Delta(o) estimated as approximately 18,000 cm(-1) and B approximately 470 cm(-1). (smif)(2)Co (2) has S = 1/2 according to SQUID data at 10 K. DFT calculations suggest that the odd electron is localized in a smif pi* orbital, i.e., smif is redox-active. EPR-silent (smif)(2)Ni (3) has S = 1 (SQUID), and calculations show that the unpaired spins reside in the d(z(2)) and d(x(2))(-y(2)) orbitals. X-ray structural parameters suggest that low-spin d(6) 1 and 2+ are relatively symmetric D(2d) species, but 2 and 3 manifest a distortion in which one smif is canted in the plane perpendicular to the other. (smif)FeN(TMS)(2) (4) is principally monomeric in solution, but reversibly dimerizes (K(eq) approximately 10(-4) M(-1)) via C-C bond formation in the azaallyl backbone to crystallize as {(TMS)(2)NFe}(2)(smif)(2) (4(2)). The azaallyl compounds possess extraordinary UV-vis absorptivities (epsilon approximately 18,000-52,000) at 580 +/- 15 nm and 406(25) nm that have been identified as intraligand bands with C(nb) --> smif pi* character.

Characterization of CO2 leakage into the freshwater body

DEFF Research Database (Denmark)

Singh, Ashok; Delfs, Jens Olaf; Shao, H.

2013-01-01

urrent research into CO2 capture and storage is dominated by improving the CO2 storage capacity. In this context, risk related to CO2 leakage is an important issue which may cause environmental problems, particularly when freshwater resources nearby are intruded by the CO2 plume. In this work...

Crystal structure and electronic states of Co and Gd ions in a Gd0.4Sr0.6CoO2.85 single crystal

Science.gov (United States)

Platunov, M. S.; Dudnikov, V. A.; Orlov, Yu. S.; Kazak, N. V.; Solovyov, L. A.; Zubavichus, Ya. V.; Veligzhanin, A. A.; Dorovatovskii, P. V.; Vereshchagin, S. N.; Shaykhutdinov, K. A.; Ovchinnikov, S. G.

2016-02-01

X-ray diffraction and X-ray absorption near edge structure (XANES) spectra have been measured at the Co K-edge and Gd L 3-edge in GdCoO3 and Gd0.4Sr0.6CoO2.85 cobaltites. The effect of Sr substitution on the crystal structure and electronic and magnetic states of Co3+ ions in a Gd0.4Sr0.6CoO2.85 single crystal has been analyzed. The XANES measurements at the Co K-edge have not showed a noticeable shift of the absorption edge with an increase in the concentration of Sr. This indicates that the effective valence of cobalt does not change. An increase in the intensity of absorption at the Gd L 3-edge is due to an increase in the degree of hybridization of the Gd(5 d) and O(2 p) states. The effect of hole doping on the magnetic properties results in the appearance of the ferromagnetic component and in a significant increase in the magnetic moment.

Gender Analysis Of Electronic Information Resource Use: The Case ...

African Journals Online (AJOL)

Based on the findings the study concluded that access and use of electronic information resources creates a “social digital divide” along gender lines. The study ... Finally, the library needs to change its marketing strategies on the availability of electronic information resources to increase awareness of these resources.

Investigations on the electronic, structural, magnetic properties related to shape-memory behavior in Ti2CoX (X=Al, Ga, In)

International Nuclear Information System (INIS)

Wei, Xiao-Ping; Chu, Yan-Dong; Sun, Xiao-Wei; E, Yan; Deng, Jian-Bo; Xing, Yong-Zhong

2015-01-01

Highlights: • The analysis of phase stability trend is studied for Ti 2 CoX(X = Al, Ga, In). • Ti 2 CoGa is more suitable as shape memory alloy. • Total magnetic moments disappear with a increase of c/a ratio for all systems. • Density of states at the Fermi level are also shown. - Abstract: Using the full-potential local orbital minimum-basis method, we have performed a systematic investigations on the electronic, structural, and magnetic properties related to shape memory applications for Ti 2 CoX (X=Al, Ga, In) alloys. Our results confirm that these alloys are half-metallic ferromagnets with total magnetic moment of 2μ B per formula unit in austenite phase, and undergo a martensitic transformation at low temperatures. The relative stabilities of the martensitic phases differ considerably between Ti 2 CoX (X=Al, Ga, In). Details of the electronic structures suggest that the differences in hybridizations between the magnetic components are responsible for trends of phase. Quantitative estimates for the energetics and the magnetizations indicate that Ti 2 CoGa is a promising candidate for shape memory applications

Users satisfaction with electronic information resources and services ...

African Journals Online (AJOL)

This study investigated users satisfaction on the use of electronic information resources and services in MTN Net libraries in ABU & UNIBEN. Two objectives and one null hypotheses were formulated and tested with respect to the users' satisfaction on electronic information resources and services in MTN Net libraries in ...

Subtask 2.17 - CO₂ Storage Efficiency in Deep Saline Formations

Energy Technology Data Exchange (ETDEWEB)

Gorecki, Charles D. [Univ. of North Dakota, Grand Forks, ND (United States); Liu, Guoxiang [Univ. of North Dakota, Grand Forks, ND (United States); Braunberger, Jason R. [Univ. of North Dakota, Grand Forks, ND (United States); Klenner, Robert C. L. [Univ. of North Dakota, Grand Forks, ND (United States); Ayash, Scott C. [Univ. of North Dakota, Grand Forks, ND (United States); Dotzenrod, Neil W. [Univ. of North Dakota, Grand Forks, ND (United States); Steadman, Edward N. [Univ. of North Dakota, Grand Forks, ND (United States); Harju, John A. [Univ. of North Dakota, Grand Forks, ND (United States)

2014-02-01

As the field of carbon capture and storage (CCS) continues to advance, and large-scale implementation of geologic carbon dioxide (CO₂) storage progresses, it will be important to understand the potential of geologic formations to store meaningful amounts of CO₂. Geologic CO₂ storage in deep saline formations (DSFs) has been suggested as one of the best potential methods for reducing anthropogenic CO₂ emission to the atmosphere, and as such, updated storage resource estimation methods will continue to be an important component for the widespread deployment of CCS around the world. While there have been several methodologies suggested in the literature, most of these methods are based on a volumetric calculation of the pore volume of the DSF multiplied by a storage efficiency term and do not consider the effect of site-specific dynamic factors such as injection rate, injection pattern, timing of injection, pressure interference between injection locations, and overall formation pressure buildup. These volumetric methods may be excellent for comparing the potential between particular formations or basins, but they have not been validated through real-world experience or full-formation injection simulations. Several studies have also suggested that the dynamic components of geologic storage may play the most important role in storing CO₂ in DSFs but until now have not directly compared CO₂ storage resource estimates made with volumetric methodologies to estimates made using dynamic CO₂ storage methodologies. In this study, two DSFs, in geographically separate areas with geologically diverse properties, were evaluated with both volumetric and dynamic CO₂ storage resource estimation methodologies to compare the results and determine the applicability of both approaches. In the end, it was determined that the dynamic CO₂ storage resource potential is timedependent and it

In situ NMR observation of the lithium extraction/insertion from LiCoO2 cathode

International Nuclear Information System (INIS)

Shimoda, Keiji; Murakami, Miwa; Takamatsu, Daiko; Arai, Hajime; Uchimoto, Yoshiharu; Ogumi, Zempachi

2013-01-01

Abstract: Rechargeable lithium-ion batteries (LIBs) are currently accepted to be one of the most suitable energy storage resources in portable electronic devices because of their high gravimetric and volumetric energy density. To understand the behavior of Li + ions on electrochemical lithium extraction/insertion process, we performed in situ 7 Li nuclear magnetic resonance (NMR) measurements for LiCoO 2 cathode in a plastic cell battery, and the spectral evolutions of the 7 Li NMR signal of Li x CoO 2 (0 ≤ x ≤ 1) were well investigated. Very narrow solid solution region of Li x CoO 2 (∼0.99 ≤ x 2 signal at ∼0 ppm, which is related to the localized nature of the electronic spin of paramagnetic Co 4+ ion formed at the very early delithiation stage. With further decreasing the signal intensity of LiCoO 2 , a Knight-shifted signal corresponding to an electrically conductive Li x CoO 2 phase emerged at x = 0.97, which then monotonously decreased in intensity for x x CoO 2 . These observations acquired in situ fully confirm the earlier studies obtained in ex situ measurements, although the present study offers more quantitative information. Moreover, it was shown that the peak position of the NMR shift for Li x CoO 2 moved as a function of lithium content, which behavior is analogous to the change in its c lattice parameter. Also, the growth and consumption of dendritic/mossy metallic lithium on the counter electrode was clearly observed during the charge/discharge cycles

Effects of xenon insertion into hydrogen bromide. Comparison of the electronic structure of the HBr···CO2 and HXeBr···CO2 complexes using quantum chemical topology methods: electron localization function, atoms in molecules and symmetry adapted perturbation theory.

Science.gov (United States)

Makarewicz, Emilia; Gordon, Agnieszka J; Mierzwicki, Krzysztof; Latajka, Zdzislaw; Berski, Slawomir

2014-06-05

Quantum chemistry methods have been applied to study the influence of the Xe atom inserted into the hydrogen-bromine bond (HBr → HXeBr), particularly on the nature of atomic interactions in the HBr···CO2 and HXeBr···CO2 complexes. Detailed analysis of the nature of chemical bonds has been carried out using topological analysis of the electron localization function, while topological analysis of electron density was used to gain insight into the nature of weak nonbonding interactions. Symmetry-adapted perturbation theory within the orbital approach was applied for greater understanding of the physical contributions to the total interaction energy.

On the anisotropy energies for YCo5, RCo5, Y2Co17, and R2Co17

International Nuclear Information System (INIS)

Takahashi, H.; Hikosaka, K.; Ohtsuka, S.; Seo, A.; Ukai, T.; Mori, N.

1988-01-01

The approximate d bands for YCo 5 , RCo 5 , Y 2 Co 17 , and R 2 Co 17 (Th 2 Zn 17 and Th 2 Ni 17 type) are formulated by Deegan's prescription and the formulas of Slater and Koster. The experimental results of YCo 5 and Y 2 Co 17 are discussed by using these approximate d bands. For RCo 5 and R 2 Co 17 the discussions are made by adopting the localized model and the band model for 4f electrons

Photodissociation dynamics of gaseous CpCo(CO)2 and ligand exchange reactions of CpCoH2 with C3H4, C3H6, and NH3.

Science.gov (United States)

Oana, Melania; Nakatsuka, Yumiko; Albert, Daniel R; Davis, H Floyd

2012-05-31

The photodissociation dynamics of CpCo(CO)(2) was studied in a molecular beam using photofragment translational energy spectroscopy with 157 nm photoionization detection of the metallic products. At 532 and 355 nm excitation, the dominant one-photon channel involved loss of a single CO ligand producing CpCoCO. The product angular distributions were isotropic, and a large fraction of excess energy appeared as product vibrational excitation. Production of CpCO + 2CO resulted from two-photon absorption processes. The two-photon dissociation of mixtures containing CpCo(CO)(2) and H(2) at the orifice of a pulsed nozzle was used to produce a novel 16-electron unsaturated species, CpCoH(2). Transition metal ligand exchange reactions, CpCoH(2) + L → CpCoL + H(2) (L = propyne, propene, or ammonia), were studied under single-collision conditions for the first time. In all cases, ligand exchange occurred via 18-electron association complexes with lifetimes comparable to their rotational periods. Although ligand exchange reactions were not detected from CpCoH(2) collisions with methane or propane (L = CH(4) or C(3)H(8)), a molecular beam containing CpCoCH(4) was produced by photolysis of mixtures containing CpCo(CO)(2) and CH(4).

Topotactic synthesis of Co3O4 nanoboxes from Co(OH)2 nanoflakes

International Nuclear Information System (INIS)

Tian Li; Huang Kelong; Liu Younian; Liu Suqin

2011-01-01

Hollow nanocubes of spinel Co 3 O 4 with the dimension of 20 nm were successfully prepared via a facile and reproducible solvothermal route. The structure and morphology of Co 3 O 4 nanoboxes were characterized by powder X-ray diffraction (XRD), scanning electron microscopy (SEM) and high-resolution transmission electron microscope (HRTEM) techniques. And a possible growth mechanism of Co 3 O 4 nanoboxes were suggested that solid Co 3 O 4 nanocubes nucleate in-situ and grow epitaxially from hexagonal β-Co(OH) 2 precursors with the structural matching relationship of [0 0 1] β-Co(OH) 2 //[1 1 1] Co 3 O 4 , and then solid Co 3 O 4 nanocubes gradually hollow and convert to single-crystal nanoboxes owing to Ostwald ripening. - Graphical abstract: The formation mechanism of Co 3 O 4 nanoboxes can be expressed as epitaxial growth of Co 3 O 4 nanocubes from β-Co(OH) 2 nanoflakes due to a topotactic transformation and hollowing process owing to Ostwald ripening. Highlights: → Co 3 O 4 nanoboxes were prepared by a convenient, economical and controllable hydrothermal route. → Morphology and structure of Co 3 O 4 nanoboxes were characterized by XRD, SEM, and TEM techniques. → Co 3 O 4 nanoboxes grow epitaxially from Co(OH) 2 by topotactic transformation was suggested.

Microwave-induced co-tunneling in single electron tunneling transistors

DEFF Research Database (Denmark)

Ejrnaes, M.; Savolainen, M.; Manscher, M.

2002-01-01

on rubber bellows. Cross-talk was minimized by using individual coaxial lines between the sample and the room temperature electronics: The co-tunneling experiments were performed at zero DC bias current by measuring the voltage response to a very small amplitude 2 Hz current modulation with the gate voltage......The influence of microwaves on the co-tunneling in single electron tunneling transistors has been investigated as function of frequency and power in the temperature range from 150 to 500 mK. All 20 low frequency connections and the RF line were filtered, and the whole cryostat was suspended...

Numerical Study on CO2-Brine-Rock Interaction of Enhanced Geothermal Systems with CO2 as Heat Transmission Fluid

Directory of Open Access Journals (Sweden)

Wan Yuyu

2016-01-01

Full Text Available Enhanced Geothermal Systems (EGS with CO2 instead of water as heat transmission fluid is an attractive concept for both geothermal resources development and CO2 geological sequestration. Previous studies show that CO2 has lots of favorable properties as heat transmission fluid and also can offer geologic storage of CO2 as an ancillary benefit. However, after CO2 injection into geological formations, chemical reaction between brine and rock can change chemical characteristics of saline and properties of rock such as porosity and permeability. Is this advantage or disadvantage for EGS operating? To answer this question, we have performed chemically reactive transport modeling to investigate fluid-rock interactions and CO2 mineral carbonation of Enhanced Geothermal Systems (EGS site at Desert Peak (Nevada operated with CO2. The simulation results show that (1 injection CO2 can create a core zone fulfilled with CO2 as main working domain for EGS, and (2 CO2 storage can induced self-enhancing alteration of EGS.

Organizational matters of competition in electronic educational resources

Directory of Open Access Journals (Sweden)

Ирина Карловна Войтович

2015-12-01

Full Text Available The article examines the experience of the Udmurt State University in conducting competitions of educational publications and electronic resources. The purpose of such competitions is to provide methodological support to educational process. The main focus is on competition of electronic educational resources. The technology of such contests is discussed through detailed analysis of the main stages of the contest. It is noted that the main task of the preparatory stage of the competition is related to the development of regulations on competition and the definition of criteria for selection of the submitted works. The paper also proposes a system of evaluation criteria of electronic educational resources developed by members of the contest organizing committee and jury members. The article emphasizes the importance of not only the preparatory stages of the competition, but also measures for its completion, aimed at training teachers create quality e-learning resources.

A method for examining the geospatial distribution of CO2 storage resources applied to the Pre-Punta Gorda Composite and Dollar Bay reservoirs of the South Florida Basin, U.S.A

Science.gov (United States)

Roberts-Ashby, Tina; Brandon N. Ashby,

2016-01-01

This paper demonstrates geospatial modification of the USGS methodology for assessing geologic CO2 storage resources, and was applied to the Pre-Punta Gorda Composite and Dollar Bay reservoirs of the South Florida Basin. The study provides detailed evaluation of porous intervals within these reservoirs and utilizes GIS to evaluate the potential spatial distribution of reservoir parameters and volume of CO2 that can be stored. This study also shows that incorporating spatial variation of parameters using detailed and robust datasets may improve estimates of storage resources when compared to applying uniform values across the study area derived from small datasets, like many assessment methodologies. Geospatially derived estimates of storage resources presented here (Pre-Punta Gorda Composite = 105,570 MtCO2; Dollar Bay = 24,760 MtCO2) were greater than previous assessments, which was largely attributed to the fact that detailed evaluation of these reservoirs resulted in higher estimates of porosity and net-porous thickness, and areas of high porosity and thick net-porous intervals were incorporated into the model, likely increasing the calculated volume of storage space available for CO2 sequestration. The geospatial method for evaluating CO2 storage resources also provides the ability to identify areas that potentially contain higher volumes of storage resources, as well as areas that might be less favorable.

Kinetics of CO2 and methane hydrate formation : an experimental analysis in the bulk phase

NARCIS (Netherlands)

He, Y.; Rudolph, E.S.J.; Zitha, P.L.J.; Golombok, M.

2011-01-01

Gas resources captured in the form of gas hydrates are by an order of magnitude larger than the resources available from conventional resources. In order to keep the CO2CO2 footprint in the world as small as possible, the idea is to produce methane hydrates and sequestrate CO2CO2 into hydrates in

CO2: a worldwide myth

International Nuclear Information System (INIS)

Gerondeau, Ch.

2009-01-01

In this book, the author demonstrates the paradox that reducing CO 2 emissions leads to no CO 2 abatement at all. This assertion is based on an obvious statement. Everybody knows that oil resources are going to be exhausted in few decades. The oil that industrialized countries will not use will be consumed by emerging countries and the CO 2 emissions will remain the same. Who would believe that the oil, gas or coal still available will remain unused? The Kyoto protocol, the national policies, the European agreements of emissions abatement, the carbon taxes, the emissions abatement requests sent to the rest of the world, all these actions cost a lot and are useless. CO 2 concentration in the atmosphere will inescapably double during the 21. century but, according to the author, without any catastrophic consequence for the Earth. (J.S.)

Thermoelectric Performance of the MXenes M2CO2 (M = Ti, Zr, or Hf)

KAUST Repository

Gandi, Appala

2016-02-21

We present the first report in which the thermoelectric properties of two-dimensional MXenes are calculated by considering both the electron and phonon transport. Specifically, we solve the transport equations of the electrons and phonons for three MXenes, M2CO2, where M = Ti, Zr, or Hf, in order to evaluate the effect of the metal M on the thermoelectric performance. The lattice contribution to the thermal conductivity, obtained from the phonon life times, is found to be lowest in Ti2CO2 and highest in Hf2CO2 in the temperature range from 300 K to 700 K. The highest figure of merit is predicted for Ti2CO2 . The heavy mass of the electrons due to flat conduction bands results in a larger thermopower in the case of n-doping in these compounds.

Atomic and molecular data for H2O, CO and CO2 relevant to edge plasma impurities

International Nuclear Information System (INIS)

Tawara, Hiro.

1992-10-01

The present status of atomic and molecular data under electron impact involving the most relevant plasma impurity species (H 2 O, CO and CO 2 ) has been surveyed and some data have been compiled and evaluated. The emphasis is the cross sections for ionization, dissociation, excitation, photon emission and recombination processes. (author)

Electronic response of rare-earth magnetic-refrigeration compounds GdX2 (X = Fe and Co)

Science.gov (United States)

Bhatt, Samir; Ahuja, Ushma; Kumar, Kishor; Heda, N. L.

2018-05-01

We present the Compton profiles (CPs) of rare-earth-transition metal compounds GdX2 (X = Fe and Co) using 740 GBq 137Cs Compton spectrometer. To compare the experimental momentum densities, we have also computed the CPs, electronic band structure, density of states (DOS) and Mulliken population (MP) using linear combination of atomic orbitals (LCAO) method. Local density and generalized gradient approximations within density functional theory (DFT) along with the hybridization of Hartree-Fock and DFT (B3LYP and PBE0) have been considered under the framework of LCAO scheme. It is seen that the LCAO-B3LYP based momentum densities give a better agreement with the experimental data for both the compounds. The energy bands and DOS for both the spin-up and spin-down states show metallic like character of the reported intermetallic compounds. The localization of 3d electrons of Co and Fe has also been discussed in terms of equally normalized CPs and MP data. Discussion on magnetization using LCAO method is also included.

CHALLENGES OF ELECTRONIC INFORMATION RESOURCES IN ...

African Journals Online (AJOL)

This paper discusses the role of policy for proper and efficient library services in the electronic era. It points out some of the possible dangers of embarking in electronic resources without a proper focus at hand. Thus, it calls for today's librarians and policy makers to brainstorm and come up with working policies suitable to ...

Electronic and magnetic properties of TiO2 (co)-doped with (V, Mn)

Science.gov (United States)

Rami, R.; Rkhioui, N.; Ahl Laamara, R.; Drissi, L. B.

2017-12-01

The effect of dopage and co-dopage with vanadium and manganese on the structural, the electronic and the magnetic properties of TiO2 is studied using ab initio calculations. The calculations are based on the Korringa-Kohn-Rostoker method combined with the coherent potential approach, employing the local density approximation (LDA). The density of states are plotted in the energy diagram for different concentrations of dopants. The magnetic moments and half-metallic character of the doped compounds are investigated and the mechanism of exchange interaction is determined. In addition, the Curie temperature is given for different concentrations.

Emerging terawatt picosecond CO2 laser technology

International Nuclear Information System (INIS)

Pogorelsky, I.V.

1997-09-01

The first terawatt picosecond (TWps) CO 2 laser is under construction at the BNL Accelerator Test Facility (ATF). TWps-CO 2 lasers, having an order of magnitude longer wavelength than the well-known table-top terawatt solid state lasers, offer new opportunities for strong-field physics research. For laser wakefield accelerators (LWFA) the advantage of the new class of lasers is due to a gain of two orders of magnitude in the ponderomotive potential. The large average power of CO 2 lasers is important for the generation of hard radiation through Compton back-scattering of the laser off energetic electron beams. The authors discuss applications of TWps-CO 2 lasers for LWFA modules of a tentative electron-positron collider, for γ-γ (or γ-lepton) colliders, for a possible table-top source of high-intensity x-rays and gamma rays, and the generation of polarized positron beams

Effect of Co crystallinity on Co/CNT catalytic activity in CO/CO{sub 2} hydrogenation and CO disproportionation

Energy Technology Data Exchange (ETDEWEB)

Chernyak, Sergei A., E-mail: chernyak.msu@gmail.com [Lomonosov Moscow State University, Department of Chemistry, Leninskiye Gory 1-3, Moscow 119991 (Russian Federation); Kurnakov Institute of General and Inorganic Chemistry of the Russian Academy of Sciences, Department of Physical Chemistry, Leninsky Avenue 31, Moscow 119991 (Russian Federation); Suslova, Evgeniya V.; Egorov, Alexander V.; Maslakov, Konstantin I. [Lomonosov Moscow State University, Department of Chemistry, Leninskiye Gory 1-3, Moscow 119991 (Russian Federation); Savilov, Serguei V.; Lunin, Valery V. [Lomonosov Moscow State University, Department of Chemistry, Leninskiye Gory 1-3, Moscow 119991 (Russian Federation); Kurnakov Institute of General and Inorganic Chemistry of the Russian Academy of Sciences, Department of Physical Chemistry, Leninsky Avenue 31, Moscow 119991 (Russian Federation)

2016-05-30

Highlights: • Amorphous and crystalline Co supported on CNTs were obtained by tuning of CNT surface. • CO and CO{sub 2} hydrogenation does not occur on amorphous Co particles. • Thermal activation of amorphous Co led to crystallization of metal. • Amorphous Co promotes CO disproportionation. • Carbon shells around the amorphous metal particles after the CO hydrogenation. - Abstract: Carbon nanotubes (CNTs) with different degree of surface oxidation were used as supports for 5 wt.% Co catalysts. CNTs and Co/CNT catalysts were analyzed by XPS, nitrogen adsorption, TEM and electron diffraction to reveal their structure. High oxidation degree of CNT surface (8.6 at.% of O) and low Co loading led to predominantly amorphous Co species. This resulted in the absence of catalytic activity in both CO and CO{sub 2} hydrogenation in opposite to the catalyst supported on less oxidized CNTs (5.4 at.% of O) where Co species were found to be crystalline. Thermal treatment of inactive catalyst in H{sub 2} and He led to the formation of Co crystal phase which was active in catalysis. Co particle size in catalyst supported on strongly oxidized CNTs was unchanged during CO hydrogenation in opposite to Co supported on less oxidized CNTs. Carbon shell formation on the surface of amorphous Co particles during CO hydrogenation was revealed, which testified CO disproportionation. Qualitative mechanism of CO hydrogenation on small Co particles was proposed.

Electron microscopy of CO/sub 2/-laser-induced effects in human fibrocartilage

Energy Technology Data Exchange (ETDEWEB)

Whipple, T.L.; Marotta, J.J.; May, T.C.; Caspari, R.B.; Meyers, J.F.

1987-01-01

Previous reports of effects of CO/sub 2/ laser energy on human fibrocartilage suggest thermal injury extends to a depth of approximately 70 microns from the target surface with power settings of 35 W and exposure times of 0.5 seconds. The present study was undertaken to look for more subtle evidence of thermal alteration of human fibrocartilage treated with CO/sub 2/ laser irradiation. Fifteen human menisci were irradiated at power settings of 10, 20, and 30 W with exposure times of 0.1 and 0.5 seconds. The specimens were immediately fixed and sectioned for electron microscopic examination. Loss of a normal cross banding, and marginal clarity of individual collagen fibers were observed in the extracellular matrix and were observed at distances up to 300 microns from the exposed tissue surface. In addition, cellular changes at similar tissue depth consisted of cell membrane invaginations, clumping of nuclear chromatin, breakdown of endoplasmic reticulum architecture, and loss of mitochondria and Golgi complexes from the cytoplasm were observed. This study demonstrates deeper penetration of a radiation that was previously appreciated by light microscopy in irradiated human fibrocartilage, although the implications with respect to contraside viability and healing potential of the tissue in vivo is not known.

Electronic structure of Co islands grown on the {radical}3 x {radical}3-Ag/Ge(111) surface

Energy Technology Data Exchange (ETDEWEB)

Huang, Xiao-Lan; Chou, Chi-Hao; Lin, Chun-Liang; Tomaszewska, Agnieszka; Fu, Tsu-Yi, E-mail: phtifu@phy.ntnu.edu.tw

2011-09-30

By means of room temperature scanning tunneling spectroscopy (RT STS), we have studied the electronic structure of two different Ag/Ge(111) phases as well as Co islands grown on the {radical}3 x {radical}3-Ag/Ge (111) forming either {radical}13 x {radical}13 or 2 x 2 patterns. The spectrum obtained from 4 x 4-Ag/Ge(111) structure shows the existence of a shoulder at 0.7 V which is also present in the electronic structure of the Ge(111)-c2 x 8 and indicates donation of Ge electrons to electronic states of the Ag-driven phase. However, this fact is not supported by the electronic spectrum taken from the {radical}3 x {radical}3-Ag/Ge (111). The complexity of the Co-{radical}13 x {radical}13 islands bonding with the substrate is mirrored by a large number of peaks in their electronic spectra. The spectra obtained from the Co-2 x 2 islands which had grown on the step differ from those taken from Co-2 x 2 islands located along the edge of the terrace by a number of peaks at negative sample bias. This discrepancy is elucidated in terms of dissimilarities of Co-substrate interaction accompanying Co islands growth on different areas of the stepped surface.

Electronic and magnetic properties of magnetoelectric compound Ca2CoSi2O7: An ab initio study

Science.gov (United States)

Chakraborty, Jayita

2018-05-01

The detailed first principle density functional theory calculations are carried out to investigate the electronic and magnetic properties of magnetoelectric compound Ca2CoSi2O7. The magnetic properties of this system are analyzed by calculating various hopping integrals as well as exchange interactions and deriving the relevant spin Hamiltonian. The dominant exchange path is visualized with Wannier functions plotting. Only intra planer nearest neighbor exchange interaction is strong in this system. The magnetocrystalline anisotropy is calculated for this system, and the results of the calculation reveal that the spin quantization axis lies in the ab plane.

Recent development of capture of CO2

CERN Document Server

Chavez, Rosa Hilda

2014-01-01

"Recent Technologies in the capture of CO2" provides a comprehensive summary on the latest technologies available to minimize the emission of CO2 from large point sources like fossil-fuel power plants or industrial facilities. This ebook also covers various techniques that could be developed to reduce the amount of CO2 released into the atmosphere. The contents of this book include chapters on oxy-fuel combustion in fluidized beds, gas separation membrane used in post-combustion capture, minimizing energy consumption in CO2 capture processes through process integration, characterization and application of structured packing for CO2 capture, calcium looping technology for CO2 capture and many more. Recent Technologies in capture of CO2 is a valuable resource for graduate students, process engineers and administrative staff looking for real-case analysis of pilot plants. This eBook brings together the research results and professional experiences of the most renowned work groups in the CO2 capture field...

Use of Electronic Resources in a Private University in Nigeria ...

African Journals Online (AJOL)

The study examined awareness and constraints in the use of electronic resources by lecturers and students of Ajayi Crowther University, Oyo, Nigeria. It aimed at justifying the resources expended in the provision of electronic resources in terms of awareness, patronage and factors that may be affecting awareness and use ...

Ultrathin Co3O4 Layers Realizing Optimized CO2 Electroreduction to Formate.

Science.gov (United States)

Gao, Shan; Jiao, Xingchen; Sun, Zhongti; Zhang, Wenhua; Sun, Yongfu; Wang, Chengming; Hu, Qitao; Zu, Xiaolong; Yang, Fan; Yang, Shuyang; Liang, Liang; Wu, Ju; Xie, Yi

2016-01-11

Electroreduction of CO2 into hydrocarbons could contribute to alleviating energy crisis and global warming. However, conventional electrocatalysts usually suffer from low energetic efficiency and poor durability. Herein, atomic layers for transition-metal oxides are proposed to address these problems through offering an ultralarge fraction of active sites, high electronic conductivity, and superior structural stability. As a prototype, 1.72 and 3.51 nm thick Co3O4 layers were synthesized through a fast-heating strategy. The atomic thickness endowed Co3O4 with abundant active sites, ensuring a large CO2 adsorption amount. The increased and more dispersed charge density near Fermi level allowed for enhanced electronic conductivity. The 1.72 nm thick Co3O4 layers showed over 1.5 and 20 times higher electrocatalytic activity than 3.51 nm thick Co3O4 layers and bulk counterpart, respectively. Also, 1.72 nm thick Co3O4 layers showed formate Faradaic efficiency of over 60% in 20 h. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

DFT+U study of polaronic conduction in Li2O2 and Li2CO3

DEFF Research Database (Denmark)

García Lastra, Juan Maria; Myrdal, J.S.G.; Christensen, Rune

2013-01-01

The main discharge products formed at the cathode of nonaqueous Li-air batteries are known to be Li2O2 and residual Li2CO3. Recent experiments indicate that the charge transport through these materials is the main limiting factor for the battery performance. It has been also shown...... that the performance of the battery decreases drastically when the amount of Li2CO3 at the cathode increases with respect to Li2O2. In this work, we study the formation and transport of hole and electron polarons in Li2O2 and Li2CO3 using density functional theory (DFT) within the PBE+U approximation. For both...... materials, we find that the formation of polarons (both hole and electron) is stabilized with respect to the delocalized states for all physically relevant values of U. We find a much higher mobility for hole polarons than for the electron polarons, and we show that the poor charge transport in Li2CO3...

Electronic Resources Management System: Recommendation Report 2017

KAUST Repository

Ramli, Rindra M.

2017-05-01

This recommendation report provides an overview of the selection process for the new Electronic Resources Management System. The library has decided to move away from Innovative Interfaces Millennium ERM module. The library reviewed 3 system as potential replacements namely: Proquest 360 Resource Manager, Ex Libris Alma and Open Source CORAL ERMS. After comparing and trialling the systems, it was decided to go for Proquest 360 Resource Manager.

Study of the hyperfine magnetic field at Ta181 site in the Heusler Co2 Sc Sn, Co2 Sc Ga and Co2 Hf Sn alloys

International Nuclear Information System (INIS)

Attili, R.N.

1992-01-01

The hyperfine magnetic fields acting on 181 Ta nuclei at the Sc and Hf sites have been measured in Heusler alloys Co 2 Sc Sn and Co 2 Sc Ga and Co 2 Hf Sn using the Time Differential Perturbed γ-γ Angular Correlation (TDPAC) technique. The measurements were carried out using an automatic spectrometer consisting of two Ba F 2 detectors and the conventional electronics. The magnitude of hyperfine magnetic field at 181 Ta was measured for all the alloys. The signs of the were determined in the cases of Co 2 Sc Sn and Co 2 Hf Sn alloys by performing the Perturbed Angular Correlation measurements with an external polarizing magnetic field of ≅ 5 k Gauss. The hyperfine magnetic fields obtained are -187,6± 3,3 and 90,0 ± 2,1 kOe measured at 77 K for Co 2 Sc Sn and Co 2 Sc Ga alloys respectively, and -342,4 ± 10,1 kOe measured at the room temperature for Co 2 Hf Sn alloy. These results are discussed and compared with the hyperfine magnetic field systematics in Co-based Heusler alloy. (author)

Electronic and magnetic properties of quasi-skutterudite PrCo2Ga8 compound

Science.gov (United States)

Ogunbunmi, Michael O.; Sondezi, Buyisiwe M.; Nair, Harikrishnan S.; Strydom, André M.

2018-05-01

PrCo2Ga8 is an orthorhombic quasi-skutterudite type compound which crystallizes in the CaCo2Al8 structure type, with space group Pbam (No. 55). The Pr3+ ion has a site symmetry of Cs which predicts a crystal electric field (CEF) level splitting into 9 singlets for J = 4. However, a phase transition at Tm = 1.28 K is observed in electrical resistivity and specific heat results and is reported in this paper. The electrical resistivity shows an upturn below Tm due to the superzone-gap formation. This transition is tuneable in fields and is suppressed to lower temperatures with applied magnetic fields. The electronic specific heat Cp(T) / T increases below Tm and reaches a value of 7.37 J/(mol K2) at 0.4 K. The Sommerfeld coefficient, γ extracted from the low temperature analysis of C4f(T) / T is 637 mJ/(mol K2) indicating a possible mass enhancement of the quasiparticles. The calculated entropy value of 3.05 J/(mol K) is recovered around Tm exhibiting almost 53% of Rln2, where R is the universal gas constant. Magnetic susceptibility results obeys the Curie-Weiss law for data above 100 K with an estimated effective magnetic moment, μeff = 3.37 μB/Pr and Weiss temperature, θp = -124 K.

Ab initio molecular dynamics simulations reveal localization and time evolution dynamics of an excess electron in heterogeneous CO{sub 2}–H{sub 2}O systems

Energy Technology Data Exchange (ETDEWEB)

Liu, Ping; Zhao, Jing; Liu, Jinxiang; Zhang, Meng; Bu, Yuxiang, E-mail: byx@sdu.edu.cn [School of Chemistry and Chemical Engineering, Shandong University, Jinan, 250100 (China)

2014-01-28

In view of the important implications of excess electrons (EEs) interacting with CO{sub 2}–H{sub 2}O clusters in many fields, using ab initio molecular dynamics simulation technique, we reveal the structures and dynamics of an EE associated with its localization and subsequent time evolution in heterogeneous CO{sub 2}–H{sub 2}O mixed media. Our results indicate that although hydration can increase the electron-binding ability of a CO{sub 2} molecule, it only plays an assisting role. Instead, it is the bending vibrations that play the major role in localizing the EE. Due to enhanced attraction of CO{sub 2}, an EE can stably reside in the empty, low-lying π{sup *} orbital of a CO{sub 2} molecule via a localization process arising from its initial binding state. The localization is completed within a few tens of femtoseconds. After EE trapping, the ∠OCO angle of the core CO{sub 2}{sup −} oscillates in the range of 127°∼142°, with an oscillation period of about 48 fs. The corresponding vertical detachment energy of the EE is about 4.0 eV, which indicates extreme stability of such a CO{sub 2}-bound solvated EE in [CO{sub 2}(H{sub 2}O){sub n}]{sup −} systems. Interestingly, hydration occurs not only on the O atoms of the core CO{sub 2}{sup −} through formation of O⋯H–O H–bond(s), but also on the C atom, through formation of a C⋯H–O H–bond. In the latter binding mode, the EE cloud exhibits considerable penetration to the solvent water molecules, and its IR characteristic peak is relatively red-shifted compared with the former. Hydration on the C site can increase the EE distribution at the C atom and thus reduce the C⋯H distance in the C⋯H–O H–bonds, and vice versa. The number of water molecules associated with the CO{sub 2}{sup −} anion in the first hydration shell is about 4∼7. No dimer-core (C{sub 2}O{sub 4}{sup −}) and core-switching were observed in the double CO{sub 2} aqueous media. This work provides molecular dynamics

Ab initio investigations of the electronic structures and chemical bonding in LiCo{sub 6}P{sub 4} and Li{sub 2}Co{sub 12}P{sub 7}

Energy Technology Data Exchange (ETDEWEB)

Matar, Samir F. [CNRS, ICMCB, UPR 9048, F‐33600 Pessac (France); Université de Bordeaux, ICMCB, UPR 9048, F‐33600 Pessac (France); Al-Alam, Adel; Ouaini, Naïm [Université Saint-Esprit de Kaslik (USEK), Groupe OCM (Optimization et Caractérisation des Matériaux), CSR-USEK, CNRS-L, Jounieh (Lebanon); Pöttgen, Rainer, E-mail: pottgen@uni-muenster.de [Institut für Anorganische und Analytische Chemie, Universität Münster, Corrensstraße 30, D-48149 Münster (Germany)

2013-06-15

The electronic structures of the metal-rich phosphides LiCo{sub 6}P{sub 4} and Li{sub 2}Co{sub 12}P{sub 7} were studied by DFT calculations. Both phosphides consist of three-dimensional [Co{sub 6}P{sub 4}] and [Co{sub 12}P{sub 7}] polyanionic networks which leave hexagonal channels for the lithium atoms. COOP data show strong Co–P and Co–Co bonding within the polyanions. The lithium atoms have trigonal prismatic phosphorus coordination. Total energy calculations indicate stability upon de-lithiation towards the Co{sub 6}P{sub 4} and Co{sub 12}P{sub 7} substructures - Graphical abstract: The cobalt–phosphorus networks in LiCo{sub 6}P{sub 4} and Li{sub 2}Co{sub 12}P{sub 7}. - Highlights: • Chemical bonding resolved in the metal-rich phosphides LiCo{sub 6}P{sub 4} and Li{sub 2}Co{sub 12}P{sub 7}. • Strong covalent Co–P bonding character in the [Co{sub 6}P{sub 4}] and [Co{sub 12}P{sub 7}] substructures. • Total energy calculations indicate stability of the de-lithiated substructures.

Co-innovation by KIBS in environmental services : a resource-based view

NARCIS (Netherlands)

Castaldi, C.; Faber, Jan; Kishna, M.

2010-01-01

This paper investigates the ability of knowledge intensive business firms (KIBS) to engage in co-innovation with client firms. Co-innovation relates to KIBS competitive advantage as knowledge creators and sources of innovation. We propose a resource-based model where knowledge-related resources and

trans-(Cl)-[Ru(5,5'-diamide-2,2'-bipyridine)(CO)2 Cl2 ]: Synthesis, Structure, and Photocatalytic CO2 Reduction Activity.

Science.gov (United States)

Kuramochi, Yusuke; Fukaya, Kyohei; Yoshida, Makoto; Ishida, Hitoshi

2015-07-06

A series of trans-(Cl)-[Ru(L)(CO)2 Cl2 ]-type complexes, in which the ligands L are 2,2'-bipyridyl derivatives with amide groups at the 5,5'-positions, are synthesized. The C-connected amide group bound to the bipyridyl ligand through the carbonyl carbon atom is twisted with respect to the bipyridyl plane, whereas the N-connected amide group is in the plane. DFT calculations reveal that the twisted structure of the C-connected amide group raises the level of the LUMO, which results in a negative shift of the first reduction potential (Ep ) of the ruthenium complex. The catalytic abilities for CO2 reduction are evaluated in photoreactions (λ>400 nm) with the ruthenium complexes (the catalyst), [Ru(bpy)3 ](2+) (bpy=2,2'-bipyridine; the photosensitizer), and 1-benzyl-1,4-dihydronicotinamide (the electron donor) in CO2 -saturated N,N-dimethylacetamide/water. The logarithm of the turnover frequency increases by shifting Ep a negative value until it reaches the reduction potential of the photosensitizer. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Modification of Ga2O3 by an Ag-Cr core-shell cocatalyst enhances photocatalytic CO evolution for the conversion of CO2 by H2O.

Science.gov (United States)

Pang, Rui; Teramura, Kentaro; Tatsumi, Hiroyuki; Asakura, Hiroyuki; Hosokawa, Saburo; Tanaka, Tsunehiro

2018-01-25

A core-shell structure of Ag-Cr dual cocatalyst loaded-Ga 2 O 3 was found to significantly enhance the formation rate of CO and selectivity toward CO evolution for the photocatalytic conversion of CO 2 where H 2 O is used as an electron donor.

A survey of the use of electronic scientific information resources among medical and dental students

Directory of Open Access Journals (Sweden)

Aarnio Matti

2006-05-01

Full Text Available Abstract Background To evaluate medical and dental students' utilization of electronic information resources. Methods A web survey sent to 837 students (49.9% responded. Results Twenty-four per cent of medical students and ninteen per cent of dental students searched MEDLINE 2+ times/month for study purposes, and thiry-two per cent and twenty-four per cent respectively for research. Full-text articles were used 2+ times/month by thirty-three per cent of medical and ten per cent of dental students. Twelve per cent of respondents never utilized either MEDLINE or full-text articles. In multivariate models, the information-searching skills among students were significantly associated with use of MEDLINE and full-text articles. Conclusion Use of electronic resources differs among students. Forty percent were non-users of full-text articles. Information-searching skills are correlated with the use of electronic resources, but the level of basic PC skills plays not a major role in using these resources. The student data shows that adequate training in information-searching skills will increase the use of electronic information resources.

use of electronic resources by graduate students of the department

African Journals Online (AJOL)

respondent's access electronic resources from the internet via Cybercafé .There is a high ... KEY WORDS: Use, Electronic Resources, Graduate Students, Cybercafé. INTRODUCTION ... Faculty of Education, University of Uyo, Uyo. Olu Olat ...

Effect of d electrons on defect properties in equiatomic NiCoCr and NiCoFeCr concentrated solid solution alloys

Science.gov (United States)

Zhao, Shijun; Egami, Takeshi; Stocks, G. Malcolm; Zhang, Yanwen

2018-01-01

The role of d electrons in determining distributions of formation and migration energies for point defects in equiatomic NiCoCr and NiCoFeCr concentrated solid solution alloys (CSAs) are studied regarding electron density deformation flexibility based on first-principles calculations. The disordered state is taken into account by constructing special quasirandom structures. The migration barriers are determined by directly optimizing the saddle point. It is found that the formation energies of interstitials in CSAs are lower than those in pure Ni, whereas the formation energies of vacancies are higher. In both NiCoCr and NiCoFeCr, Co-related dumbbell interstitials exhibit lower formation energies. Notably, the distributions of migration energies for Cr interstitials and vacancies exhibit a remarkable overlap region. A detailed analysis of electronic properties reveals that the electronic charge deformation flexibility regarding eg to t2g transition has a dominant effect on defect energetics for different elements in CSAs. Thus the electron deformation ability is suggested as a key factor in understanding the peculiar defect behavior in CSAs.

Evaluation of supercritical CO2 dried cellulose aerogels as nano-biomaterials

Science.gov (United States)

Lee, Sinah; Kang, Kyu-Young; Jeong, Myung-Joon; Potthast, Antje; Liebner, Falk

2017-10-01

Cellulose is the renewable, biodegradable and abundant resource and is suggested as an alternative material to silica due to the high price and environmental load of silica. The first step for cellulose aerogel production is to dissolve cellulose, and hydrated calcium thiocyanate molten salt is one of the most effective solvents for preparing porous material. Cellulose aerogels were prepared from dissolved cellulose samples of different degree of polymerization (DP) and drying methods, and tested with shrinkage, density and mechanical strength. Supercritical CO2 dried cellulose aerogels shrank less compared to freeze-dried cellulose aerogels, whereas the densities were increased according to the DP increases in both cellulose aerogels. Furthermore, scanning electron microscope (SEM) images showed that the higher DP cellulose aerogels were more uniform with micro-porous structure. Regarding the mechanical strength of cellulose aerogels, supercritical CO2 dried cellulose aerogels with higher molecular weight were much more solid.

CoCoMac 2.0 and the future of tract-tracing databases

Science.gov (United States)

Bakker, Rembrandt; Wachtler, Thomas; Diesmann, Markus

2012-01-01

The CoCoMac database contains the results of several hundred published axonal tract-tracing studies in the macaque monkey brain. The combined results are used for constructing the macaque macro-connectome. Here we discuss the redevelopment of CoCoMac and compare it to six connectome-related projects: two online resources that provide full access to raw tracing data in rodents, a connectome viewer for advanced 3D graphics, a partial but highly detailed rat connectome, a brain data management system that generates custom connectivity matrices, and a software package that covers the complete pipeline from connectivity data to large-scale brain simulations. The second edition of CoCoMac features many enhancements over the original. For example, a search wizard is provided for full access to all tables and their nested dependencies. Connectivity matrices can be computed on demand in a user-selected nomenclature. A new data entry system is available as a preview, and is to become a generic solution for community-driven data entry in manually collated databases. We conclude with the question whether neuronal tracing will remain the gold standard to uncover the wiring of brains, thereby highlighting developments in human connectome construction, tracer substances, polarized light imaging, and serial block-face scanning electron microscopy. PMID:23293600

CoCoMac 2.0 and the future of tract-tracing databases.

Science.gov (United States)

Bakker, Rembrandt; Wachtler, Thomas; Diesmann, Markus

2012-01-01

The CoCoMac database contains the results of several hundred published axonal tract-tracing studies in the macaque monkey brain. The combined results are used for constructing the macaque macro-connectome. Here we discuss the redevelopment of CoCoMac and compare it to six connectome-related projects: two online resources that provide full access to raw tracing data in rodents, a connectome viewer for advanced 3D graphics, a partial but highly detailed rat connectome, a brain data management system that generates custom connectivity matrices, and a software package that covers the complete pipeline from connectivity data to large-scale brain simulations. The second edition of CoCoMac features many enhancements over the original. For example, a search wizard is provided for full access to all tables and their nested dependencies. Connectivity matrices can be computed on demand in a user-selected nomenclature. A new data entry system is available as a preview, and is to become a generic solution for community-driven data entry in manually collated databases. We conclude with the question whether neuronal tracing will remain the gold standard to uncover the wiring of brains, thereby highlighting developments in human connectome construction, tracer substances, polarized light imaging, and serial block-face scanning electron microscopy.

Impact of elevated CO_2 concentrations on carbonate mineral precipitation ability of sulfate-reducing bacteria and implications for CO_2 sequestration

International Nuclear Information System (INIS)

Paul, Varun G.; Wronkiewicz, David J.; Mormile, Melanie R.

2017-01-01

Interest in anthropogenic CO_2 release and associated global climatic change has prompted numerous laboratory-scale and commercial efforts focused on capturing, sequestering or utilizing CO_2 in the subsurface. Known carbonate mineral precipitating microorganisms, such as the anaerobic sulfate-reducing bacteria (SRB), could enhance the rate of conversion of CO_2 into solid minerals and thereby improve long-term storage of captured gasses. The ability of SRB to induce carbonate mineral precipitation, when exposed to atmospheric and elevated pCO_2, was investigated in laboratory scale tests with bacteria from organic-rich sediments collected from hypersaline Lake Estancia, New Mexico. The enriched SRB culture was inoculated in continuous gas flow and batch reactors under variable headspace pCO_2 (0.0059 psi to 20 psi). Solution pH, redox conditions, sulfide, calcium and magnesium concentrations were monitored in the reactors. Those reactors containing SRB that were exposed to pCO_2 of 14.7 psi or less showed Mg-calcite precipitation. Reactors exposed to 20 psi pCO_2 did not exhibit any carbonate mineralization, likely due to the inhibition of bacterial metabolism caused by the high levels of CO_2. Hydrogen, lactate and formate served as suitable electron donors for the SRB metabolism and related carbonate mineralization. Carbon isotopic studies confirmed that ∼53% of carbon in the precipitated carbonate minerals was derived from the CO_2 headspace, with the remaining carbon being derived from the organic electron donors, and the bicarbonate ions available in the liquid medium. The ability of halotolerant SRB to induce the precipitation of carbonate minerals can potentially be applied to the long-term storage of anthropogenic CO_2 in saline aquifers and other ideal subsurface rock units by converting the gas into solid immobile phases. - Highlights: • SRB under study are capable of precipitating calcite up to 14.7 psi pCO_2. • At 20 psi pCO_2, bacterial activity

CO2 reforming of methane: valorizing CO2 by means of Dielectric Barrier Discharge

Science.gov (United States)

Machrafi, H.; Cavadias, S.; Amouroux, J.

2011-03-01

The impact of pollution on the environment is causing several problems that are to be reduced as much as possible. One important example is the production of CO2 that is emitted by many transport and industrial applications. An interesting solution is to view CO2 as a source instead of a product that can be stocked. The case considered in this work is the CO2 reformation of methane producing hydrogen and CO. It is an endothermic reaction, for which the activition barrier needs to be overcome. The method of Dielectric Barrier Discharge can do this efficiently. The process relies on the collision of electrons, which are accelerated under an electrical field that is created in the discharge area. This leads to the formation of reactive species, which facilitate the abovementioned reaction. The determination of the electron density is performed by PLASIMO. The study is subsequently continued using the Reaction Engineering module in COMSOL (with an incorporated kinetic mechanism) in order to model the discharge phase. Then COMSOL (continuity and Navier-Stokes equations) is used to model the flow in the post-discharge phase. The results showed that both a 2D and 3D model can be used to model the chemical-plasma process. These methods need strongly reduced kinetic mechanism, which in some cases can cause loss of precision. It is also observed that the present experimental set-up that is modeled needs to be improved. A suggestion is made.

Electronic resource management practical perspectives in a new technical services model

CERN Document Server

Elguindi, Anne

2012-01-01

A significant shift is taking place in libraries, with the purchase of e-resources accounting for the bulk of materials spending. Electronic Resource Management makes the case that technical services workflows need to make a corresponding shift toward e-centric models and highlights the increasing variety of e-formats that are forcing new developments in the field.Six chapters cover key topics, including: technical services models, both past and emerging; staffing and workflow in electronic resource management; implementation and transformation of electronic resource management systems; the ro

Direct observation of spin-quadrupolar excitations in Sr2CoGe2O7 by high-field electron spin resonance

Science.gov (United States)

Akaki, Mitsuru; Yoshizawa, Daichi; Okutani, Akira; Kida, Takanori; Romhányi, Judit; Penc, Karlo; Hagiwara, Masayuki

2017-12-01

Exotic spin-multipolar ordering in spin transition metal insulators has so far eluded unambiguous experimental observation. A less studied, but perhaps more feasible fingerprint of multipole character emerges in the excitation spectrum in the form of quadrupolar transitions. Such multipolar excitations are desirable as they can be manipulated with the use of light or electric field and can be captured by means of conventional experimental techniques. Here we study single crystals of multiferroic Sr2CoGe2O7 and observe a two-magnon spin excitation appearing above the saturation magnetic field in electron spin resonance (ESR) spectra. Our analysis of the selection rules reveals that this spin excitation mode does not couple to the magnetic component of the light, but it is excited by the electric field only, in full agreement with the theoretical calculations. Due to the nearly isotropic nature of Sr2CoGe2O7 , we identify this excitation as a purely spin-quadrupolar two-magnon mode.

The Co59 nuclear magnetic resonances in (Ysub(1-x)Gdsub(x))2Co17

International Nuclear Information System (INIS)

Nagai, Hiroyuki; Yoshie, Hiroshi; Unate, Takao; Tsujimura, Akira; Deportes, J.

1976-01-01

The nuclear magnetic resonances of Co 59 in (Ysub(1-x)Gdsub(x)) 2 Co 17 have been observed at 77 K as a function of x (0 2 Co 17 and Gd 2 Co 17 is at most 7 kOe in magnitude, which is comparable to that obtained in GdCo 5 . The sign of the obtained difference depends on the Co sites. The difference is qualitatively explained as the contribution of 4f electrons of Gd atoms to the hyperfine field. The temperature dependence of the resonance frequencies in Gd 2 Co 17 has also been measured. (auth.)

Utilization of electronic information resources by academic staff at ...

African Journals Online (AJOL)

The study investigated the utilization of Electronic Information resources by the academic staff of Makerere University in Uganda. It examined the academic staff awareness of the resources available, the types of resources provided by the Makerere University Library, the factors affecting resource utilization. The study was ...

Assessment of CO2 Mineralization and Dynamic Rock Properties at the Kemper Pilot CO2 Injection Site

Science.gov (United States)

Qin, F.; Kirkland, B. L.; Beckingham, L. E.

2017-12-01

CO2-brine-mineral reactions following CO2 injection may impact rock properties including porosity, permeability, and pore connectivity. The rate and extent of alteration largely depends on the nature and evolution of reactive mineral interfaces. In this work, the potential for geochemical reactions and the nature of the reactive mineral interface and corresponding hydrologic properties are evaluated for samples from the Lower Tuscaloosa, Washita-Fredericksburg, and Paluxy formations. These formations have been identified as future regionally extensive and attractive CO2 storage reservoirs at the CO2 Storage Complex in Kemper County, Mississippi, USA (Project ECO2S). Samples from these formations were obtained from the Geological Survey of Alabama and evaluated using a suite of complementary analyses. The mineral composition of these samples will be determined using petrography and powder X-ray Diffraction (XRD). Using these compositions, continuum-scale reactive transport simulations will be developed and the potential CO2-brine-mineral interactions will be examined. Simulations will focus on identifying potential reactive minerals as well as the corresponding rate and extent of reactions. The spatial distribution and accessibility of minerals to reactive fluids is critical to understanding mineral reaction rates and corresponding changes in the pore structure, including pore connectivity, porosity and permeability. The nature of the pore-mineral interface, and distribution of reactive minerals, will be determined through imaging analysis. Multiple 2D scanning electron microscopy (SEM) backscattered electron (BSE) images and energy dispersive x-ray spectroscopy (EDS) images will be used to create spatial maps of mineral distributions. These maps will be processed to evaluate the accessibility of reactive minerals and the potential for flow-path modifications following CO2 injection. The "Establishing an Early CO2 Storage Complex in Kemper, MS" project is funded by

Managing CO2 emissions in Nigeria

International Nuclear Information System (INIS)

Obioh, I.B.; Oluwole, A.F.; Akeredolu, F.A.

1994-01-01

The energy resources in Nigeria are nearly equally divided between fossil fuels and biofuels. The increasing pressure on them, following expected increased population growth, may lead to substantial emissions of carbon into the atmosphere. Additionally agricultural and forestry management practices in vogue are those related to savannah burning and rotational bush fallow systems, which have been clearly implicated as important sources of CO 2 and trace gases. An integrated model for the prediction of future CO 2 emissions based on fossil fuels and biomass fuels requirements, rates of deforestation and other land-use indices is presented. This is further based on trends in population and economic growth up to the year 2025, with a base year in 1988. A coupled carbon cycle-climate model based on the contribution of CO 2 and other trace gases is established from the proportions of integrated global warming effects for a 20-year averaging time using the product of global warming potential (GWP) and total emissions. An energy-technology inventory approach to optimal resources management is used as a tool for establishing the future scope of reducing the CO 2 emissions through improved fossil fuel energy efficiencies. Scenarios for reduction based on gradual to swift shifts from biomass to fossil and renewable fuels are presented together with expected policy options required to effect them

Interacting Effects of Light and Iron Availability on the Coupling of Photosynthetic Electron Transport and CO2-Assimilation in Marine Phytoplankton.

Science.gov (United States)

Schuback, Nina; Schallenberg, Christina; Duckham, Carolyn; Maldonado, Maria T; Tortell, Philippe D

2015-01-01

Iron availability directly affects photosynthesis and limits phytoplankton growth over vast oceanic regions. For this reason, the availability of iron is a crucial variable to consider in the development of active chlorophyll a fluorescence based estimates of phytoplankton primary productivity. These bio-optical approaches require a conversion factor to derive ecologically-relevant rates of CO2-assimilation from estimates of electron transport in photosystem II. The required conversion factor varies significantly across phytoplankton taxa and environmental conditions, but little information is available on its response to iron limitation. In this study, we examine the role of iron limitation, and the interacting effects of iron and light availability, on the coupling of photosynthetic electron transport and CO2-assimilation in marine phytoplankton. Our results show that excess irradiance causes increased decoupling of carbon fixation and electron transport, particularly under iron limiting conditions. We observed that reaction center II specific rates of electron transport (ETR(RCII), mol e- mol RCII(-1) s(-1)) increased under iron limitation, and we propose a simple conceptual model for this observation. We also observed a strong correlation between the derived conversion factor and the expression of non-photochemical quenching. Utilizing a dataset from in situ phytoplankton assemblages across a coastal--oceanic transect in the Northeast subarctic Pacific, this relationship was used to predict ETR(RCII): CO2-assimilation conversion factors and carbon-based primary productivity from FRRF data, without the need for any additional measurements.

Interacting Effects of Light and Iron Availability on the Coupling of Photosynthetic Electron Transport and CO2-Assimilation in Marine Phytoplankton.

Directory of Open Access Journals (Sweden)

Nina Schuback

Full Text Available Iron availability directly affects photosynthesis and limits phytoplankton growth over vast oceanic regions. For this reason, the availability of iron is a crucial variable to consider in the development of active chlorophyll a fluorescence based estimates of phytoplankton primary productivity. These bio-optical approaches require a conversion factor to derive ecologically-relevant rates of CO2-assimilation from estimates of electron transport in photosystem II. The required conversion factor varies significantly across phytoplankton taxa and environmental conditions, but little information is available on its response to iron limitation. In this study, we examine the role of iron limitation, and the interacting effects of iron and light availability, on the coupling of photosynthetic electron transport and CO2-assimilation in marine phytoplankton. Our results show that excess irradiance causes increased decoupling of carbon fixation and electron transport, particularly under iron limiting conditions. We observed that reaction center II specific rates of electron transport (ETR(RCII, mol e- mol RCII(-1 s(-1 increased under iron limitation, and we propose a simple conceptual model for this observation. We also observed a strong correlation between the derived conversion factor and the expression of non-photochemical quenching. Utilizing a dataset from in situ phytoplankton assemblages across a coastal--oceanic transect in the Northeast subarctic Pacific, this relationship was used to predict ETR(RCII: CO2-assimilation conversion factors and carbon-based primary productivity from FRRF data, without the need for any additional measurements.

Interacting Effects of Light and Iron Availability on the Coupling of Photosynthetic Electron Transport and CO2-Assimilation in Marine Phytoplankton

Science.gov (United States)

Schuback, Nina; Schallenberg, Christina; Duckham, Carolyn; Maldonado, Maria T.; Tortell, Philippe D.

2015-01-01

Iron availability directly affects photosynthesis and limits phytoplankton growth over vast oceanic regions. For this reason, the availability of iron is a crucial variable to consider in the development of active chlorophyll a fluorescence based estimates of phytoplankton primary productivity. These bio-optical approaches require a conversion factor to derive ecologically-relevant rates of CO2-assimilation from estimates of electron transport in photosystem II. The required conversion factor varies significantly across phytoplankton taxa and environmental conditions, but little information is available on its response to iron limitation. In this study, we examine the role of iron limitation, and the interacting effects of iron and light availability, on the coupling of photosynthetic electron transport and CO2-assimilation in marine phytoplankton. Our results show that excess irradiance causes increased decoupling of carbon fixation and electron transport, particularly under iron limiting conditions. We observed that reaction center II specific rates of electron transport (ETRRCII, mol e- mol RCII-1 s-1) increased under iron limitation, and we propose a simple conceptual model for this observation. We also observed a strong correlation between the derived conversion factor and the expression of non-photochemical quenching. Utilizing a dataset from in situ phytoplankton assemblages across a coastal – oceanic transect in the Northeast subarctic Pacific, this relationship was used to predict ETRRCII: CO2-assimilation conversion factors and carbon-based primary productivity from FRRF data, without the need for any additional measurements. PMID:26171963

Heterogeneous Single-Atom Catalyst for Visible-Light-Driven High-Turnover CO2 Reduction: The Role of Electron Transfer.

Science.gov (United States)

Gao, Chao; Chen, Shuangming; Wang, Ying; Wang, Jiawen; Zheng, Xusheng; Zhu, Junfa; Song, Li; Zhang, Wenkai; Xiong, Yujie

2018-03-01

Visible-light-driven conversion of CO 2 into chemical fuels is an intriguing approach to address the energy and environmental challenges. In principle, light harvesting and catalytic reactions can be both optimized by combining the merits of homogeneous and heterogeneous photocatalysts; however, the efficiency of charge transfer between light absorbers and catalytic sites is often too low to limit the overall photocatalytic performance. In this communication, it is reported that the single-atom Co sites coordinated on the partially oxidized graphene nanosheets can serve as a highly active and durable heterogeneous catalyst for CO 2 conversion, wherein the graphene bridges homogeneous light absorbers with single-atom catalytic sites for the efficient transfer of photoexcited electrons. As a result, the turnover number for CO production reaches a high value of 678 with an unprecedented turnover frequency of 3.77 min -1 , superior to those obtained with the state-of-the-art heterogeneous photocatalysts. This work provides fresh insights into the design of catalytic sites toward photocatalytic CO 2 conversion from the angle of single-atom catalysis and highlights the role of charge kinetics in bridging the gap between heterogeneous and homogeneous photocatalysts. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Electronic Resources Management Project Presentation 2012

KAUST Repository

Ramli, Rindra M.

2012-01-01

This presentation describes the electronic resources management project undertaken by the KAUST library. The objectives of this project is to migrate information from MS Sharepoint to Millennium ERM module. One of the advantages of this migration

Improved solar-driven photocatalytic performance of Ag{sub 2}CO{sub 3}/(BiO){sub 2}CO{sub 3} prepared in-situ

Energy Technology Data Exchange (ETDEWEB)

Zhong, Junbo, E-mail: junbozhong@163.com [Key Laboratory of Green Catalysis of Higher Education Institutes of Sichuan, College of Chemistry and Pharmaceutical Engineering, Sichuan University of Science and Engineering, Zigong 643000 (China); Li, Jianzhang, E-mail: lschmanuscript@163.com [Key Laboratory of Green Catalysis of Higher Education Institutes of Sichuan, College of Chemistry and Pharmaceutical Engineering, Sichuan University of Science and Engineering, Zigong 643000 (China); Huang, Shengtian; Cheng, Chaozhu; Yuan, Wei [Key Laboratory of Green Catalysis of Higher Education Institutes of Sichuan, College of Chemistry and Pharmaceutical Engineering, Sichuan University of Science and Engineering, Zigong 643000 (China); Li, Minjiao [Key Laboratory of Green Catalysis of Higher Education Institutes of Sichuan, College of Chemistry and Pharmaceutical Engineering, Sichuan University of Science and Engineering, Zigong 643000 (China); Sichuan Provincial Academician (Expert) Workstation, Sichuan University of Science and Engineering, Zigong 643000 (China); Ding, Jie [Key Laboratory of Green Catalysis of Higher Education Institutes of Sichuan, College of Chemistry and Pharmaceutical Engineering, Sichuan University of Science and Engineering, Zigong 643000 (China)

2016-05-15

Highlights: • Ag{sub 2}CO{sub 3}/(BiO){sub 2}CO{sub 3} photocatalysts were prepared in-situ. • The photo-induced charge separation rate has been greatly increased. • The photocatalytic activity has been greatly promoted. - Abstract: Ag{sub 2}CO{sub 3}/(BiO){sub 2}CO{sub 3} composites have been fabricated in-situ via a facile parallel flaw co-precipitation method. The specific surface area, structure, morphology, and the separation rate of photo-induced charge pairs of the photocatalysts were characterized by Brunauer–Emmett–Teller (BET) method, X-ray diffraction (XRD), UV–vis diffuse reflectance spectroscopy(DRS), scanning electron microscopy (SEM), high-resolution transmission electron microscopy (HRTEM), and surface photovoltage (SPV) spectroscopy, respectively. XRD patterns and DRS demonstrated that Ag{sub 2}CO{sub 3} has no effect on the crystal phase and bandgap of (BiO){sub 2}CO{sub 3}. The existence of Ag{sub 2}CO{sub 3} in the composites enhances the separation rate of photo-induced charge pairs of the photocatalysts. The photocatalytic performance of Ag{sub 2}CO{sub 3}/(BiO){sub 2}CO{sub 3} was evaluated by the decolorization of methyl orange (MO) aqueous solution under simulated solar irradiation. It was found that the simulated solar-induced photocatalytic activity of Ag{sub 2}CO{sub 3}/(BiO){sub 2}CO{sub 3} copmposites was significantly improved, which was mainly attributed to the enhanced surface area and the separation rate of photo-induced charge pairs.

Emerging terawatt picosecond CO{sub 2} laser technology

Energy Technology Data Exchange (ETDEWEB)

Pogorelsky, I V [Accelerator Test Facility, Brookhaven National Lab., Upton, NY (United States)

1998-03-01

The first terawatt picosecond (TWps) CO{sub 2} laser is under construction at the BNL Accelerator Test Facility (ATF). TWps-CO{sub 2} lasers, having an order of magnitude longer wavelength than the well-known table-top terawatt solid state lasers, offer new opportunities for strong-field physics research. For laser wakefield accelerators (LWFA) the advantage of the new class of lasers is due to a gain of two orders of magnitude in the ponderomotive potential. The large average power of CO{sub 2} lasers is important for the generation of hard radiation through Compton back-scattering of the laser off energetic electron beams. We discuss applications of TWps-CO{sub 2} lasers for LWFA modules of a tentative electron-positron collider, for {gamma}-{gamma} (or {gamma}-lepton) colliders, for a possible `table-top` source of high-intensity x-rays and gamma rays, and the generation of polarized positron beams. (author)

Northern California CO₂ Reduction Project

Energy Technology Data Exchange (ETDEWEB)

Hymes, Edward [C6 Resources LLC, Houston, TX (United States)

2010-06-16

C6 Resources LLC, a wholly owned subsidiary of Shell Oil Company, worked with the US Department of Energy (DOE) under a Cooperative Agreement to develop the Northern California CO₂ Reduction Project. The objective of the Project is to demonstrate the viability of using Carbon Capture and Sequestration (CCS) to reduce existing greenhouse gas emissions from industrial sources on a large-scale. The Project will capture more than 700,000 metric tonnes of CO₂ per year, which is currently being vented to the atmosphere from the Shell Martinez Refinery in Contra Costa County. The CO₂ will be compressed and dehydrated at the refinery and then transported via pipeline to a sequestration site in a rural area in neighboring Solano County. The CO₂ will be sequestered into a deep saline formation (more than two miles underground) and will be monitored to assure secure, long-term containment. The pipeline will be designed to carry as much as 1,400,000 metric tonnes of CO₂ per year, so additional capacity will be available to accommodate CO₂ captured from other industrial sources. The Project is expected to begin operation in 2015. The Project has two distinct phases. The overall objective of Phase 1 was to develop a fully definitive design basis for the Project. The Cooperative Agreement with the DOE provided cost sharing for Phase 1 and the opportunity to apply for additional DOE cost sharing for Phase 2, comprising the design, construction and operation of the Project. Phase 1 has been completed. DOE co-funding is provided by the American Recovery and Reinvestment Act (ARRA) of 2009. As prescribed by ARRA, the Project will stimulate the local economy by creating manufacturing, transportation, construction, operations, and management jobs while addressing the need to reduce greenhouse gas emissions at an accelerated pace. The Project, which will also assist in meeting the CO₂ reduction requirements set

Electronic and magnetic properties of double perovskite Sr2CoUO6: Heisenberg model

Science.gov (United States)

Nid-bahami, A.; Ahmed, S. Sidi; Ait-Tamerd, M.; Zaari, H.; El Kenz, A.; Benyoussef, A.

2018-01-01

This work will be focused on the electronic and magnetic properties of Sr2CoUO6 (SCUO) using ab-initio calculations and Monte Carlo Simulation (MCS). Firstly, we calculate the exchange coupling and the crystal field, then, the electronic and magnetic properties will be studied, using the full-potential linearized augmented plane wave (FP-LAPW) method, as implemented in the Wien2k code. This method employing the generalized gradient approximation (GGA) for exchange-correlation term. The half-metallic ferromagnetic nature implies a potential application of this new compound in spintronics devices. Also, we have presented the results of the band structures and densities of states for the two up and down spin polarizations. The exchange coupling and the crystal field calculated are J = 0 . 567 meV and δ = 0 . 559meV, and total spin magnetic moments is 2.96 μB closed to experimental values 3 μB. Secondly, we have presented the results for the magnetization and the susceptibility as a function of temperature. Finally, we obtain the critical temperature T = 9 . 20 K by MCS in good agreement with the experimental value.

Influence of Electron Molecule Resonant Vibrational Collisions over the Symmetric Mode and Direct Excitation-Dissociation Cross Sections of CO2 on the Electron Energy Distribution Function and Dissociation Mechanisms in Cold Pure CO2 Plasmas.

Science.gov (United States)

Pietanza, L D; Colonna, G; Laporta, V; Celiberto, R; D'Ammando, G; Laricchiuta, A; Capitelli, M

2016-05-05

A new set of electron-vibrational (e-V) processes linking the first 10 vibrational levels of the symmetric mode of CO2 is derived by using a decoupled vibrational model and inserted in the Boltzmann equation for the electron energy distribution function (eedf). The new eedf and dissociation rates are in satisfactory agreement with the corresponding ones obtained by using the e-V cross sections reported in the database of Hake and Phelps (H-P). Large differences are, on the contrary, found when the experimental dissociation cross sections of Cosby and Helm are inserted in the Boltzman equation. Comparison of the corresponding rates with those obtained by using the low-energy threshold energy, reported in the H-P database, shows differences up to orders of magnitude, which decrease with the increasing of the reduced electric field. In all cases, we show the importance of superelastic vibrational collisions in affecting eedf and dissociation rates either in the direct electron impact mechanism or in the pure vibrational mechanism.

Modern ICT Tools: Online Electronic Resources Sharing Using Web ...

African Journals Online (AJOL)

Modern ICT Tools: Online Electronic Resources Sharing Using Web 2.0 and Its Implications For Library And Information Practice In Nigeria. ... The PDF file you selected should load here if your Web browser has a PDF reader plug-in installed (for example, a recent version of Adobe Acrobat Reader). If you would like more ...

Graphene and TiO_2 co-modified flower-like Bi_2O_2CO_3: A novel multi-heterojunction photocatalyst with enhanced photocatalytic activity

International Nuclear Information System (INIS)

Ao, Yanhui; Xu, Liya; Wang, Peifang; Wang, Chao; Hou, Jun; Qian, Jin; Li, Yi

2015-01-01

Graphical abstract: A novel multi-heterojunction photocatalyst (graphene and TiO_2 co-modified flower-like Bi_2O_2CO_3) was prepared for the first time. The as-obtained samples showed much higher activity compared to pure Bi_2O_2CO_3, TiO_2 and GR–Bi_2O_2CO_3 for dye degradation, which is almost 14 times higher than that of pure Bi_2O_2CO_3 and also much higher than the sum of graphene–Bi_2O_2CO_3 and TiO_2. - Highlights: • Graphene and TiO_2 co-modified flower-like Bi_2O_2CO_3 was prepared for the first time. • The sample shows enhanced photocatalytic activity due to the formation of multi-heterojunction. • The sample also exhibits a synergetic effect of graphene and TiO_2. • The composite photocatalyst shows a good stability for dye degradation. - Abstract: In this paper, graphene (GR) and titania co-modified flower-like Bi_2O_2CO_3 multi-heterojunction composite photocatalysts were prepared by a simple and feasible two step hydrothermal process. The prepared samples were analyzed by X-ray diffraction (XRD) and scanning electron microscope (SEM), transmission electron microscopy (TEM), UV–vis diffuse reflectance spectrometry (DRS), photoluminescence (PL), N_2 adsorption–desorption isotherm, and photo-induced current. The photocatalytic activity was investigated by the degradation of MO under UV light irradiation. The as prepared multi-heterojunction GR/Bi_2O_2CO_3/TiO_2 composites exhibited much higher photocatalytic activity than pure Bi_2O_2CO_3, TiO_2 and GR–Bi_2O_2CO_3. The higher performance of GR/Bi_2O_2CO_3/TiO_2 can be ascribed to the formation of multi-heterojunctions, which promote the effective separation of photo-induced electron–hole pairs. Moreover, the higher photocatalytic activity can also be ascribed to the high surface area of GR and TiO_2, which offers more active sites for the photodegradation reaction. Furthermore, the photocatalytic activity of GR/Bi_2O_2CO_3/TiO_2 remained without striking decrease after five cycles

Low temperature synthesis of layered NaxCoO2 and KxCoO2 from ...

Indian Academy of Sciences (India)

Unknown

Layered oxides have interesting chemical and physical properties. .... composition of these crystalline phases were obtained from scanning electron microscopy ... 2.2a Cobalt estimation: About 50 mg of the compound was dissolved in 10 ml of 6 M ... images of the parent Na0⋅2CoO2 and those ion exchanged with H+, Li+ ...

Practical guide to electronic resources in the humanities

CERN Document Server

Dubnjakovic, Ana

2010-01-01

From full-text article databases to digitized collections of primary source materials, newly emerging electronic resources have radically impacted how research in the humanities is conducted and discovered. This book, covering high-quality, up-to-date electronic resources for the humanities, is an easy-to-use annotated guide for the librarian, student, and scholar alike. It covers online databases, indexes, archives, and many other critical tools in key humanities disciplines including philosophy, religion, languages and literature, and performing and visual arts. Succinct overviews of key eme

Electronic Structure and Thermoelectric Properties of Ca3 Co4O9

Institute of Scientific and Technical Information of China (English)

无

2006-01-01

The relation among electronic structure, chemical bond and thermoelectric property of Ca3 Co4 O9 was studied using density function and discrete variation method (DFT-DVM).The gap between the highest valence band (HVB) and the lowest conduction band (LCB) shows a semiconducting property.Ca3 Co4 O9 colsists of CoO2 and Ca2 CoO3 two layers.The HVB and LCB near Fermi level are only mainly from O(2) 2p and Co(2) 3d in Ca2 CoO3 layer. Therefore, the semiconducting or thermoelectric property of Ca3 Co4 O9 should be mainly from Ca2 CoO3 layer, but it seems to have no direct relation to the CoO2 layer,which is consistent with that binary oxides hardly have a thermoelectric property, but trinary oxide compounds have quite a good thermoelectric property.The covalent and ionic bonds of Ca2 CoO3 layer are both weaker than those of CoO2 layer.Ca plays the role of connections between CoO2 and Ca2 CoO3 layers in Ca3 Co4 O9, decrease the ionic and covalent bond strength, and improve the thermoelectric property.

Thermal electron attachment to CHF2CL in mixtures with CO2 and N2

International Nuclear Information System (INIS)

Szamrej, I.; Jowko, J.; Forys, M.

1996-01-01

Electron attachment to CHF 2 Cl in mixtures with nitrogen and carbon dioxide has been investigated using an electron swarm method. The attachment mechanism involving both two-body process and electron capture by van der Waals complexes ((CHF 2 Cl x N 2 ) and CHF 2 Cl) was found. The corresponding rate constants are equal to (1.1 ± 0.1) x 10- 13 cm 3 molec -1 s -1 , (2.0 ± 0.1) x 10 -33 cm 6 ) molec -2 s -1 and (1.1 ± 0.1) x 10- 50 cm 9 molec -3 ) s -1 , respectively. (Author)

Adsorption of CO, CO2, H2, and H2O on titania surfaces with different oxidation states

International Nuclear Information System (INIS)

Raupp, G.B.; Dumesic, J.A.

1985-01-01

The adsorptive properties of titania surfaces with different oxidation states were proved by temperature-programmed desorption (TPD) of CO, H 2 , CO 2 , and H 2 O. Auger electron spectroscopy and X-ray photoelectron spectroscopy revealed that vacuum annealing an oxidized titanium foil at temperatures from 300 to 800 K was an effective means of systematically varying the average surface oxidation state from Ti 4+ to Ti 2+ . Carbon monoxide weakly adsorbed (desorption energy of 44-49 kJ x mol -1 ) in a carbonyl fashion on coordinatively unsaturated cation sites. Titania surfaces were inert with respect to H 2 adsorption and dissociation. Carbon dioxide adsorbed in a linear molecular fashion. Water adsorbed both molecularly and dissociatively. Results are discussed in terms of the role of titania oxidation state in CO hydrogenation over titania-supported metal catalysts. 74 references, 7 figures

Cu-Sn Bimetallic Catalyst for Selective Aqueous Electroreduction of CO2 to CO

KAUST Repository

Sarfraz, Saad

2016-03-23

We report a selective and stable electrocatalyst utilizing non-noble metals consisting of Cu and Sn for the efficient and selective reduction of CO2 to CO over a wide potential range. The bimetallic electrode was prepared through the electrodeposition of Sn species on the surface of oxide-derived copper (OD-Cu). The Cu surface, when decorated with an optimal amount of Sn, resulted in a Faradaic efficiency (FE) for CO greater than 90% and a current density of −1.0 mA cm−2 at −0.6 V vs. RHE, compared to the CO FE of 63% and −2.1 mA cm−2 for OD-Cu. Excess Sn on the surface caused H2 evolution with a decreased current density. X-ray diffraction (XRD) suggests the formation of Cu-Sn alloy. Auger electron spectroscopy of the sample surface exhibits zero-valent Cu and Sn after the electrodeposition step. Density functional theory (DFT) calculations show that replacing a single Cu atom with a Sn atom leaves the d-band orbitals mostly unperturbed, signifying no dramatic shifts in the bulk electronic structure. However, the Sn atom discomposes the multi-fold sites on pure Cu, disfavoring the adsorption of H and leaving the adsorption of CO relatively unperturbed. Our catalytic results along with DFT calculations indicate that the presence of Sn on reduced OD-Cu diminishes the hydrogenation capability—i.e., the selectivity towards H2 and HCOOH—while hardly affecting the CO productivity. While the pristine monometallic surfaces (both Cu and Sn) fail to selectively reduce CO2, the Cu-Sn bimetallic electrocatalyst generates a surface that inhibits adsorbed H*, resulting in improved CO FE. This study presents a strategy to provide a low-cost non-noble metals that can be utilized as a highly selective electrocatalyst for the efficient aqueous reduction of CO2.

Utilisation of Electronic Information Resources By Lecturers in ...

African Journals Online (AJOL)

This study assesses the use of information resources, specifically, electronic databases by lecturers/teachers in Universities and Colleges of Education in South Western Nigeria. Information resources are central to teachers' education. It provides lecturers/teachers access to information that enhances research and ...

Spin-polarized electron gas in Co2MSi/SrTiO3(M= Ti, V, Cr, Mn, and Fe) heterostructures

KAUST Repository

Nazir, S.

2016-06-08

Spin-polarized density functional theory is used to study the TiO2 terminated interfaces between the magnetic Heusler alloys Co2Si (M = Ti, V, Cr, Mn, and Fe) and the non-polar band insulator SrTiO3. The structural relaxation at the interface turns out to depend systematically on the lattice mis- match. Charge transfer from the Heusler alloys (mainly the M 3d orbitals) to the Ti dxy orbitals of the TiO2 interface layer is found to gradually grow from M = Ti to Fe, resulting in an electron gas with increasing density of spin-polarized charge carriers. (© 2016 WILEY-VCH Verlag GmbH &Co. KGaA, Weinheim). © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim

Structural and magnetic properties of SmCo-based magnetic films grown by electron-beam evaporation

Energy Technology Data Exchange (ETDEWEB)

Saravanan, P., E-mail: psdrdo@gmail.com [Defence Metallurgical Research Laboratory, Hyderabad 500058 (India); Vinod, V.T.P.; Černík, Miroslav [Institute for Nanomaterials, Advanced Technologies and Innovation, Department of Natural Sciences, Technical University of Liberec, Studentská 1402/2, Liberec 1, 461 17 (Czech Republic); Vishnuraj, R.; Arout Chelvane, J.; Kamat, S.V. [Defence Metallurgical Research Laboratory, Hyderabad 500058 (India); Hsu, Jen-Hwa, E-mail: jhhsu@phys.ntu.edu.tw [Department of Physics, National Taiwan University, Taipei 106, Taiwan (China)

2015-07-01

Sub-micron thick Sm–Co films (200 and 300 nm) with selective phase composition are grown on Si (100) substrates by electron-beam evaporation using Sm-lean alloy targets such as Sm{sub 4}Co{sub 96} and Sm{sub 8}Co{sub 92}. The structural and magnetic properties of Sm–Co films are characterized by x-ray diffraction (XRD), field-emission scanning electron microscopy (FESEM) and super-conducting quantum interference device (SQUID) magnetometer. The Sm–Co films obtained with the Sm{sub 4}Co{sub 96} target exhibit Sm{sub 2}Co{sub 17} as a prominent phase; while the films produced with the Sm{sub 8}Co{sub 92} target show Sm{sub 2}Co{sub 7} as a major phase. Both the Sm–Co films reveal granular morphology; however, the estimated grain size values are slightly lower in the case of Sm{sub 2}Co{sub 7} films, irrespective of their thicknesses. Coercivity (H{sub c}) values of 1.48 and 0.9 kOe are achieved for the as-grown 200-nm thick Sm{sub 2}Co{sub 17} and Sm{sub 2}Co{sub 7}-films. Temperature-dependent magnetization studies confirm that the demagnetization behaviors of these films are consistent with respect to the identified phase composition. Upon rapid thermal annealing, maximum H{sub c} value of 8.4 kOe is achieved for the 200 nm thick Sm{sub 2}Co{sub 17}-films. As far as e-beam evaporated Sm–Co films are concerned, this H{sub c} value is one of the best values reported so far. - Highlights: • Electron-beam evaporation was exploited to grow sub-μm thick Sm–Co films. • Sm{sub 2}Co{sub 7} and Sm{sub 2}Co{sub 17} magnetic phases were crystallized using Sm-lean alloy targets. • Both 200 and 300-nm thick Sm–Co films revealed distinct granular morphology. • Sm–Co films of lower thickness exhibited high H{sub c} and low M{sub s} and vice-versa. • Coercivity value of 8.4 kOe achieved for the 200-nm thick Sm{sub 2}Co{sub 17}-films after RTA.

Adsorption behavior of Co anchored on graphene sheets toward NO, SO2, NH3, CO and HCN molecules

International Nuclear Information System (INIS)

Tang, Yanan; Chen, Weiguang; Li, Chenggang; Pan, Lijun; Dai, Xianqi; Ma, Dongwei

2015-01-01

Graphical abstract: - Highlights: • In contrast to the pristine graphene, a vacancy defect in graphene strongly stabilizes the Co atom. • The positively charged of Co atom on graphene can regulate the stability of gas molecules. • Different gas molecules can modulate the electronic structure of Co–graphene systems. • The adsorbed NO on Co–graphene can effectively regulate the magnetic properties of systems. - Abstract: Based on the first-principles of density-functional theory (DFT), the effects of gas adsorption on the change in geometric stability, electronic structure and magnetic properties of graphene with anchored Co (Co–graphene) systems were investigated. A single Co adatom interacts much weaker with pristine graphene (Co/pri–graphene) than with the graphene containing a single vacancy (Co/SV–graphene). The Co dopant provides more electrons to the dangling bonds of carbon atom at defective site and exhibits more positive charges, which makes Co/SV–graphene less prone to be adsorbed by gas molecules in comparison to Co/pri–graphene. It is found that the electronic structure and magnetic properties of Co–graphene systems can be modulated by adsorbing gas molecules. Except the NH 3 molecule, the adsorbed NO, SO 2 , CO or HCN as electron acceptors on the Co/pri–graphene can exhibit semiconducting properties. Among the gas molecules, the strong adsorption of NO molecule can effectively regulate the magnetic properties of Co–graphene systems. Moreover, the stable configuration of Co/SV–graphene is more likely to be the gas sensor for detecting NO and SO 2 . The results validate that the reactivity of atomic-scale catalyst is supported on graphene sheets, which is expected to be potentially efficient in the gas sensors and electronic device

The first 3D malonate bridged copper [Cu(O2C–CH2–CO2H)2·2H2O]: Structure, properties and electronic structure

International Nuclear Information System (INIS)

Seguatni, A.; Fakhfakh, M.; Smiri, L.S.; Gressier, P.; Boucher, F.; Jouini, N.

2012-01-01

A new inorganic-organic compound [Cu(O 2 C–CH 2 –CO 2 H) 2 ·2H 2 O] ([Cumal]) was hydrothermally synthesized and characterized by IR spectroscopy, thermal analysis and single crystal X-ray diffraction. [Cumal] is the first three-dimensional compound existing in the system Cu(II)–malonic acid–H 2 O. Its framework is built up through carboxyl bridged copper where CuO 6 octahedra are elongated with an almost D 4h symmetry (4+2) due to the Jahn–Teller effect. The magnetic properties were studied by measuring its magnetic susceptibility in the temperature range of 2–300 K indicating the existence of weak ferromagnetic interactions. The electronic structure of [Cumal] was calculated within the density functional theory (DFT) framework. Structural features are well reproduced using DFT structural optimizations and the optical spectra, calculated within the dielectric formalism, explain very well the light blue colour of the compound. It is shown that a GGA+U approach with a U eff value of about 6 eV is necessary for a better correlation with the experiment. - Graphical abstract: [Cu(O 2 C–CH 2 –CO 2 H) 2 ·2H 2 O]: the first 3D hybrid organic–inorganic compound built up carboxyl groups. The network presents a diamond-like structure achieved via carboxyl. Highlights: ► A new organic–inorganic material with an unprecedented topology is synthesized. ► Crystallographic structure is determined using single crystal X-ray diffraction. ► Electronic structure is obtained from DFT, GGA+U calculation. ► Framework can be described as formed from CuC 4 tetrahedron sharing four corners. ► This structure can be classified as an extended diamond structure.

Model analyses for sustainable energy supply under CO2 restrictions

International Nuclear Information System (INIS)

Matsuhashi, Ryuji; Ishitani, Hisashi.

1995-01-01

This paper aims at clarifying key points for realizing sustainable energy supply under restrictions on CO 2 emissions. For this purpose, possibility of solar breeding system is investigated as a key technology for the sustainable energy supply. The authors describe their mathematical model simulating global energy supply and demand in ultra-long term. Depletion of non-renewable resources and constraints on CO 2 emissions are taken into consideration in the model. Computed results have shown that present energy system based on non-renewable resources shifts to a system based on renewable resources in the ultra-long term with appropriate incentives

Renewable Formate from C-H Bond Formation with CO2: Using Iron Carbonyl Clusters as Electrocatalysts.

Science.gov (United States)

Loewen, Natalia D; Neelakantan, Taruna V; Berben, Louise A

2017-09-19

As a society, we are heavily dependent on nonrenewable petroleum-derived fuels and chemical feedstocks. Rapid depletion of these resources and the increasingly evident negative effects of excess atmospheric CO 2 drive our efforts to discover ways of converting excess CO 2 into energy dense chemical fuels through selective C-H bond formation and using renewable energy sources to supply electrons. In this way, a carbon-neutral fuel economy might be realized. To develop a molecular or heterogeneous catalyst for C-H bond formation with CO 2 requires a fundamental understanding of how to generate metal hydrides that selectively donate H - to CO 2 , rather than recombining with H + to liberate H 2 . Our work with a unique series of water-soluble and -stable, low-valent iron electrocatalysts offers mechanistic and thermochemical insights into formate production from CO 2 . Of particular interest are the nitride- and carbide-containing clusters: [Fe 4 N(CO) 12 ] - and its derivatives and [Fe 4 C(CO) 12 ] 2- . In both aqueous and mixed solvent conditions, [Fe 4 N(CO) 12 ] - forms a reduced hydride intermediate, [H-Fe 4 N(CO) 12 ] - , through stepwise electron and proton transfers. This hydride selectively reacts with CO 2 and generates formate with >95% efficiency. The mechanism for this transformation is supported by crystallographic, cyclic voltammetry, and spectroelectrochemical (SEC) evidence. Furthermore, installation of a proton shuttle onto [Fe 4 N(CO) 12 ] - facilitates proton transfer to the active site, successfully intercepting the hydride intermediate before it reacts with CO 2 ; only H 2 is observed in this case. In contrast, isoelectronic [Fe 4 C(CO) 12 ] 2- features a concerted proton-electron transfer mechanism to form [H-Fe 4 C(CO) 12 ] 2- , which is selective for H 2 production even in the presence of CO 2 , in both aqueous and mixed solvent systems. Higher nuclearity clusters were also studied, and all are proton reduction electrocatalysts, but none

Comparative study of electronic and magnetic properties of Pc ( = Fe, Co) molecules physisorbed on 2D MoS and graphene

KAUST Repository

Haldar, Soumyajyoti; Bhandary, Sumanta; Vovusha, Hakkim; Sanyal, Biplab

2017-01-01

In this paper, we have done a comparative study of electronic and magnetic properties of iron phthalocyanine (FePc) and cobalt phthalocyanine (CoPc) molecules physisorbed on monolayer of MoS$_2$ and graphene by using density functional theory

Co2+-doped diopside: crystal structure and optical properties

Science.gov (United States)

Gori, C.; Tribaudino, M.; Mezzadri, F.; Skogby, H.; Hålenius, U.

2018-05-01

Synthetic clinopyroxenes along the CaMgSi2O6-CaCoSi2O6 join were investigated by a combined chemical-structural-spectroscopic approach. Single crystals were synthesized by flux growth methods, both from Ca-saturated and Ca-deficient starting compositions. Single crystal structure refinements show that the incorporation of Co2+ at the octahedrally coordinated cation sites of diopside, increases the unit-cell as well as the M1 and the M2 polyhedral volumes. Spectroscopic investigations (UV-VIS-NIR) of the Ca-rich samples reveal three main optical absorption bands, i.e. 4 T 1g → 4 T 2g( F), 4 T 1g → 4 A 2g( F) and 4 T 1g → 4 T 1g( P) as expected for Co2+ at a six-coordinated site. The bands arising from the 4 T 1g → 4 T 2g( F) and the 4 T 1g → 4 T 1g( P) electronic transitions, are each split into two components, due to the distortions of the M1 polyhedron from ideal Oh-symmetry. In spectra of both types, a band in the NIR range at ca 5000 cm-1 is caused by the 4 A 2g → 4 T 1g( F) electronic transition in Co2+ in a cubic field in the M2 site. Furthermore, an additional component to a band system at 14,000 cm-1, due to electronic transitions in Co2+ at the M2 site, is recorded in absorption spectra of Ca-deficient samples. No variations in Dq and Racah B parameters for Co2+ at the M1 site in response to compositional changes, were demonstrated, suggesting complete relaxation of the M1 polyhedron within the CaMgSi2O6-CaCoSi2O6 solid solution.

Discipline, availability of electronic resources and the use of Finnish National Electronic Library - FinELib

Directory of Open Access Journals (Sweden)

Sanna Torma

2004-01-01

Full Text Available This study elaborated relations between digital library use by university faculty, users' discipline and the availability of key resources in the Finnish National Electronic Library (FinELib, Finnish national digital library, by using nationwide representative survey data. The results show that the perceived availability of key electronic resources by researchers in FinELib was a stronger predictor of the frequency and purpose of use of its services than users' discipline. Regardless of discipline a good perceived provision of central resources led to a more frequent use of FinELib. The satisfaction with the services did not vary with the discipline, but with the perceived availability of resources.

The Role of the Acquisitions Librarian in Electronic Resources Management

Science.gov (United States)

Pomerantz, Sarah B.

2010-01-01

With the ongoing shift to electronic formats for library resources, acquisitions librarians, like the rest of the profession, must adapt to the rapidly changing landscape of electronic resources by keeping up with trends and mastering new skills related to digital publishing, technology, and licensing. The author sought to know what roles…

Resonance and nuclear relaxation in GdCo2

International Nuclear Information System (INIS)

Barata, A.C.

1988-04-01

A study of the 59 Co nuclear magnetic resonance and relaxation was made on the intermetallic compound GdCo 2 from 4,2 k to 330 k using the spin echo technique. An oscillatory behaviour of the primary echo was observed in the whole range of temperatures studied. This is due to the electronic quadrupole interaction of the 59 Co nuclei. (A.C.A.S.) [pt

Seasonal response of photosynthetic electron transport and energy dissipation in the eighth year of exposure to elevated atmospheric CO2 (FACE) in Pinus taeda (loblolly pine)

International Nuclear Information System (INIS)

Logan, B.A.; Combs, A.; Kent, R.; Stanley, L.; Myers, K.; Tissue, D.T.; Western Sydney Univ., Richmond, NSW

2009-01-01

This study investigated the biological adaptation of loblolly pine following long-term seasonal exposure to elevated carbon dioxide (CO 2 ) partial pressures (pCO 2 ). Exposure to elevated atmospheric CO 2 (pCO 2 ) usually results in significant stimulation in light-saturated rates of photosynthetic CO 2 assimilation. Plants are protected against photoinhibition by biochemical processes known as photoprotection, including energy dissipation, which converts excess absorbed light energy into heat. This study was conducted in the eighth year of exposure to elevated pCO 2 at the Duke FACE site. The effect of elevated pCO 2 on electron transport and energy dissipation in the pine trees was examined by coupling the analyses of the capacity for photosynthetic oxygen (O 2 ) evolution, chlorophyll fluorescence emission and photosynthetic pigment composition with measurements of net photosynthetic CO 2 assimilation (Asat). During the summer growing season, Asat was 50 per cent higher in current-year needles and 24 per cent higher in year-old needles in elevated pCO 2 in comparison with needles of the same age cohort in ambient pCO 2 . Thus, older needles exhibited greater photosynthetic down-regulation than younger needles in elevated pCO 2 . In the winter, Asat was not significantly affected by growth pCO 2 . Asat was lower in winter than in summer. Growth at elevated pCO 2 had no significant effect on the capacity for photosynthetic oxygen evolution, photosystem 2 efficiencies, chlorophyll content or the size and conversion state of the xanthophyll cycle, regardless of season or needle age. There was no evidence that photosynthetic electron transport or photoprotective energy dissipation responded to compensate for the effects of elevated pCO 2 on Calvin cycle activity. 73 refs., 4 figs

Structural and physical properties of the NaxCoO2·yH2O superconducting system

International Nuclear Information System (INIS)

Shi, Y G; Li, J Q; Yu, H C; Zhou, Y Q; Zhang, H R; Dong, C

2004-01-01

The structural features and physical properties of Na x CoO 2 and Na x CoO 2 ·yH 2 O materials have been investigated. The Na x CoO 2 -yH 2 O samples, in general, undergo superconducting transitions at around 3.5 K. Energy dispersive x-ray analyses suggest that our samples have average compositions of Na 0.65 CoO 2 for the parent compounds and Na 0.26 CoO 2 ·yH 2 O for the superconducting oxyhydrates. Transmission electron microscopy observations reveal a new superstructure with wave vector q = in the parent material. This superstructure becomes very weak in the superconducting samples. Electron energy loss spectra analyses show that the Co ions have valence states of around +3.3 in Na 0.65 CoO 2 and around +3.7 in Na 0.26 CoO 2 -yH 2 O

The water-water cycle in leaves is not a major alternative electron sink for dissipation of excess excitation energy when CO2 assimilation is restricted

NARCIS (Netherlands)

Driever, S.M.; Baker, N.R.

2011-01-01

Electron flux from water via photosystem II (PSII) and PSI to oxygen (water–water cycle) may provide a mechanism for dissipation of excess excitation energy in leaves when CO2 assimilation is restricted. Mass spectrometry was used to measure O2 uptake and evolution together with CO2 uptake in leaves

ELECTRON IRRADIATION OF KUIPER BELT SURFACE ICES: TERNARY N2-CH4-CO MIXTURES AS A CASE STUDY

International Nuclear Information System (INIS)

Kim, Y. S.; Kaiser, R. I.

2012-01-01

The space weathering of icy Kuiper Belt Objects was investigated in this case study by exposing methane (CH 4 ) and carbon monoxide (CO) doped nitrogen (N 2 ) ices at 10 K to ionizing radiation in the form of energetic electrons. Online and in situ Fourier transform infrared spectroscopy was utilized to monitor the radiation-induced chemical processing of these ices. Along with isocyanic acid (HNCO), the products could be mainly derived from those formed in irradiated binary ices of the N 2 -CH 4 and CO-CH 4 systems: nitrogen-bearing products were found in the form of hydrogen cyanide (HCN), hydrogen isocyanide (HNC), diazomethane (CH 2 N 2 ), and its radical fragment (HCN 2 ); oxygen-bearing products were of acetaldehyde (CH 3 CHO), formyl radical (HCO), and formaldehyde (H 2 CO). As in the pure ices, the methyl radical (CH 3 ) and ethane (C 2 H 6 ) were also detected, as were carbon dioxide (CO 2 ) and the azide radical (N 3 ). Based on the temporal evolution of the newly formed products, kinetic reaction schemes were then developed to fit the temporal profiles of the newly formed species, resulting in numerical sets of rate constants. The current study highlights important constraints on the preferential formation of isocyanic acid (HNCO) over hydrogen cyanide (HCN) and hydrogen isocyanide (HNC), thus guiding the astrobiological and chemical evolution of those distant bodies.

Analysis of Pedagogic Potential of Electronic Educational Resources with Elements of Autodidactics

Directory of Open Access Journals (Sweden)

Igor A.

2018-03-01

Full Text Available Introduction: in recent years didactic properties of electronic educational resources undergo considerable changes, nevertheless, the question of studying of such complete phenomenon as “an electronic educational resource with autodidactics elements” remains open, despite sufficient scientific base of researches of the terms making this concept. Article purpose – determination of essence of electronic educational resources with autodidactics elements. Materials and Methods: the main method of research was the theoretical analysis of the pedagogical and psychological literature on the problem under study. We used the theoretical (analysis, synthesis, comparison and generalization methods, the method of interpretation, pedagogical modeling, and empirical methods (observation, testing, conversation, interview, analysis of students’ performance, pedagogical experiment, peer review. Results: we detected the advantages of electronic educational resources in comparison with traditional ones. The concept of autodidactics as applied to the subject of research is considered. Properties of electronic educational resources with a linear and nonlinear principle of construction are studied.The influence of the principle of construction on the development of the learners’ qualities is shown. We formulated an integral definition of electronic educational resources with elements of autodidactics, namely, the variability, adaptivity and cyclicity of training. A model of the teaching-learning process with electronic educational resources is developed. Discussion and Conclusions: further development of a problem will allow to define whether electronic educational resources with autodidactics elements pedagogical potential for realization of educational and self-educational activity of teachers have, to modify technological procedures taking into account age features of students, their specialties and features of the organization of process of training of

Dielectric and magnetic characterization of the electroceramic Ba2Co2Fe12O22 doped with Bi2O3 for applications in electronics components

International Nuclear Information System (INIS)

Pires Junior, G.F.M.; Sales, A.J.M.; Rodrigues, H.O.; Sombra, A.S.B.

2012-01-01

The objective of this work is to study the dielectric and magnetic properties of electroceramics (Ba 2 Co 2 Fe 12 O 22 - Co 2 Y) doped with (3; 5 and 10 wt%) of Bi 2 O 3 in order to promote better dielectric and magnetic properties for applications in electronics. Phase Co 2 Y was obtained through the method of solid-state reaction. The structural characterization was performed by X-ray Diffraction using the Rietveld refinement. Magnetic hysteresis curves of the samples were obtained at room temperature. The Impedance Spectroscopy was used in the study of the dielectric function of frequency in the range 100-100 MHz, at room temperature. It follows that the Rietveld refinement confirmed the structure to the hexagonal crystalline phase obtained. The curve analysis confirmed the magnetic hysteresis behavior of the ferrimagnetic samples. Furthermore, the samples showed large values of dielectric permittivity (30.8) and small dielectric loss (3,66 x10 -1 ) at 100 MHz for the sample B1, making them passive miniaturization. (author)

Preservation and conservation of electronic information resources of ...

African Journals Online (AJOL)

The major holdings of the broadcast libraries of the Nigerian Television Authority (NTA) are electronic information resources; therefore, providing safe places for general management of these resources have aroused interest in the industry in Nigeria for sometimes. The need to study the preservation and conservation of ...

Building an electronic resource collection a practical guide

CERN Document Server

Lee, Stuart D

2004-01-01

This practical book guides information professionals step-by-step through building and managing an electronic resource collection. It outlines the range of electronic products currently available in abstracting and indexing, bibliographic, and other services and then describes how to effectively select, evaluate and purchase them.

Analysis of Human Resources Management Strategy in China Electronic Commerce Enterprises

Science.gov (United States)

Shao, Fang

The paper discussed electronic-commerce's influence on enterprise human resources management, proposed and proved the human resources management strategy which electronic commerce enterprise should adopt from recruitment strategy to training strategy, keeping talent strategy and other ways.

Enhanced selective photocatalytic CO{sub 2} reduction into CO over Ag/CdS nanocomposites under visible light

Energy Technology Data Exchange (ETDEWEB)

Zhu, Zezhou; Qin, Jiani; Jiang, Min; Ding, Zhengxin; Hou, Yidong, E-mail: ydhou@fzu.edu.cn

2017-01-01

Highlights: • Ag/CdS nanocomposites were prepared by a facile photodeposition method. • Ag/CdS was more effective as a photocatalyst for CO{sub 2} reduction than CdS. • Ag as cocatalyst served as electron trap as well as active site for CO{sub 2} reduction reaction. - Abstract: Photocatalytic reduction of carbon dioxide can convert chemically inert carbon dioxide into useful chemical fuel in a mild manner. Herein, Ag-CdS nanocomposites were prepared by photodeposition method and examined for photocatalytic CO{sub 2} reduction under visible light. Meanwhile, the nanocomposites were characterized by XRD, SEM, TEM, XPS, DRS and PL in detail. The results show that, the deposition of Ag improves the photocatalytic performance of CdS, especially in the selectivity of CO{sub 2}-to-CO. The highest photocatalytic activity is achieved over 1.0 wt.% Ag/CdS, with an increase by 3 times in comparison to CdS. In this reaction system, Ag can serve as electron trap as well as active site for CO{sub 2} reduction, which is probably responsible for the enhanced activity and selectivity of CO{sub 2} to CO over Ag/CdS. The possible mechanism of CO{sub 2} photoreduction over Ag/CdS was proposed in view of the abovementioned analysis.

Methods to Assess Geological CO2 Storage Capacity: Status and Best Practice

Energy Technology Data Exchange (ETDEWEB)

NONE

2013-08-01

To understand the emission reduction potential of carbon capture and storage (CCS), decision makers need to understand the amount of CO2 that can be safely stored in the subsurface and the geographical distribution of storage resources. Estimates of storage resources need to be made using reliable and consistent methods. Previous estimates of CO2 storage potential for a range of countries and regions have been based on a variety of methodologies resulting in a correspondingly wide range of estimates. Consequently, there has been uncertainty about which of the methodologies were most appropriate in given settings, and whether the estimates produced by these methods were useful to policy makers trying to determine the appropriate role of CCS. In 2011, the IEA convened two workshops which brought together experts for six national surveys organisations to review CO2 storage assessment methodologies and make recommendations on how to harmonise CO2 storage estimates worldwide. This report presents the findings of these workshops and an internationally shared guideline for quantifying CO2 storage resources.

Electron Capture in Proton Collisions with CO.

Science.gov (United States)

Stancil, P. C.; Schultz, D. R.; Kimura, M.; Gu, J.-P.; Hirsch, G.; Buenker, R. J.; Li, Y.

1999-10-01

Electron capture by protons following collisions with carbon monoxide is studied with a variety of theoretical approaches including quantal and semiclassical molecular-orbital close-coupling (MOCC) and classical trajectory Monte Carlo (CTMC) techniques. The MOCC treatments utilize potential surfaces and couplings computed for a range of H^+-CO orientation angles and C-O separations. Results including integral, differential, electronic state-selective, and vibrational state-selective cross sections will be presented for low- to intermediate-energies. Comparison with experiment will be made where possible and the relevance of the reaction in astrophysics and atmospheric physics will be discussed.

Using XML Technologies to Organize Electronic Reference Resources

OpenAIRE

Huser, Vojtech; Del Fiol, Guilherme; Rocha, Roberto A.

2005-01-01

Provision of access to reference electronic resources to clinicians is becoming increasingly important. We have created a framework for librarians to manage access to these resources at an enterprise level, rather than at the individual hospital libraries. We describe initial project requirements, implementation details, and some preliminary results.

/sup 57/Co Moessbauer study of the recovery process of electron-irradiated gold

Energy Technology Data Exchange (ETDEWEB)

Tanaka, I.; Nasu, S.; Fujita, F.E.

1988-03-15

The recovery process of Au--10-at. ppm-Co alloy after electron irradiation at 78 K was investigated by means of /sup 57/Co emission Moessbauer spectroscopy. Three satellite lines were observed and assigned to the small interstitial(I)--Co complexes, the micro-I-loops containing Co atoms and the divacancy-Co complexes, respectively. A fairly strong binding energy between the interstitial and Co atoms in small I-Co complexes, most probably larger than 0.2 eV, was deduced

PRECIPITATION BEHAVIOR OF Co PHASES IN B2-ORDERED(Ni,Co)Al COMPOUND

Institute of Scientific and Technical Information of China (English)

W.H. Tian; A.L. Fan; M. Nemoto

2002-01-01

The precipitation behavior of Co phases in B2-ordered (Ni, Co)Al has been investigatedin terms of transmission electron microscopy. Fine precipitation off cc-Co occurs in(Ni, Co)Al by aging at temperature over 973K. The orientation relationship betweenthe fcc-Co precipitates and the B2-(Ni, Co)Al matrix follows the Kurdjumow-Sachs(K-S) orientation relation. But when the aging temperature is under 873K the Coprecipitates have a hcp crystal structure. The orientation relationship between thehcp-Co precipitates and the B2-(Ni, Co)Al matrix follows the Burgers orientation re-lation. (Ni, Co)Al is hardened appreciably by the fine precipitation of both the fcc-Coand hcp-Co phases. The temperature dependence of the yield strength of precipitate-containing B2-ordered (Ni, Co)Al was investigated by compression tests over the rangeof 298-1273K. The fine precipitation of Co phases enhances greatly the low and in-termediate temperature yield strength. When the deformation temperature was over873K, the strength of precipitate-containing (Ni, Co)Al is comparable to ternary dual-phase (Ni, Co)Al+Ni3Al alloy.

Urchin-Like Ni1/3Co2/3(CO3)1/2(OH)·0.11H2O for Ultrahigh-Rate Electrochemical Supercapacitors: Structural Evolution from Solid to Hollow.

Science.gov (United States)

Wei, Wutao; Cui, Shizhong; Ding, Luoyi; Mi, Liwei; Chen, Weihua; Hu, Xianluo

2017-11-22

Portable electronics and electric or hybrid electric vehicles are developing in the trend of fast charge and long electric mileage, which ask us to design a novel electrode with sufficient electronic and ionic transport channels at the same time. Herein, we fabricate a uniform hollow-urchin-like Ni 1/3 Co 2/3 (CO 3 ) 1/2 (OH)·0.11H 2 O electrode material through an easy self-generated and resacrificial template method. The one-dimensional chain-like crystal structure unit containing the metallic bonding and the intercalated OH - and H 2 O endow this electrode material with abundant electronic and ionic transport channels. The hollow-urchin-like structure built by nanorods contributes to the large electrode-electrolyte contact area ensuring the supply of ions at high current. CNTs are employed to transport electrons between electrode material and current collector. The as-assembled NC-CNT-2//AC supercapacitor device exhibits a high specific capacitance of 108.3 F g -1 at 20 A g -1 , a capacitance retention ratio of 96.2% from 0.2 to 20 A g -1 , and long cycle life. Comprehensive investigations unambiguously highlight that the unique hollow-urchin-like Ni 1/3 Co 2/3 (CO 3 ) 1/2 (OH)·0.11H 2 O electrode material would be the right candidate for advanced next-generation supercapacitors.

Photoactive Molecular Dyads [Ru(bpy)3-M(ttpy)2] n+ on Gold (M = Co(III), Zn(II)): Characterization, Intrawire Electron Transfer, and Photoelectric Conversion.

Science.gov (United States)

Le-Quang, Long; Farran, Rajaa; Lattach, Youssef; Bonnet, Hugues; Jamet, Hélène; Guérente, Liliane; Maisonhaute, Emmanuel; Chauvin, Jérôme

2018-04-23

We propose in this work a stepwise approach to construct photoelectrodes. This takes advantage of the self-assembly interactions between thiol with a gold surface and terpyridine ligands with first-row transition metals. Here, a [Ru(bpy) 3 ] 2+ photosensitive center bearing a free terpyridine group has been used to construct two linear dyads on gold (Au/[Zn II -Ru II ] 4+ and Au/[Co III -Ru II ] 5+ ). The stepwise construction was characterized by electrochemistry, quartz crystal microbalance, and atomic force microscopy imaging. The results show that the dyads behave as rigid layers and are inhomogeneously distributed on the surface. The surface coverages are estimated to be in the order of 10 -11 mol cm -2 . The kinetics of the heterogeneous electron transfer is determined on modified gold ball microelectrodes using Laviron's formula. The oxidation rates of the terminal Ru(II) subunits are estimated to be 700 and 2300 s -1 for Au/[Zn II -Ru II ] 4+ and Au/[Co III -Ru II ] 5+ , respectively. In the latter case, the rate is limited by the kinetics of electron transfer between an intermediate Co(II) center and the gold surface. For Au/[Zn II -Ru II ] 4+ , the Zn-bis-terpyridine center is not involved in the electron-transfer process and the oxidation of the Ru(II) subunit occurs through a superexchange process. In the presence of a tertiary amine in solution, the electrodes at a bias of 0.12 V behave as photoanodes when subjected to visible light irradiation. The magnitude of the photocurrent is around 10 μA cm -2 for Au/[Co III -Ru II ] 5+ and 5 μA cm -2 for Au/[Zn II -Ru II ] 4+ , proving the importance of an electron relay on the photon-to-current conversion. The results suggest an efficient conversion for Au/[Co III -Ru II ] 5+ , since each bound dyad, once excited, injects an electron around 10 times per second.

13CO2/12CO2 isotope ratio analysis in human breath using a 2 μm diode laser

Science.gov (United States)

Sun, Mingguo; Cao, Zhensong; Liu, Kun; Wang, Guishi; Tan, Tu; Gao, Xiaoming; Chen, Weidong; Yinbo, Huang; Ruizhong, Rao

2015-04-01

The bacterium H. pylori is believed to cause peptic ulcer. H. pylori infection in the human stomach can be diagnosed through a CO2 isotope ratio measure in exhaled breath. A laser spectrometer based on a distributed-feedback semiconductor diode laser at 2 μm is developed to measure the changes of 13CO2/12CO2 isotope ratio in exhaled breath sample with the CO2 concentration of ~4%. It is characterized by a simplified optical layout, in which a single detector and associated electronics are used to probe CO2 spectrum. A new type multi-passes cell with 12 cm long base length , 29 m optical path length in total and 280 cm3 volume is used in this work. The temperature and pressure are well controlled at 301.15 K and 6.66 kPa with fluctuation amplitude of 25 mK and 6.7 Pa, respectively. The best 13δ precision of 0.06o was achieved by using wavelet denoising and Kalman filter. The application of denoising and Kalman filter not only improved the signal to noise ratio, but also shorten the system response time.

Electronic Resources and Mission Creep: Reorganizing the Library for the Twenty-First Century

Science.gov (United States)

Stachokas, George

2009-01-01

The position of electronic resources librarian was created to serve as a specialist in the negotiation of license agreements for electronic resources, but mission creep has added more functions to the routine work of electronic resources such as cataloging, gathering information for collection development, and technical support. As electronic…

Simulation of CO2–water–rock interactions on geologic CO2 sequestration under geological conditions of China

International Nuclear Information System (INIS)

Wang, Tianye; Wang, Huaiyuan; Zhang, Fengjun; Xu, Tianfu

2013-01-01

Highlights: • We determined the feasibilities of geologic CO 2 sequestration in China. • We determined the formation of gibbsite suggested CO 2 can be captured by rocks. • We suggested the mechanisms of CO 2 –water–rock interactions. • We found the corrosion and dissolution of the rock increased as temperature rose. -- Abstract: The main purpose of this study focused on the feasibility of geologic CO 2 sequestration within the actual geological conditions of the first Carbon Capture and Storage (CCS) project in China. This study investigated CO 2 –water–rock interactions under simulated hydrothermal conditions via physicochemical analyses and scanning electron microscopy (SEM). Mass loss measurement and SEM showed that corrosion of feldspars, silica, and clay minerals increased with increasing temperature. Corrosion of sandstone samples in the CO 2 -containing fluid showed a positive correlation with temperature. During reaction at 70 °C, 85 °C, and 100 °C, gibbsite (an intermediate mineral product) formed on the sample surface. This demonstrated mineral capture of CO 2 and supported the feasibility of geologic CO 2 sequestration. Chemical analyses suggested a dissolution–reprecipitation mechanism underlying the CO 2 –water–rock interactions. The results of this study suggested that mineral dissolution, new mineral precipitation, and carbonic acid formation-dissociation are closely interrelated in CO 2 –water–rock interactions

Total cross sections for electron scattering by CO2 molecules in the energy range 400 endash 5000 eV

International Nuclear Information System (INIS)

Garcia, G.; Manero, F.

1996-01-01

Total cross sections for electron scattering by CO 2 molecules in the energy range 400 endash 5000 eV have been measured with experimental errors of ∼3%. The present results have been compared with available experimental and theoretical data. The dependence of the total cross sections on electron energy shows an asymptotic behavior with increasing energies, in agreement with the Born-Bethe approximation. In addition, an analytical formula is provided to extrapolate total cross sections to higher energies. copyright 1996 The American Physical Society

Multiple-electron removal and molecular fragmentation of CO by fast F4+ impact

International Nuclear Information System (INIS)

Ben-Itzhak, I.; Ginther, S.G.; Carnes, K.D.

1993-01-01

Multiple-electron removal from and molecular fragmentation of carbon monoxide molecules caused by collisions with 1-MeV/amu F 4+ ions were studied using the coincidence time-of-flight technique. In these collisions, multiple-electron removal of the target molecule is a dominant process. Cross sections for the different levels of ionization of the CO molecule during the collision were determined. The relative cross sections of ionization decrease with increasing number of electrons removed in a similar way as seen in atomic targets. This behavior is in agreement with a two-step mechanism, where first the molecule is ionized by a Franck-Condon ionization and then the molecular ion dissociates. Most of the highly charged intermediate states of the molecule dissociate rapidly. Only CO + and CO 2+ molecular ions have been seen to survive long enough to be detected as molecular ions. The relative cross sections for the different breakup channels were evaluated for collisions in which the molecule broke into two charged fragments as well as for collisions where only a single charged molecular ion or fragment were produced. The average charge state of each fragment resulting from CO Q+ →C i+ +O j+ breakup increases with the number of electrons removed from the molecule approximately following the relationship bar i=bar j=Q/2 as long as K-shell electrons are not removed. This does not mean that the charge-state distribution is exactly symmetric, as, in general, removing electrons from the carbon fragment is slightly more likely than removing electrons from the oxygen due to the difference in binding energy. The cross sections for molecular breakup into a charged fragment and a neutral fragment drop rapidly with an increasing number of electrons removed

Structural stability of ternary C22–Zr6X2Co (X=Al, Ga, Sn, As, Sb, Bi, Te) and C22–Zr6Sn2T′ (T′=Fe, Co, Ni, Cu) compounds

International Nuclear Information System (INIS)

Colinet, Catherine; Crivello, Jean-Claude; Tedenac, Jean-Claude

2013-01-01

The crystal and electronic structures, and the thermodynamic properties of Zr 6 X 2 Co (X=Al, Ga, Sn, As, Sb, Bi, Te) and Zr 6 Sn 2 T′ (T′=Fe, Co, Ni, Cu) ternary compounds in the Fe 2 P-type structure have been investigated by means of first principle calculations. The calculated structural parameters are in good agreement with the experimental data. The total electronic densities of states as well as the Bader charges of the atoms have been computed. Both electronic and size effects allow to explain the stability of the ternary Zr 6 X 2 Co (X=Al, Ga, Sn, As, Sb, Bi, Te) and Zr 6 Sn 2 T′ (T′=Fe, Co, Ni, Cu) compounds. - Graphical abstract: Valence charge electronic localization function (ELF) calculated for Zr 6 Sb 2 Co compound. Display Omitted - Highlights: • Structural stability of Zr 6 X 2 T′ compounds (X: p element, T′: late transition metal) in the Fe 2 P-type structure. • First principles calculation of lattice parameters and enthalpies of formation. • Electronic densities of state in the series Zr 6 Sn 2 T′ (T′=Fe, Co, Ni, Cu). • Electronic densities of state in the series Zr 6 X 2 Co (X=Al, Ga, Sn, As, Sb, Bi, Te)

Synchronisation of electron-beam controlled CO2 lasers with a plasma mirror

International Nuclear Information System (INIS)

Basov, N.G.; Boiko, V.A.; Danilychev, V.A.; Zvorykin, V.D.; Lobanov, A.N.; Kholin, I.V.; Chugunov, A.Y.

1979-03-01

A new approach to the development of laser systems for spherically symmetrical compression of thermonuclear targets which essentially involves using a plasma formed by the action of laser radiation on the surface of a target as a common mirror for high-power electron-beam-controlled CO 2 lasers distributed uniformly around a sphere has been proposed. The achievement of the required time-synchronised operation of several lasers to obtain symmetrical irradiation is discussed here. It is found that the lasers cannot be synchronised accurately by stabilising only the electrical parameters of the systems. Even if the laser pumping systems are switched on strictly simultaneously, small random fluctuations in the pumping level, active mixture composition, optical Q factor of the resonators and other parameters give rise to an appreciable scatter in the output pulse evolution times. Methods for precise synchronisation based on introducing optical coupling between the laser resonators are proposed. (UK)

Crystallographic and Electronic Structure of the Sr3Sb2CoO9 Triple Perovskite

International Nuclear Information System (INIS)

González, W; Téllez, D A Landínez; Roa-Rojas, J; Cardona, R

2014-01-01

Compounds The perovskites are materials with physical and chemical characteristics that make them optimal for application in the technological and scientist. When the ideal formula of perovskite ABO 3 is modified by introducing a special structural arrangement can get to get triple perovskites, which correspond to the formula A 3 B 2 B'O 9 . In this work we report the synthesis process and the study of electronic structure and crystal Sr 3 Sb 2 CoO 9 new triple perovskite. From the experiments of X-ray Diffraction and the application of the Rietveld refinement method was revealed that the system crystallizes in a perovskite structure with a characteristic triple given by the space group Immm (#71) and lattice parameters a=9.791(9) Å, b=5.656(7) Å and c=16.957(8) Å. Ab initio calculations of density of states (DOS) and electronic structure were carried out for this perovskite-like system by using the Quantum EXPRESSO code. The exchange-correlation potential was treated using the Generalized Gradient Approximation (GGA). All calculations were carried-out using spin polarization.

Study and characterization of the hexa ferrite Ba2Co2Fe12O22 (Co2-Y)

International Nuclear Information System (INIS)

Pires Junior, G.F.M.; Rodrigues, H.O.; Sales, J.C; Sancho, E.O.; Sombra, A.S.B.

2009-01-01

The objective of this work is to synthesize and to characterize the Hexaferrita Ba2Co 2 Fe 12 O 22 (Co 2 Y). The Y-type Hexaferrita (Co 2 Y) was prepared by the ceramic conventional method. The mixed powder by 1 h was calcined at 1050 deg C for 3 h. After of the calcination the powders were characterized by scanning electron microscopy (SEM) and X-ray diffraction (XRD) using a diffractometer DMAXB of the Rigaku (Japan), CuK α radiation (λ=1.5405 angstrom) in a tax of 0.5 deg /min and linear band (20 deg at 80 deg) in 2θ. The characterization more detailed by XRD was made using the DBWS9807a program that uses the method of Rietveld for refinement of crystalline structures and confirmed the isolated attainment of the phase (Co 2 Y) with hexagonal crystalline structure (a = b = 5,8560 angstrom and c = 43,4977 angstrom; α = β = 90 deg and γ = 120 deg) with density and volume of the unit cell calculated of 5.45 g/cm 3 and 1292,3 angstrom respectively. (author)

Electrochemical reactivity of Co-Li2S nanocomposite for lithium-ion batteries

International Nuclear Information System (INIS)

Zhou, Yongning; Wu, Changliang; Zhang, Hua; Wu, Xiaojing; Fu, Zhengwen

2007-01-01

The fabrication of Co-Li 2 S nanocomposite thin film is reported by pulsed laser deposition (PLD) for the first time. Li 2 S-Co nanocomposite thin film is used as storing Li electrodes that have led to promising electrochemical activity and good electrochemical performance. The releasing Li process from the as-deposited Li 2 S-Co nanocomposite thin films is confirmed by the ex situ high resolution transmission electron microscopy (HR-TEM) and selected area electron diffraction (SAED) measurements and may come from the decomposition of Li 2 S with and without the interaction of metal Co into CoS 2 and S. The electrochemical reaction mechanism of Co-Li 2 S nanocomposite film electrode involving both the formation and decomposition of Li 2 S and the lithium extraction/insertion of CoS 2 after the initial charging process is proposed. Our results demonstrate the advantages of using Co-Li 2 S nanocomposite in storage lithium materials

Electronic Resources Management System: Recommendation Report 2017

KAUST Repository

Ramli, Rindra M.

2017-01-01

This recommendation report provides an overview of the selection process for the new Electronic Resources Management System. The library has decided to move away from Innovative Interfaces Millennium ERM module. The library reviewed 3 system

Microstructure of buried CoSi2 layers formed by high-dose Co implantation into (100) and (111) Si substrates

International Nuclear Information System (INIS)

Bulle-Lieuwma, C.W.T.; Van Ommen, A.H.; Vandenhoudt, D.E.W.; Ottenheim, J.J.M.; de Jong, A.F.

1991-01-01

Heteroepitaxial Si/CoSi 2 /Si structures have been synthesized by implanting 170-keV Co + with doses in the range 1--3x10 17 Co + ions/cm 2 into (100) and (111) Si substrates and subsequent annealing. The microstructure of both the as-implanted and annealed structures is investigated in great detail by transmission electron microscopy, high-resolution electron microscopy, and x-ray diffraction. In the as-implanted samples, the Co is present as CoSi 2 precipitates, occurring both in aligned (A-type) and twinned (B-type) orientation. For the highest dose, a continuous layer of stoichiometric CoSi 2 is already formed during implantation. It is found that the formation of a connected layer, already during implantation, is crucial for the formation of a buried CoSi 2 layer upon subsequent annealing. Particular attention is given to the coordination of the interfacial Co atoms at the Si/CoSi 2 (111) interfaces of both types of precipitates. We find that the interfacial Co atoms at the A-type interfaces are fully sevenfold coordinated, whereas at the B-type interfaces they appear to be eightfold coordinated

Coloring problem and magnetocaloric effect of Gd{sub 3}Co{sub 2.2}Si{sub 1.8}

Energy Technology Data Exchange (ETDEWEB)

Yao, Jinlei, E-mail: materyao@gmail.com [Research Center for Solid State Physics and Materials, School of Mathematics and Physics, Suzhou University of Science and Technology, Suzhou 215009 (China); Department of Chemistry and Chemical Biology, McMaster University, 1280 Main Street West, Hamilton, Ontario, Canada L8S 4M1 (Canada); Morozkin, A.V. [Department of Chemistry, Moscow State University, Leninskie Gory, House 1, Building 3, GSP-2, Moscow 119992 (Russian Federation); Mozharivskyj, Yurij [Department of Chemistry and Chemical Biology, McMaster University, 1280 Main Street West, Hamilton, Ontario, Canada L8S 4M1 (Canada)

2013-02-15

Highlights: Black-Right-Pointing-Pointer Gd{sub 3}Co{sub 2.2}Si{sub 1.8} adopts the Er{sub 3}Ge{sub 4} structure (space group Cmcm). Black-Right-Pointing-Pointer Si and Co show site preference. Black-Right-Pointing-Pointer The electronic factors determine the site occupation of Si and Co. Black-Right-Pointing-Pointer Gd{sub 3}Co{sub 2.2}Si{sub 1.8} order ferromagnetically below 172 K. - Abstract: The Gd{sub 3}Co{sub 2.2}Si{sub 1.8} compound was synthesized by arc melting the constituent elements and subsequent annealing at 1070 K for 120 h. It adopts the Dy{sub 3}Co{sub 2.2}Si{sub 1.8}-type structure with the space group Cmcm and the unit cell parameters of a = 4.1176(7) A, b = 10.305(2) A, c = 12.778(2) A and V = 542.2(2) A{sup 3}. The Co and Si atoms preferentially occupy the 8f and 4a/4c sites, respectively. The atomic electronegativity and electron density at a given site determine its site occupation, according to the analysis of the electronic structure. Gd{sub 3}Co{sub 2.2}Si{sub 1.8} orders ferromagnetically with the Curie temperature of 172 K. The isothermal magnetic entropy change, -{Delta}S{sub m}, reaches the maximum value of 7.09 J/kg K at 170 K for a field change of 0-50 kOe.

Local 3d Electronic Structures of Co-Based Complexes with Medicinal Molecules Probed by Soft X-ray Absorption

Science.gov (United States)

Yamagami, Kohei; Fujiwara, Hidenori; Imada, Shin; Kadono, Toshiharu; Yamanaka, Keisuke; Muro, Takayuki; Tanaka, Arata; Itai, Takuma; Yoshinari, Nobuto; Konno, Takumi; Sekiyama, Akira

2017-07-01

We have examined the local 3d electronic structures of Co-Au multinuclear complexes with the medicinal molecules d-penicillaminate (d-pen) [Co{Au(PPh3)(d-pen)}2]ClO4 and [Co3{Au3(tdme)(d-pen)3}2] by Co L2,3-edge soft X-ray absorption (XAS) spectroscopy, where PPh3 denotes triphenylphosphine and tdme stands for 1,1,1-tris[(diphenylphosphino)methyl]ethane. The Co L2,3-edge XAS spectra indicate the localized ionic 3d electronic states in both materials. The experimental spectra are well explained by spectral simulation for a localized Co ion under ligand fields with the full multiplet theory, which verifies that the ions are in the low-spin Co3+ state in the former compound and in the high-spin Co2+ state in the latter.

Ab initio studies on electronic and magnetic properties of X2PtGa (X=Cr, Mn, Fe, Co) Heusler alloys

International Nuclear Information System (INIS)

Roy, Tufan; Chakrabarti, Aparna

2017-01-01

Using first-principles calculations based on density functional theory, we probe the electronic and magnetic properties of X 2 PtGa (X being Cr, Mn, Fe, Co) Heusler alloys. Our calculations predict that all these systems possess inverse Heusler alloy structure in the respective ground states. Application of tetragonal distortion leads to lowering of energy with respect to their cubic phase. The equilibrium volumes of both the phases are nearly the same. These indicate that the materials studied here are prone to undergo martensite transition, as has been recently shown theoretically for Mn 2 PtGa in the literature. Ground state with a tetragonal symmetry is corroborated by the observation of soft tetragonal shear constants in the cubic phase. By comparing the energies of various types of magnetic configurations we predict that Cr 2 PtGa and Mn 2 PtGa possess ferrimagnetic configuration whereas Fe 2 PtGa and Co 2 PtGa possess ferromagnetic configuration in their respective ground states. - Highlights: • We predict stable martensitic phase of X 2 PtGa (X=Cr, Mn, Fe, Co). • Co 2 PtGa possesses least inherent brittleness among all the materials. • Martensite transitions are possible for the investigated materials. • A tetragonal ground state with high spin polarization is predicted for Co 2 PtGa.

In-Situ Hydrothermal Synthesis of Bi-Bi2O2CO3 Heterojunction Photocatalyst with Enhanced Visible Light Photocatalytic Activity

Science.gov (United States)

Kar, Prasenjit; Maji, Tuhin Kumar; Nandi, Ramesh; Lemmens, Peter; Pal, Samir Kumar

2017-04-01

Bismuth containing nanomaterials recently received increasing attention with respect to environmental applications because of their low cost, high stability and nontoxicity. In this work, Bi-Bi2O2CO3 heterojunctions were fabricated by in-situ decoration of Bi nanoparticles on Bi2O2CO3 nanosheets via a simple hydrothermal synthesis approach. X-ray diffraction (XRD), scanning electron microscopy (SEM), transmission electron microscopy (TEM) and high-resolution TEM (HRTEM) were used to confirm the morphology of the nanosheet-like heterostructure of the Bi-Bi2O2CO3 composite. Detailed ultrafast electronic spectroscopy reveals that the in-situ decoration of Bi nanoparticles on Bi2O2CO3 nanosheets exhibit a dramatically enhanced electron-hole pair separation rate, which results in an extraordinarily high photocatalytic activity for the degradation of a model organic dye, methylene blue (MB) under visible light illumination. Cycling experiments revealed a good photochemical stability of the Bi-Bi2O2CO3 heterojunction under repeated irradiation. Photocurrent measurements further indicated that the heterojunction incredibly enhanced the charge generation and suppressed the charge recombination of photogenerated electron-hole pairs.

Hard-X-ray photoelectron spectroscopy of NaxCoO2.yH2O

International Nuclear Information System (INIS)

Chainani, A.; Yokoya, T.; Takata, Y.; Tamasaku, K.; Taguchi, M.; Shimojima, T.; Kamakura, N.; Horiba, K.; Tsuda, S.; Shin, S.; Miwa, D.; Nishino, Y.; Ishikawa, T.; Yabashi, M.; Kobayashi, K.; Namatame, H.; Taniguchi, M.; Takada, K.; Sasaki, T.; Sakurai, H.; Takayama-Muromachi, E.

2005-01-01

We study the bulk electronic structure of Na x CoO 2 .yH 2 O using Hard X-ray (HX, hν = 5.95KeV) synchrotron photoelectron spectroscopy (PES). The Co 2p core level spectra show well-separated Co 3+ and Co 4+ ions. Cluster calculations suggest low spin Co 3+ and Co 4+ character, and a moderate on-site Coulomb correlation energy U dd ∼3-5.5eV. Photon-dependent valence band PES identifies Co 3d and O 2p derived states, in near agreement with band structure calculations. We discuss the importance of HX-PES for studying correlated transition metal oxides

The physical chemistry of coordinated aqua-, ammine-, and mixed-ligand Co2+ complexes: DFT studies on the structure, energetics, and topological properties of the electron density.

Science.gov (United States)

Varadwaj, Pradeep R; Marques, Helder M

2010-03-07

Spin-unrestricted DFT-X3LYP/6-311++G(d,p) calculations have been performed on a series of complexes of the form [Co(H(2)O)(6-n)(NH(3))(n)](2+) (n = 0-6) to examine their equilibrium gas-phase structures, energetics, and electronic properties in their quartet electronic ground states. In all cases Co(2+) in the energy-minimised structures is in a pseudo-octahedral environment. The calculations overestimate the Co-O and Co-N bond lengths by 0.04 and 0.08 A, respectively, compared to the crystallographically observed mean values. There is a very small Jahn-Teller distortion in the structure of [Co(H(2)O)(6)](2+) which is in contrast to the very marked distortions observed in most (but not all) structures of this cation that have been observed experimentally. The successive replacement of ligated H(2)O by NH(3) leads to an increase in complex stability by 6 +/- 1 kcal mol(-1) per additional NH(3) ligand. Calculations using UB3LYP give stabilisation energies of the complexes about 5 kcal mol(-1) smaller and metal-ligand bond lengths about 0.005 A longer than the X3LYP values since the X3LYP level accounts for the London dispersion energy contribution to the overall stabilisation energy whilst it is largely missing at the B3LYP level. From a natural population analysis (NPA) it is shown that the formation of these complexes is accompanied by ligand-to-metal charge transfer the extent of which increases with the number of NH(3) ligands in the coordination sphere of Co(2+). From an examination of the topological properties of the electron charge density using Bader's quantum theory of atoms in molecules it is shown that the electron density rho(c) at the Co-O bond critical points is generally smaller than that at the Co-N bond critical points. Hence Co-O bonds are weaker than Co-N bonds in these complexes and the stability increases as NH(3) replaces H(2)O in the metal's coordination sphere. Several indicators, including the sign and magnitude of the Laplacian of the

A Biomimetic Nickel Complex with a Reduced CO2 Ligand Generated by Formate Deprotonation and its Behaviour towards CO2.

Science.gov (United States)

Limberg, Christian; Zimmermann, Philipp; Hoof, Santina; Braun-Cula, Beatrice; Herwig, Christian

2018-04-10

Reduced CO2 species are key intermediates in a variety of natural and synthetic processes. In the majority of systems, however, they elude isolation or characterisation due to high reactivity or limited accessibility (heterogeneous systems) and thus formulations often remain uncertain or based on calculations only. We herein report on a Ni-CO22- complex that is unique in many ways. While its structural and electronic features help understanding the CO2 bound state in Ni,Fe carbon monoxide dehydrogenases, its reactivity sheds light on how CO2 can be converted into CO/CO32- by nickel complexes. In addition, the complex has been generated via a rare example of formate β deprotonation, a mechanistical step relevant to nickel catalysed conversion of HxCOyz- at electrodes and formate oxidation in formate dehydrogenases. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Negligible Electronic Interaction between Photoexcited Electron-Hole Pairs and Free Electrons in Phosphorus-Boron Co-Doped Silicon Nanocrystals

Energy Technology Data Exchange (ETDEWEB)

Limpens, Rens [National Renewable Energy Laboratory (NREL), Golden, CO (United States); Neale, Nathan R [National Renewable Energy Laboratory (NREL), Golden, CO (United States); Fujii, Minoru [Kobe University; Gregorkiewicz, Tom [University of Amsterdam

2018-03-05

Phosphorus (P) and boron (B) co-doped Si nanocrystals (NCs) have raised interest in the optoelectronic industry due to their electronic tunability, optimal carrier multiplication properties, and straightforward dispersibility in polar solvents. Yet a basic understanding of the interaction of photoexcited electron-hole (e-h) pairs with new physical features that are introduced by the co-doping process (free carriers, defect states, and surface chemistry) is missing. Here, we present the first study of the ultrafast carrier dynamics in SiO2-embedded P-B co-doped Si NC ensembles using induced absorption spectroscopy through a two-step approach. First, the induced absorption data show that the large fraction of the dopants residing on the NC surface slows down carrier relaxation dynamics within the first 20 ps relative to intrinsic (undoped) Si NCs, which we interpret as enhanced surface passivation. On longer time-scales (picosecond to nanosecond regime), we observe a speeding up of the carrier relaxation dynamics and ascribe it to doping-induced trap states. This argument is deduced from the second part of the study, where we investigate multiexciton interactions. From a stochastic modeling approach we show that localized carriers, which are introduced by the P or B dopants, have minor electronic interactions with the photoexcited e-h pairs. This is understood in light of the strong localization of the introduced carriers on their original P- or B-dopant atoms, due to the strong quantum confinement regime in these relatively small NCs (<6 nm).

Comparative Study of Electronic Structure and Magnetic Properties of Osmate Double Perovskites: Ca2FeOsO6 versus Ca2Co(Ni)OsO6

Science.gov (United States)

Samanta, Kartik; Saha-Dasgupta, Tanusri

2018-04-01

Employing density functional theory, we study the trend in the electronic and magnetic properties of 3d-5d double perovskites, upon varying the 3d element for a fixed choice of 5d element, namely Ca2BOsO6 (B = Fe/Co/Ni). While all three compounds are reported to be ferrimagnets, the magnetic transition temperature of Ca2FeOsO6 is reported to be 2-2.4 times larger than that of Ca2CoOsO6 or Ca2NiOsO6. Our first-principles study provides microscopic insight into this trend. This trend is found to be caused by the downward shift in the position of d level energies of the B site element with respect to that of the Os t2g level upon moving across the 3d series from Fe to Co and Ni. This in turn changes the nominal valence of the Os ion from 5+ in Ca2FeOsO6 to 6+ in Ca2CoOsO6 and Ca2NiOsO6, resulting in differing superexchange paths between Ca2FeOsO6 and Ca2Co(Ni)OsO6, and additionally enabling the hybridization-mechanism-driven magnetism in Ca2FeOsO6. These together significantly enhance the magnetic transition temperature in Ca2FeOsO6 compared with that in Ca2Co(Ni)OsO6.

Adsorption behavior of Co anchored on graphene sheets toward NO, SO{sub 2}, NH{sub 3}, CO and HCN molecules

Energy Technology Data Exchange (ETDEWEB)

Tang, Yanan, E-mail: yntang2010@hotmail.com [College of Physics and Electronic Engineering, Zhengzhou Normal University, Zhengzhou, Henan 450044 (China); Quantum Materials Research Center, Zhengzhou Normal University, Henan 450044 (China); Chen, Weiguang; Li, Chenggang; Pan, Lijun [College of Physics and Electronic Engineering, Zhengzhou Normal University, Zhengzhou, Henan 450044 (China); Quantum Materials Research Center, Zhengzhou Normal University, Henan 450044 (China); Dai, Xianqi, E-mail: xqdai@henannu.edu.cn [College of Physics and Electronic Engineering, Zhengzhou Normal University, Zhengzhou, Henan 450044 (China); Quantum Materials Research Center, Zhengzhou Normal University, Henan 450044 (China); Ma, Dongwei [College of Physics and Electrical Engineering, Anyang Normal University, Anyang, Henan 455000 (China)

2015-07-01

Graphical abstract: - Highlights: • In contrast to the pristine graphene, a vacancy defect in graphene strongly stabilizes the Co atom. • The positively charged of Co atom on graphene can regulate the stability of gas molecules. • Different gas molecules can modulate the electronic structure of Co–graphene systems. • The adsorbed NO on Co–graphene can effectively regulate the magnetic properties of systems. - Abstract: Based on the first-principles of density-functional theory (DFT), the effects of gas adsorption on the change in geometric stability, electronic structure and magnetic properties of graphene with anchored Co (Co–graphene) systems were investigated. A single Co adatom interacts much weaker with pristine graphene (Co/pri–graphene) than with the graphene containing a single vacancy (Co/SV–graphene). The Co dopant provides more electrons to the dangling bonds of carbon atom at defective site and exhibits more positive charges, which makes Co/SV–graphene less prone to be adsorbed by gas molecules in comparison to Co/pri–graphene. It is found that the electronic structure and magnetic properties of Co–graphene systems can be modulated by adsorbing gas molecules. Except the NH{sub 3} molecule, the adsorbed NO, SO{sub 2}, CO or HCN as electron acceptors on the Co/pri–graphene can exhibit semiconducting properties. Among the gas molecules, the strong adsorption of NO molecule can effectively regulate the magnetic properties of Co–graphene systems. Moreover, the stable configuration of Co/SV–graphene is more likely to be the gas sensor for detecting NO and SO{sub 2}. The results validate that the reactivity of atomic-scale catalyst is supported on graphene sheets, which is expected to be potentially efficient in the gas sensors and electronic device.

Growth and control of invasive weeds under elevated CO2

Science.gov (United States)

Atmospheric concentrations of CO2 have been increasing since the onset of the industrial revolution. Regardless of the debate on the effects of this rise on climate, most plants exhibit a positive growth response to elevated CO2 due to increased photosynthesis, resource use efficiency, and/or alloca...

Isotope effect in the photochemical decomposition of CO{sub 2} (ice) by Lyman-{alpha} radiation

Energy Technology Data Exchange (ETDEWEB)

Yuan Chunqing; Yates, John T. Jr. [Department of Chemistry, University of Virginia, Charlottesville, Virginia 22904 (United States)

2013-04-21

The photochemical decomposition of CO{sub 2}(ice) at 75 K by Lyman-{alpha} radiation (10.2 eV) has been studied using transmission infrared spectroscopy. An isotope effect in the decomposition of the CO{sub 2} molecule in the ice has been discovered, favoring {sup 12}CO{sub 2} photodecomposition over {sup 13}CO{sub 2} by about 10%. The effect is caused by electronic energy transfer from the excited CO{sub 2} molecule to the ice matrix, which favors quenching of the heavier electronically-excited {sup 13}CO{sub 2} molecule over {sup 12}CO{sub 2}. The effect is similar to the Menzel-Gomer-Redhead isotope effect in desorption from adsorbed molecules on surfaces when electronically excited. An enhancement of the rate of formation of lattice-trapped CO and CO{sub 3} species is observed for the photolysis of the {sup 12}CO{sub 2} molecule compared to the {sup 13}CO{sub 2} molecule in the ice. Only 0.5% of the primary photoexcitation results in O-CO bond dissociation to produce trapped-CO and trapped-CO{sub 3} product molecules and the majority of the electronically-excited CO{sub 2} molecules return to the ground state. Here either vibrational relaxation occurs (majority process) or desorption of CO{sub 2} occurs (minority process) from highly vibrationally-excited CO{sub 2} molecules in the ice. The observation of the {sup 12}C/{sup 13}C isotope effect in the Lyman-{alpha} induced photodecomposition of CO{sub 2} (ice) suggests that over astronomical time scales the isotope enrichment effect may distort historical information derived from isotope ratios in space wherever photochemistry can occur.

The structural, electronic, magnetic, and mechanical properties of perovskite oxides PbM1/2Nb1/2O3 (M = Fe, Co and Ni)

Science.gov (United States)

Erkisi, A.; Surucu, G.; Deligoz, E.

2018-03-01

In this study, the structural, electronic, magnetic, and mechanical properties of perovskite oxides PbM1/2Nb1/2O3 (M = Fe, Co and Ni) are investigated. The systems are treated in ferromagnetic order. The calculations are carried out in the framework of density functional theory (DFT) within the plane-wave pseudopotential method. The exchange-correlation potential is approximated by generalized-gradient spin approach (GGA). The intra-atomic Coulomb repulsion is also taken into account in calculations (GGA + U). We have considered two generalized-gradient spin approximation functionals, which are Perdew-Burke-Ernzerhof (PBE) and PBE for solids (PBEsol) for structural parameter calculations when it included Hubbard potential. Although the spin-polarized electronic band structures of PbCo1/2Nb1/2O3 and PbNi1/2Nb1/2O3 systems exhibit metallic property in ferromagnetic phase, a bandgap is observed in spin-down states of PbFe1/2Nb1/2O3 resulting in half-metallic behavior. The main reason for this behavior is attributed to the hybridization between d-states of transition metal atoms and p-states of oxygen atoms. The stability mechanically and the calculated mechanical properties by using elastic constants show that these compounds are mechanically stable in tetragonal phase and have anisotropic character mechanically.

The Internet School of Medicine: use of electronic resources by medical trainees and the reliability of those resources.

Science.gov (United States)

Egle, Jonathan P; Smeenge, David M; Kassem, Kamal M; Mittal, Vijay K

2015-01-01

Electronic sources of medical information are plentiful, and numerous studies have demonstrated the use of the Internet by patients and the variable reliability of these sources. Studies have investigated neither the use of web-based resources by residents, nor the reliability of the information available on these websites. A web-based survey was distributed to surgical residents in Michigan and third- and fourth-year medical students at an American allopathic and osteopathic medical school and a Caribbean allopathic school regarding their preferred sources of medical information in various situations. A set of 254 queries simulating those faced by medical trainees on rounds, on a written examination, or during patient care was developed. The top 5 electronic resources cited by the trainees were evaluated for their ability to answer these questions accurately, using standard textbooks as the point of reference. The respondents reported a wide variety of overall preferred resources. Most of the 73 responding medical trainees favored textbooks or board review books for prolonged studying, but electronic resources are frequently used for quick studying, clinical decision-making questions, and medication queries. The most commonly used electronic resources were UpToDate, Google, Medscape, Wikipedia, and Epocrates. UpToDate and Epocrates had the highest percentage of correct answers (47%) and Wikipedia had the lowest (26%). Epocrates also had the highest percentage of wrong answers (30%), whereas Google had the lowest percentage (18%). All resources had a significant number of questions that they were unable to answer. Though hardcopy books have not been completely replaced by electronic resources, more than half of medical students and nearly half of residents prefer web-based sources of information. For quick questions and studying, both groups prefer Internet sources. However, the most commonly used electronic resources fail to answer clinical queries more than half

Flexible Asymmetric Threadlike Supercapacitors Based on NiCo2 Se4 Nanosheet and NiCo2 O4 /Polypyrrole Electrodes.

Science.gov (United States)

Wang, Qiufan; Ma, Yun; Wu, Yunlong; Zhang, Daohong; Miao, Menghe

2017-04-10

Flexible threadlike supercapacitors with improved performance are needed for many wearable electronics applications. Here, we report a high performance flexible asymmetric all-solid-state threadlike supercapacitor with a NiCo 2 Se 4 positive electrode and a NiCo 2 O 4 @PPy (PPy: polypyrrole) negative electrode. The as-prepared electrodes display outstanding volume specific capacitance (14.2 F cm -3 ) and excellent cycling performance (94 % retention after 5000 cycles at 0.6 mA) owing to their nanosheet and nanosphere structures. The asymmetric all-solid-state threadlike supercapacitor expanded the stability voltage window from 0-1.0 V to 0-1.7 V and exhibits high volume energy density (5.18 mWh cm -3 ) and superior flexibility under different bending conditions. This study provides a scalable method for fabricating high performance flexible supercapacitors from easily available materials for use in wearable and portable electronics. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Electron drift velocities of Ar-CO2-CF4 gas mixtures

International Nuclear Information System (INIS)

Markeloff, R.

1994-11-01

The muon spectrometer for the D0 experiment at Fermi National Accelerator Laboratory uses proportional drift tubes filled with an Ar-CO 2 -CF 4 gas mixture. Measurements of drift velocity as a function of electric field magnitude for 90%-5%-5% and 90%-4%-6% Ar-CO 2 -CF 4 mixtures are presented, and our operational experiences with these gases at D0 is discussed

Well-crystallized ZnCo{sub 2}O{sub 4} nanosheets as a new-style support of Au catalyst for high efficient CO preferential oxidation in H{sub 2} stream under visible light irradiation

Energy Technology Data Exchange (ETDEWEB)

Yang, Kai [Research Institute of Photocatalysis, State Key Laboratory of Photocatalysis on Energy and Environment, Fuzhou University, Fuzhou 350002 (China); School of Metallurgy and Chemical Engineering, Jiangxi University of Science and Technology, Ganzhou 341000, Jiangxi (China); Zhang, Yujuan; Meng, Chao [Research Institute of Photocatalysis, State Key Laboratory of Photocatalysis on Energy and Environment, Fuzhou University, Fuzhou 350002 (China); Cao, FangFang [School of Metallurgy and Chemical Engineering, Jiangxi University of Science and Technology, Ganzhou 341000, Jiangxi (China); State Key Laboratory of Advanced Technology for Float Glass Technology, Bengbu 233000 (China); Chen, Xun; Fu, Xianzhi [Research Institute of Photocatalysis, State Key Laboratory of Photocatalysis on Energy and Environment, Fuzhou University, Fuzhou 350002 (China); Dai, Wenxin, E-mail: daiwenxin@fzu.edu.cn [Research Institute of Photocatalysis, State Key Laboratory of Photocatalysis on Energy and Environment, Fuzhou University, Fuzhou 350002 (China); Yu, Changlin, E-mail: yuchanglinjx@163.com [School of Metallurgy and Chemical Engineering, Jiangxi University of Science and Technology, Ganzhou 341000, Jiangxi (China)

2017-01-01

Highlights: • Spinel ZnCo{sub 2}O{sub 4} nanosheets were fabricated by a facile template-free wet chemical method. • ZnCo{sub 2}O{sub 4} nanosheet supported Au catalyst exhibited a good stability for oxidizing CO. • Visible light could promote the adsorption and activation of CO and O{sub 2} on Au/ZnCo{sub 2}O{sub 4}. • A efficient charge transfer occurred on the interface of Au and ZnCo{sub 2}O{sub 4}. - Abstract: A kind of high dispersed gold catalyst supported on the spinel ZnCo{sub 2}O{sub 4} nanosheets was readily fabricated by a facile template-free wet chemical method for CO oxidation in H{sub 2}-rich streams at room temperature under visible light irradiation or not, which was found to be a high performance catalyst. As verified by X-ray powder diffractometry (XRD), Raman spectra, N{sub 2} adsorption–desorption, scanning electron microscopy (SEM), transmission electron microscopy (TEM), diffuse reflectance spectroscopy (DRS), X-ray photoelectron spectroscope (XPS), photoelectrochemical measurement and photoluminescence (PL) spectra results, the contribution of high crystallinity, the enhanced mass and charge transport, the longer lifetime of surface electrons as well as the optical absorbance properties on Au/ZnCo{sub 2}O{sub 4} enabled the superior CO preferential oxidation. Notably, electron paramagnetic resonance (EPR) and CO chemisorption (TPD-MS) results indicate that visible light could promote the adsorption and activation of both CO and O{sub 2} at Au/ZnCo{sub 2}O{sub 4} due to both the photo-response of Au nanoparticles and the photo-excitation of ZnCo{sub 2}O{sub 4} band gap under visible light irradiation. This study indicates that Au/ZnCo{sub 2}O{sub 4} may be highly desirable for a promising photo-assisted Au catalyst.

Chemical and Molecular Descriptors for the Reactivity of Amines with CO{sub 2}

Energy Technology Data Exchange (ETDEWEB)

Lee, Anita S.; Kitchin, John R.

2012-10-24

Amine-based solvents are likely to play an important role in CO{sub 2} capture applications in the future, and the identification of amines with superior performance will facilitate their use in CO{sub 2} capture. While some improvements in performance will be achieved through process modifications, modifying the CO{sub 2} capture performance of an amine also implies in part an ability to modify the reactions between the amine and CO{sub 2} through development of new functionalized amines. We present a computational study of trends in the reactions between CO{sub 2} and functionalized amines with a focus on identifying molecular descriptors that determine trends in reactivity. We examine the formation of bicarbonate and carbamate species on three classes of functionalized amines: alkylamines, alkanolamines, and fluorinated alkylamines including primary, secondary and tertiary amines in each class. These functional groups span electron-withdrawing to donating behavior, hydrogen-bonding, extent of functionalization, and proximity effects of the functional groups. Electron withdrawing groups tend to destabilize CO{sub 2} reaction products, whereas electron-donating groups tend to stabilize CO{sub 2} reaction products. Hydrogen bonding stabilizes CO{sub 2} reaction products. Electronic structure descriptors based on electronegativity were found to describe trends in the bicarbonate formation energy. A chemical correlation was observed between the carbamate formation energy and the carbamic acid formation energy. The local softness on the reacting N in the amine was found to partially explain trends carbamic acid formation energy.

Photonic, and photocatalytic behavior of TiO{sub 2} mediated by Fe, CO, Ni, N doping and co-doping

Energy Technology Data Exchange (ETDEWEB)

Wang, Jia [College of Materials Science and Engineering, Taiyuan University of Technology, Taiyuan (China); Zhao, Y.F. [Institute of Coordination Bond Metrology and Engineering, School of Materials Science and Engineering, China Jiliang University, Hangzhou 310018 (China); Wang, T., E-mail: twang@zju.edu.cn [College of Electrical Engineering, Zhejiang University (China); Li, H., E-mail: Lihui02@tyut.edu.cn [College of Materials Science and Engineering, Taiyuan University of Technology, Taiyuan (China); Li, C., E-mail: canli1983@gmail.com [Institute of Coordination Bond Metrology and Engineering, School of Materials Science and Engineering, China Jiliang University, Hangzhou 310018 (China)

2015-12-01

Fe, Co, Ni, or N addition could modulate the photonic and catalytic responses of TiO{sub 2} for photocatalysts applications. Their morphologies, structures, compositions and photocatalytic performance in the degradation of methylene blue were characterized by scanning electron microscopy, X-ray diffraction, UV–vis absorption spectroscopy, Raman spectra and X-ray photoelectron spectroscopy. The results showed that dopants affect the electronic transition energies by changing the optical band gap and the impurity absorption peaks of the specimens. Especially, co-doping enhances the visible-light photocatalytic activity of TiO{sub 2} by 4–10 times that of pure TiO{sub 2}, and the Co and N co-doping derives 10-fold photocatalytic activity.

Influence of face-centered-cubic texturing of Co2Fe6B2 pinned layer on tunneling magnetoresistance ratio decrease in Co2Fe6B2/MgO-based p-MTJ spin valves stacked with a [Co/Pd](n)-SyAF layer.

Science.gov (United States)

Takemura, Yasutaka; Lee, Du-Yeong; Lee, Seung-Eun; Chae, Kyo-Suk; Shim, Tae-Hun; Lian, Guoda; Kim, Moon; Park, Jea-Gun

2015-05-15

The TMR ratio of Co2Fe6B2/MgO-based p-MTJ spin valves stacked with a [Co/Pd]n-SyAF layer decreased rapidly when the ex situ magnetic annealing temperature (Tex) was increased from 275 to 325 °C, and this decrease was associated with degradation of the Co2Fe6B2 pinned layer rather than the Co2Fe6B2 free layer. At a Tex above 325 °C the amorphous Co2Fe6B2 pinned layer was transformed into a face-centered-cubic (fcc) crystalline layer textured from [Co/Pd]n-SyAF, abruptly reducing the Δ1 coherence tunneling of perpendicular-spin-torque electrons between the (100) MgO tunneling barrier and the fcc Co2Fe6B2 pinned layer.

Magneto-Structural Correlations in Pseudotetrahedral Forms of the [Co(SPh)4]2- Complex Probed by Magnetometry, MCD Spectroscopy, Advanced EPR Techniques, and ab Initio Electronic Structure Calculations.

Science.gov (United States)

Suturina, Elizaveta A; Nehrkorn, Joscha; Zadrozny, Joseph M; Liu, Junjie; Atanasov, Mihail; Weyhermüller, Thomas; Maganas, Dimitrios; Hill, Stephen; Schnegg, Alexander; Bill, Eckhard; Long, Jeffrey R; Neese, Frank

2017-03-06

The magnetic properties of pseudotetrahedral Co(II) complexes spawned intense interest after (PPh 4 ) 2 [Co(SPh) 4 ] was shown to be the first mononuclear transition-metal complex displaying slow relaxation of the magnetization in the absence of a direct current magnetic field. However, there are differing reports on its fundamental magnetic spin Hamiltonian (SH) parameters, which arise from inherent experimental challenges in detecting large zero-field splittings. There are also remarkable changes in the SH parameters of [Co(SPh) 4 ] 2- upon structural variations, depending on the counterion and crystallization conditions. In this work, four complementary experimental techniques are utilized to unambiguously determine the SH parameters for two different salts of [Co(SPh) 4 ] 2- : (PPh 4 ) 2 [Co(SPh) 4 ] (1) and (NEt 4 ) 2 [Co(SPh) 4 ] (2). The characterization methods employed include multifield SQUID magnetometry, high-field/high-frequency electron paramagnetic resonance (HF-EPR), variable-field variable-temperature magnetic circular dichroism (VTVH-MCD), and frequency domain Fourier transform THz-EPR (FD-FT THz-EPR). Notably, the paramagnetic Co(II) complex [Co(SPh) 4 ] 2- shows strong axial magnetic anisotropy in 1, with D = -55(1) cm -1 and E/D = 0.00(3), but rhombic anisotropy is seen for 2, with D = +11(1) cm -1 and E/D = 0.18(3). Multireference ab initio CASSCF/NEVPT2 calculations enable interpretation of the remarkable variation of D and its dependence on the electronic structure and geometry.

Electronic structure and equation of state of Sm2Co17 from first-principles DFT+ U

Science.gov (United States)

Huang, Patrick; Butch, Nicholas P.; Jeffries, Jason R.; McCall, Scott K.

2013-03-01

Rare-earth intermetallics have important applications as permanent magnet materials, and the rational optimization of their properties would benefit greatly from guidance from ab initio modeling. However, these systems are particularly challenging for current electronic structure methods. Here, we present an ab initio study of the prototype material Sm2Co17 and related compounds, using density functional theory with a Hubbard correction for the Sm 4 f-electrons (DFT+ U method) and ultrasoft pseudopotentials. The Hubbard U parameter is derived from first principles [Cococcioni and de Gironcoli, PRB 71, 035105 (2005)], not fit to experiment. Our calculations are in good agreement with recent photoemission measurements at ambient pressure and the equation of state up to 40 GPa, thus supporting the validity of our DFT+ U model. Prepared by LLNL under Contract DE-AC52-07NA27344.

Low-energy electron scattering from CO. 2: Ab-initio study using the frame-transformation theory

Science.gov (United States)

Chandra, N.

1976-01-01

The Wigner-Eisenbud R matrix method has been combined with the frame transformation theory to study electron scattering from molecular systems. The R matrix, calculated at the boundary point of the molecular core radius, has been transformed to the space frame in order to continue the solution of the scattering equations in the outer region where rotational motion of the nuclei is taken into account. This procedure has been applied to a model calculation of thermal energy electron scattering from CO.

Electronic coupling induced high performance of N, S-codoped graphene supported CoS2 nanoparticles for catalytic reduction and evolution of oxygen

Science.gov (United States)

Chen, Bohong; Jiang, Zhongqing; Zhou, Lingshan; Deng, Binglu; Jiang, Zhong-Jie; Huang, Jianlin; Liu, Meilin

2018-06-01

A simple synthetic method is developed for the synthesis of CoS2/N, S-codoped graphene. The result shows the existence of a strong electronic coupling between CoS2 and N, S-codoped graphene. The pyrrolic and pyridinic type nitrogen and S in the form of C-S-C in N, S-codoped graphene are found to be the anchoring sites of the CoS2 nanoparticles. As a bifunctional catalyst, the CoS2/N, S-codoped graphene exhibits an oxygen reduction onset potential of 0.963 V vs. RHE and delivers an oxygen evolution overpotential of 393 mV at the current density of 10 mA cm-2. Its oxygen reduction and evolution catalytic activities are comparable to those of the Pt/C and the state-of-art RuO2/C, respectively. Most impressively, the CoS2/N, S-codoped graphene exhibits a potential gap of 771 mV. This value is lower than those of most bifuntional catalysts reported, clearly indicating its potential use as the bifunctional catalyst to replace the noble-metal based catalysts for practical applications. Additionally, our results also suggest a great importance to prepare a single pure phase CoS2 in improving the catalytic bifunctionality of the CoS2/N, S-codoped graphene. The primary Zn-air battery with CoS2/N, S-codoped graphene shows a higher discharge peak power density than that with Pt/C.

ANALYTICAL REVIEW OF ELECTRONIC RESOURCES FOR THE STUDY OF LATIN

Directory of Open Access Journals (Sweden)

Olena Yu. Balalaieva

2014-04-01

Full Text Available The article investigates the current state of development of e-learning content in the Latin language. It is noted that the introduction of ICT in the educational space has expanded the possibility of studying Latin, opened access to digital libraries resources, made it possible to use scientific and educational potential and teaching Latin best practices of world's leading universities. A review of foreign and Ukrainian information resources and electronic editions for the study of Latin is given. Much attention was paid to the didactic potential of local and online multimedia courses of Latin, electronic textbooks, workbooks of interactive tests and exercises, various dictionaries and software translators, databases and digital libraries. Based on analysis of the world market of educational services and products the main trends in the development of information resources and electronic books are examined. It was found that multimedia courses with interactive exercises or workbooks with interactive tests, online dictionaries and translators are the most widely represented and demanded. The noticeable lagging of Ukrainian education and computer linguistics in quantitative and qualitative measures in this industry is established. The obvious drawback of existing Ukrainian resources and electronic editions for the study of Latin is their noninteractive nature. The prospects of e-learning content in Latin in Ukraine are outlined.

CO2 laser technology for advanced particle accelerators

International Nuclear Information System (INIS)

Pogorelsky, I.V.

1996-06-01

Short-pulse, high-power CO 2 lasers open new prospects for development of ultra-high gradient laser-driven electron accelerators. The advantages of λ=10 μm CO 2 laser radiation over the more widely exploited solid state lasers with λ∼1 μm are based on a λ 2 -proportional ponderomotive potential, λ-proportional phase slippage, and λ-proportional scaling of the laser accelerator structures. We show how a picosecond terawatt CO 2 laser that is under construction at the Brookhaven Accelerator Test Facility may benefit the ATF's experimental program of testing far-field, near-field, and plasma accelerator schemes

Development of novel exchange spring magnet by employing nanocomposites of CoFe_2O_4 and CoFe_2

International Nuclear Information System (INIS)

Safi, Rohollah; Ghasemi, Ali; Shoja-Razavi, Reza; Tavoosi, Majid

2016-01-01

CoFe_2O_4−CoFe2 hard–soft nanocomposites were prepared via reduction of the cobalt ferrite CoFe_2O_4 in hydrogen atmosphere at different temperature. The structure and the room temperature magnetization of the samples were characterized by X-ray diffraction, field emission scanning electron microscope (FESEM) and vibrating sample magnetometer (VSM). It was found that the saturation magnetization of the nanocomposite powders increases by reduction temperature while their coercivity decreases. The highest M_r/M_s ratio of 0.52 was obtained for sample reduced at 550 °C. Single smooth hysteresis loops of nanocomposites show that these nanocomposites behave as the single-phase materials. This result indicates the presence of exchange coupling between two different hard and soft phases. - Highlights: • CoFe_2O_4–CoFe_2 was successfully synthesized by reduction diffusion process. • Two phases are effectively exchange coupled in nanocomposite. • Single smooth hysteresis loop was developed in nanocomposites.

Elektronik Bilgi Kaynaklarının Seçimi / Selection of Electronic Information Resources

Directory of Open Access Journals (Sweden)

Pınar Al

2003-04-01

Full Text Available For many years, library users have used only from the printed media in order to get the information that they have needed. Today with the widespread use of the Web and the addition of electronic information resources to library collections, the use of information in the electronic environment as well as in printed media is started to be used. In time, such types of information resources as, electronic journals, electronic books, electronic encyclopedias, electronic dictionaries and electronic theses have been added to library collections. In this study, selection criteria that can be used for electronic information resources are discussed and suggestions are provided for libraries that try to select electronic information resources for their collections.

3D self-supported hierarchical Ni−Co architectures with integrated capacitive performance and enhanced electronic conductivity for supercapacitors

International Nuclear Information System (INIS)

Tang, YanRu; Cheng, Baohai

2016-01-01

3D self-supported hierarchical Ni and Co co-hydroxide architectures are promising electrode materials for supercapacitor application attributed to their prominent properties such as binder-free electrode fabrication process and high power density. However, the intrinsic conductivity of Ni and Co co-hydroxide is poor. How to develop a new type of supercapacitors exhibiting enhanced electronic conductivity and involving pseudocapacitive performance and electric double-layer capacitive performance is still challenging. Herein, we present a facile co-electrodeposition method to fabricate self-standing Ni_xCo_2_x(OH)_y@Ni/ITO monolithic electrode by growing a layer of Ni_xCo_2_x(OH)_y with layered structure on surface of conductive Ni nanotube, which increases specific surface area and prompts fast ion adsorption/de-adsotption (electrochemical double layer capacitance performance) and fast surface redox reactions (pseudo-capacitance performance). With the conductive Ni nanotube as current collector and electronic conductor, the binder-free Ni_xCo_2_x(OH)_y@Ni/ITO electrode exhibits high specific capacitance (92.4 mF cm"−"2 at 0.1 mA cm"−"2, the mass of active material per cm"−"2 is typically in 100 s μg). Moreover, Ni_xCo_2_x(OH)_y@Ni/ITO hybrids display excellent cycling stability with 93.3% capacitance retention after 5000 cycles. The results suggest Ni_xCo_2_x(OH)_y@Ni/ITO nanostructure constructed based on integrated features of pseudocapacitive performance and electric double-layer capacitive performance and enhanced electronic conductivity is expected to be a type of excellent electrode material for supercapacitor. - Highlights: • Ni−Co electrode is fabricated by growing layered structure on Ni nanotube surface. • The layered structure prompts fast ion adsorption/de-adsotption and redox reactions. • The Ni nanotube serves as nanostructured current collector and electronic conductor. • The Ni−Co hybrids display 93.3% capacitance retention

Economic and game-theoretical analysis of CO2 reduction agreements

International Nuclear Information System (INIS)

Tahvonen, O.

1994-01-01

The possibility of climate change and suggestions to stabilize CO 2 emissions have led to several different fields of research in resource and environmental economics. These include: 1. Studies on country specific and global greenhouse gas abatement costs. 2. Studies on global and country specific adaptation costs. 3. Game-theoretical analysis of greenhouse gas reduction agreements. 4. Studies on the relationship between CO 2 accumulation and natural resource utilization. 5. Models of climate change and intertemporal efficiency and equity. 6. Studies on emissions taxes and emissions permit markets for greenhouse gas abatement. The aim of this project is to contribute to the economic literature in fields 3, and 4

The interface of the ferromagnetic metal CoS2 and the nonmagnetic semiconductor FeS2

KAUST Repository

Nazir, S.

2010-11-05

The electronic and magnetic properties of the cubic pyriteCoS2/FeS2interface are studied using the all-electron full-potential linearized augmented plane wave method. We find that this contact between a ferromagneticmetal and a nonmagnetic semiconductor shows a metallic character. The CoS2 stays close to half-metallicity at the interface, while the FeS2 becomes metallic. The magnetic moment of the Co atoms at the interface slightly decreases as compared to the bulk value and a small moment is induced on the Fe atoms. Furthermore, at the interfaceferromagnetic ordering is found to be energetically favorable as compared to antiferromagnetic ordering.

Defects and related phenomena in electron irradiated ordered or disordered Fe-Co and Fe-Co-V alloys

International Nuclear Information System (INIS)

Riviere, J.P.; Dinhut, J.F.; Desarmot, G.

1983-01-01

Two B 2 type alloys Fe 50 at.%-Co 50 at.% and Fe 49 at.%-Co 49 at.%-V 2 at.% either in the ordered or the disordered state have been irradiated with 2.5 MeV electrons at liquid hydrogen temperature. The recovery of the resistivity damage was studied during subsequent isochronal annealing up to 700 K. The resistivity damage rates for both initially disordered Fe-Co and Fe-Co-V alloys are interpreted in terms of point defect production. The intrinsic resistivities rhosub(F) of Frenkel pairs and the effective recombination volumes V 0 are determined. In the Fe-Co ordered alloy point defect production superimposed with a disordering process can account for the resistivity damage. The effective displacement rate causing disordering is determined, indicating that replacement collisions are the dominant disordering mechanism. A calculation of the average number of replacements along directions per Frenkel pair is proposed. During the recovery of the radiation induced resistivity three main stages are observed in both ordered and disordered alloys. The particular resistivity behavior of the Fe-Co-V alloy complicates the interpretation of production and recovery data. (author)

Geochemical Interaction of Middle Bakken Reservoir Rock and CO2 during CO2-Based Fracturing

Science.gov (United States)

Nicot, J. P.; Lu, J.; Mickler, P. J.; Ribeiro, L. H.; Darvari, R.

2015-12-01

This study was conducted to investigate the effects of geochemical interactions when CO2 is used to create the fractures necessary to produce hydrocarbons from low-permeability Middle Bakken sandstone. The primary objectives are to: (1) identify and understand the geochemical reactions related to CO2-based fracturing, and (2) assess potential changes of reservoir property. Three autoclave experiments were conducted at reservoir conditions exposing middle Bakken core fragments to supercritical CO2 (sc-CO2) only and to CO2-saturated synthetic brine. Ion-milled core samples were examined before and after the reaction experiments using scanning electron microscope, which enabled us to image the reaction surface in extreme details and unambiguously identify mineral dissolution and precipitation. The most significant changes in the reacted rock samples exposed to the CO2-saturated brine is dissolution of the carbonate minerals, particularly calcite which displays severely corrosion. Dolomite grains were corroded to a lesser degree. Quartz and feldspars remained intact and some pyrite framboids underwent slight dissolution. Additionally, small amount of calcite precipitation took place as indicated by numerous small calcite crystals formed at the reaction surface and in the pores. The aqueous solution composition changes confirm these petrographic observations with increase in Ca and Mg and associated minor elements and very slight increase in Fe and sulfate. When exposed to sc-CO2 only, changes observed include etching of calcite grain surface and precipitation of salt crystals (halite and anhydrite) due to evaporation of residual pore water into the sc-CO2 phase. Dolomite and feldspars remained intact and pyrite grains were slightly altered. Mercury intrusion capillary pressure tests on reacted and unreacted samples shows an increase in porosity when an aqueous phase is present but no overall porosity change caused by sc-CO2. It also suggests an increase in permeability

Exchange coupling behavior in bimagnetic CoFe{sub 2}O{sub 4}/CoFe{sub 2} nanocomposite

Energy Technology Data Exchange (ETDEWEB)

Leite, G.C.P. [Instituto de Fisica, Universidade Federal de Mato Grosso, 78060-900 Cuiaba-MT (Brazil); Chagas, E.F., E-mail: efchagas@fisica.ufmt.br [Instituto de Fisica, Universidade Federal de Mato Grosso, 78060-900 Cuiaba-MT (Brazil); Pereira, R.; Prado, R.J. [Instituto de Fisica, Universidade Federal de Mato Grosso, 78060-900 Cuiaba-MT (Brazil); Terezo, A.J. [Departamento de Quimica, Universidade Federal do Mato Grosso, 78060-900 Cuiaba-MT (Brazil); Alzamora, M.; Baggio-Saitovitch, E. [Centro Brasileiro de Pesquisas Fisicas, Rua Xavier Sigaud 150 Urca, Rio de Janeiro (Brazil)

2012-09-15

In this work we report a study of the magnetic behavior of ferrimagnetic oxide CoFe{sub 2}O{sub 4} and ferrimagnetic oxide/ferromagnetic metal CoFe{sub 2}O{sub 4}/CoFe{sub 2} nanocomposite. The latter compound is a good system to study hard ferrimagnet/soft ferromagnet exchange coupled. Two steps were followed to synthesize the bimagnetic CoFe{sub 2}O{sub 4}/CoFe{sub 2} nanocomposite: (i) first, preparation of CoFe{sub 2}O{sub 4} nanoparticles using a simple hydrothermal method, and (ii) second, reduction reaction of cobalt ferrite nanoparticles using activated charcoal in inert atmosphere and high temperature. The phase structures, particle sizes, morphology, and magnetic properties of CoFe{sub 2}O{sub 4} nanoparticles were investigated by X-Ray diffraction (XRD), Mossbauer spectroscopy (MS), transmission electron microscopy (TEM), and vibrating sample magnetometer (VSM) with applied field up to 3.0 kOe at room temperature and 50 K. The mean diameter of CoFe{sub 2}O{sub 4} particles is about 16 nm. Mossbauer spectra revealed two sites for Fe{sup 3+}. One site is related to Fe in an octahedral coordination and the other one to the Fe{sup 3+} in a tetrahedral coordination, as expected for a spinel crystal structure of CoFe{sub 2}O{sub 4}. TEM measurements of nanocomposite showed the formation of a thin shell of CoFe{sub 2} on the cobalt ferrite and indicate that the nanoparticles increase to about 100 nm. The magnetization of the nanocomposite showed a hysteresis loop that is characteristic of exchange coupled systems. A maximum energy product (BH){sub max} of 1.22 MGOe was achieved at room temperature for CoFe{sub 2}O{sub 4}/CoFe{sub 2} nanocomposites, which is about 115% higher than the value obtained for CoFe{sub 2}O{sub 4} precursor. The exchange coupling interaction and the enhancement of product (BH){sub max} in nanocomposite CoFe{sub 2}O{sub 4}/CoFe{sub 2} are discussed. - Highlights: Black-Right-Pointing-Pointer CoFe{sub 2}O{sub 4}/CoFe{sub 2} nanocomposite

THE ARIZONA RADIO OBSERVATORY CO MAPPING SURVEY OF GALACTIC MOLECULAR CLOUDS. II. THE W3 REGION IN CO J = 2-1, 13CO J = 2-1, AND CO J = 3-2 EMISSION

International Nuclear Information System (INIS)

Bieging, John H.; Peters, William L.

2011-01-01

We present fully sampled 38'' resolution maps of the CO and 13 CO J = 2-1 lines in the molecular clouds toward the H II region complex W3. The maps cover a 2. 0 0 x 1. 0 67 section of the galactic plane and span -70 to -20 km s -1 (LSR) in velocity with a resolution of ∼1.3 km s -1 . The velocity range of the images includes all the gas in the Perseus spiral arm. We also present maps of CO J = 3-2 emission for a 0. 0 5 x 0. 0 33 area containing the H II regions W3 Main and W3(OH). The J = 3-2 maps have velocity resolution of 0.87 km s -1 and 24'' angular resolution. Color figures display the peak line brightness temperature, the velocity-integrated intensity, and velocity channel maps for all three lines, and also the (CO/ 13 CO) J = 2-1 line intensity ratios as a function of velocity. The line intensity image cubes are made available in standard FITS format as electronically readable files. We compare our molecular line maps with the 1.1 mm continuum image from the BOLOCAM Galactic Plane Survey (BGPS). From our 13 CO image cube, we derive kinematic information for the 65 BGPS sources in the mapped field, in the form of Gaussian component fits.

Resource recovery of WC-Co cermet using hydrothermal oxidation technique

International Nuclear Information System (INIS)

Gao Ningfeng; Inagaki, F.; Sasai, R.; Itoh, H.; Watari, K.

2005-01-01

WC-Co cermet is widely used in industrial applications such as cutting tools, dies, wear parts and so on. It is of great importance to establish the recycling process for the precious metal resources contained in WC-Co cermet, because all these metals used in Japan are imported. In this paper we reported a hydrothermal oxidation technique using nitric acid for the reclamation of WC and Co. The WC-Co cermet specimens with various WC particle sizes and Co contents were hydrothermally treated in HNO 3 aqueous solutions at temperatures of 110-200 C for durations of 6-240 h. The Co was preferentially leached out into the acidic solution, while the WC was oxidized to insoluble WO 3 hydrate which was subsequently separated by filtration. The hydrothermal treatment parameters such as solvent concentrations, treatment temperatures, holding time were optimized in respect to different kinds of WC-Co cermets. A hydrothermal oxidation treatment in 3M HNO 3 aqueous solution at 150 C for 24 h was capable of fully disintegrating the cermet chip composed of coarse WC grains of 1-5 μm in size with 20 wt% of Co as binder. While the more oxidation resistant specimen composed of fine WC grains of 0.5-1.0 μm in size with 13 wt% of Co, was completely disintegrated by a treatment in 7 M HNO 3 aqueous solution at 170 C for 24 h. The filtered solid residues were composed of fine WO 3 .0.33H 2 O powder and a small amount of WO 3 . The recovered WO 3 .0.33H 2 O powder can be easily returned to the industrial process for the synthesis of WC powder so that the overall recycling cost can be possibly lowered. (orig.)

Ab initio calculation of the cross sections for electron impact vibrational excitation of CO via the {sup 2}Π shape resonance

Energy Technology Data Exchange (ETDEWEB)

Falcetta, Michael F., E-mail: mffalcetta@gcc.edu; Fair, Mark C.; Tharnish, Emily M.; Williams, Lorna M.; Hayes, Nathan J. [Department of Chemistry, Grove City College, Grove City, Pennsylvania 16127 (United States); Jordan, Kenneth D. [Department of Chemistry, University of Pittsburgh, Pittsburgh, Pennsylvania 15260 (United States)

2016-03-14

The stabilization method is used to calculate the complex potential energy curve of the {sup 2}Π state of CO{sup −} as a function of bond length, with the refinement that separate potentials are determined for p-wave and d-wave attachment and detachment of the excess electron. Using the resulting complex potentials, absolute vibrational excitation cross sections are calculated as a function of electron energy and scattering angle. The calculated cross sections agree well with experiment.

Vehicle emissions of greenhouse gases and related tracers from a tunnel study: : CO: CO2, N2O: CO2, CH4: CO2, O2: CO2 ratios, and the stable isotopes 13C and 18O in CO2 and CO

NARCIS (Netherlands)

Popa, Maria Elena; Vollmer, M. K.; Jordan, A.; Brand, W. A.; Pathirana, S. L.; Rothe, M.; Röckmann, T.

2014-01-01

Measurements of CO2, CO, N2O and CH4 mole fractions, O2/N2 ratios and the stable isotopes 13C and 18O in CO2 and CO have been performed in air samples from the Islisberg highway tunnel (Switzerland). The molar CO : CO2 ratios, with an average of (4.15 ± 0.34) ppb:ppm, are lower than reported in

Localized 5f electrons in superconducting PuCoIn5: consequences for superconductivity in PuCoGa5

International Nuclear Information System (INIS)

Bauer, E D; Altarawneh, M M; Tobash, P H; Gofryk, K; Ayala-Valenzuela, O E; Mitchell, J N; McDonald, R D; Mielke, C H; Ronning, F; Scott, B L; Thompson, J D; Griveau, J-C; Colineau, E; Eloirdi, R; Caciuffo, R; Janka, O; Kauzlarich, S M

2012-01-01

The physical properties of the first In analog of the PuMGa 5 (M = Co, Rh) family of superconductors, PuCoIn 5 , are reported. With its unit cell volume being 28% larger than that of PuCoGa 5 , the characteristic spin-fluctuation energy scale of PuCoIn 5 is three to four times smaller than that of PuCoGa 5 , which suggests that the Pu 5f electrons are in a more localized state relative to PuCoGa 5 . This raises the possibility that the high superconducting transition temperature T c = 18.5 K of PuCoGa 5 stems from the proximity to a valence instability, while the superconductivity at T c = 2.5 K of PuCoIn 5 is mediated by antiferromagnetic spin fluctuations associated with a quantum critical point. (fast track communication)

Access to electronic resources by visually impaired people

Directory of Open Access Journals (Sweden)

Jenny Craven

2003-01-01

Full Text Available Research into access to electronic resources by visually impaired people undertaken by the Centre for Research in Library and Information Management has not only explored the accessibility of websites and levels of awareness in providing websites that adhere to design for all principles, but has sought to enhance understanding of information seeking behaviour of blind and visually impaired people when using digital resources.

An Integrated Response of Trichodesmium erythraeum IMS101 Growth and Photo-Physiology to Iron, CO2, and Light Intensity.

Science.gov (United States)

Boatman, Tobias G; Oxborough, Kevin; Gledhill, Martha; Lawson, Tracy; Geider, Richard J

2018-01-01

We have assessed how varying CO 2 (180, 380, and 720 μatm) and growth light intensity (40 and 400 μmol photons m -2 s -1 ) affected Trichodesmium erythraeum IMS101 growth and photophysiology over free iron (Fe') concentrations between 20 and 9,600 pM. We found significant iron dependencies of growth rate and the initial slope and maximal relative PSII electron transport rates (rP m ). Under iron-limiting concentrations, high-light increased growth rates and rP m ; possibly indicating a lower allocation of resources to iron-containing photosynthetic proteins. Higher CO 2 increased growth rates across all iron concentrations, enabled growth to occur at lower Fe' concentrations, increased rP m and lowered the iron half saturation constants for growth (K m ). We attribute these CO 2 responses to the operation of the CCM and the ATP spent/saved for CO 2 uptake and transport at low and high CO 2 , respectively. It seems reasonable to conclude that T. erythraeum IMS101 can exhibit a high degree of phenotypic plasticity in response to CO 2 , light intensity and iron-limitation. These results are important given predictions of increased dissolved CO 2 and water column stratification (i.e., higher light exposures) over the coming decades.

An Integrated Response of Trichodesmium erythraeum IMS101 Growth and Photo-Physiology to Iron, CO2, and Light Intensity

Directory of Open Access Journals (Sweden)

Tobias G. Boatman

2018-04-01

Full Text Available We have assessed how varying CO2 (180, 380, and 720 μatm and growth light intensity (40 and 400 μmol photons m−2 s−1 affected Trichodesmium erythraeum IMS101 growth and photophysiology over free iron (Fe′ concentrations between 20 and 9,600 pM. We found significant iron dependencies of growth rate and the initial slope and maximal relative PSII electron transport rates (rPm. Under iron-limiting concentrations, high-light increased growth rates and rPm; possibly indicating a lower allocation of resources to iron-containing photosynthetic proteins. Higher CO2 increased growth rates across all iron concentrations, enabled growth to occur at lower Fe′ concentrations, increased rPm and lowered the iron half saturation constants for growth (Km. We attribute these CO2 responses to the operation of the CCM and the ATP spent/saved for CO2 uptake and transport at low and high CO2, respectively. It seems reasonable to conclude that T. erythraeum IMS101 can exhibit a high degree of phenotypic plasticity in response to CO2, light intensity and iron-limitation. These results are important given predictions of increased dissolved CO2 and water column stratification (i.e., higher light exposures over the coming decades.

Study and characterization of the hexa ferrite Ba{sub 2}Co{sub 2}Fe{sub 12}O{sub 22} (Co{sub 2}-Y); Sintese e caracterizacao da hexaferrita Ba{sub 2}Co{sub 2}Fe{sub 12}O{sub 22} (Co{sub 2}-Y)

Energy Technology Data Exchange (ETDEWEB)

Pires Junior, G.F.M.; Rodrigues, H.O. [Universidade Federal do Ceara (DETI/UFC), Fortaleza, CE (Brazil). Dept. de Teleinformatica; Sales, J.C [Universidade Estadual Vale do Acarau (UVA), Fortaleza, CE (Brazil). Dept. de Engenharia; Sancho, E.O. [Universidade Federal do Ceara (UFC), Fortaleza, CE (Brazil). Dept. de Engenharia de Materiais; Sombra, A.S.B. [Universidade Federal do Ceara (LOCEM/UFC), Fortaleza, CE (Brazil). Dept. de Fisica. Lab. de Telecomunicacoes e Ciencias e Engenharia de Materiais

2009-07-01

The objective of this work is to synthesize and to characterize the Hexaferrita Ba2Co{sub 2}Fe{sub 12}O{sub 22} (Co{sub 2}Y). The Y-type Hexaferrita (Co{sub 2}Y) was prepared by the ceramic conventional method. The mixed powder by 1 h was calcined at 1050 deg C for 3 h. After of the calcination the powders were characterized by scanning electron microscopy (SEM) and X-ray diffraction (XRD) using a diffractometer DMAXB of the Rigaku (Japan), CuK{sub {alpha}} radiation ({lambda}=1.5405 angstrom) in a tax of 0.5 deg /min and linear band (20 deg at 80 deg) in 2{theta}. The characterization more detailed by XRD was made using the DBWS9807a program that uses the method of Rietveld for refinement of crystalline structures and confirmed the isolated attainment of the phase (Co{sub 2}Y) with hexagonal crystalline structure (a = b = 5,8560 angstrom and c = 43,4977 angstrom; {alpha} = {beta} = 90 deg and {gamma} = 120 deg) with density and volume of the unit cell calculated of 5.45 g/cm{sup 3} and 1292,3 angstrom respectively. (author)

Influence of O{sub 2} on the dielectric properties of CO{sub 2} at the elevated temperatures

Energy Technology Data Exchange (ETDEWEB)

Rong, Mingzhe; Sun, Hao; Yang, Fei, E-mail: yfei2007@mail.xjtu.edu.cn; Wu, Yi, E-mail: wuyic51@mail.xjtu.edu.cn; Chen, Zhexin; Wang, Xiaohua; Wu, Mingliang [State Key Laboratory of Electrical Insulation and Power Equipment, Xi' an Jiaotong University, Xi' an Shaanxi 710049 (China)

2014-11-15

SF{sub 6} gas is widely used in the high voltage circuit breakers but considering its high global warming potential other substitutes are being sought. Among them CO{sub 2} was investigated and even has been used in some practical products. However, at room temperature, the dielectric properties of CO{sub 2} are relatively lower than SF{sub 6} and air. The goal of this work is to investigate a CO{sub 2}-based gas to improve the performance of the pure CO{sub 2}. In this paper, the dielectric properties of hot CO{sub 2}/O{sub 2} mixtures related to the dielectric recovery phase of the circuit breaker were investigated in the temperature range from 300 K to 4000 K and in the pressure range from 0.01 MPa to 1.0 MPa. The species compositions of hot CO{sub 2}/O{sub 2} were obtained based on Gibbs free energy minimization under the assumptions of local thermodynamic equilibrium and local chemical equilibrium. The reduced critical electric field strength of CO{sub 2}/O{sub 2} was determined by balancing electron generation and loss. These were calculated using the electron energy distribution function by solving the Boltzmann transport equation. The validity of the calculation method and the cross sections data was confirmed by comparing the measurements and calculations of the electron swarm data in previous work. The results indicate that in pure CO{sub 2} the critical electric field strength is higher only in higher temperature range. By adding the O{sub 2} into the CO{sub 2}, the critical electric field strength at lower temperature is effectively enhanced. CO{sub 2}/O{sub 2} mixtures have a much better dielectric strength than both the pure CO{sub 2} and air and thus have the potential to improve the CO{sub 2}-based gas circuit breakers. Similar conclusions can also be found in others’ work, which further confirm the validity of these results.

Evolution of Spin fluctuations in CaFe2As2 with Co-doping.

Science.gov (United States)

Sapkota, A.; Das, P.; Böhmer, A. E.; Abernathy, D. L.; Canfield, P. C.; Kreyssig, A.; McQueeney, R. J.; Goldman, A. I.

Spin fluctuations are an essential ingredient for superconductivity in Fe-based supercondcutors. In Co-doped BaFe2As2, the system goes from the antiferromagnetic (AFM) state to the superconducting (SC) state with Co doping, and the spin fluctuations also evolve from well-defined spin waves with spin gap in the AFM regime to gapless overdamped or diffused fluctuations in the SC regime. CaFe2As2 has a stronger magneto-elastic coupling than BaFe2As2 and no co-existence of SC and AFM region as observed in BaFe2As2 with Co doping. Here, we will discuss the evolution of spin fluctuations in CaFe2As2 with Co doping. Work at the Ames Laboratory was supported by US DOE, Basic Energy Sciences, Division of Material Sciences and Engineering, under contract No. DE-AC02-07CH11358. This research used resources of SNS, a DOE office of science user facility operated by ORNL.

Enhanced photocatalytic CO2 reduction to CH4 over separated dual co-catalysts Au and RuO2

Science.gov (United States)

Dong, Chunyang; Hu, Songchang; Xing, Mingyang; Zhang, Jinlong

2018-04-01

A spatially separated, dual co-catalyst photocatalytic system was constructed by the stepwise introduction of RuO2 and Au nanoparticles (NPs) at the internal and external surfaces of a three dimensional, hierarchically ordered TiO2-SiO2 (HTSO) framework (the final photocatalyst was denoted as Au/HRTSO). Characterization by HR-TEM, EDS-mapping, XRD and XPS confirmed the existence and spatially separated locations of Au and RuO2. In CO2 photocatalytic reduction (CO2PR), Au/HRTSO (0.8%) shows the optimal performance in both the activity and selectivity towards CH4; the CH4 yield is almost twice that of the singular Au/HTSO or HRTSO (0.8%, weight percentage of RuO2) counterparts. Generally, Au NPs at the external surface act as electron trapping agents and RuO2 NPs at the inner surface act as hole collectors. This advanced spatial configuration could promote charge separation and transfer efficiency, leading to enhanced CO2PR performance in both the yield and selectivity toward CH4 under simulated solar light irradiation.

Electron-irradiation induced changes in structural and magnetic properties of Fe and Co based metallic glasses

Energy Technology Data Exchange (ETDEWEB)

Kane, S.N., E-mail: kane_sn@yahoo.com [School of Physics, D.A. University, Khandwa Road Campus, Indore 452001 (India); Satalkar, M., E-mail: satalkar.manvi@gmail.com [School of Physics, D.A. University, Khandwa Road Campus, Indore 452001 (India); Ghosh, A.; Shah, M. [School of Physics, D.A. University, Khandwa Road Campus, Indore 452001 (India); Ghodke, N. [UGC-DAE CSR, University Campus, Khandwa Road, Indore 452001 (India); Pramod, R.; Sinha, A.K.; Singh, M.N.; Dwivedi, J. [Raja Ramanna Centre for Advanced Technology, P.O. CAT, Indore 452013 (India); Coisson, M.; Celegato, F.; Vinai, F.; Tiberto, P. [INRIM, Electromagnetism Division, Strada Delle Cacce 91, I-10135 TO (Italy); Varga, L.K. [RISSPO, Hungarian Academy of Sciences, P.O. Box 49, 1525 Budapest (Hungary)

2014-12-05

Highlights: • Enhancement of Ms by low electron irradiation dose in Fe-based alloy. • Variation of magnetic properties by electron irradiation induced ordered phase. • Electron irradiation alters TM-TM distance and, magnetic properties. - Abstract: Electron-irradiation induced changes in structural and, magnetic properties of Co{sub 57.6}Fe{sub 14.4}Si{sub 4.8}B{sub 19.2}Nb{sub 4}, Fe{sub 72}Si{sub 4.8}B{sub 19.2}Nb{sub 4} and, Co{sub 72}Si{sub 4.8}B{sub 19.2}Nb{sub 4} metallic glasses were studied using magnetic hysteresis and, synchrotron X-ray diffraction measurements. Results reveal composition dependent changes of magnetic properties in electron irradiated metallic glasses. A low electron irradiation dose (15 kGy) enhances saturation magnetization (up to 62%) in Fe-based alloy (Fe{sub 72}Si{sub 4.8}B{sub 19.2}Nb{sub 4}). Synchrotron XRD measurements reveal that electron irradiation transforms the amorphous matrix to a more ordered phase, accountable for changes in magnetic properties.

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