Energy storage for a lunar base by the reversible chemical reaction: CaO+H2O reversible reaction Ca(OH)2

NASA Technical Reports Server (NTRS)

Perez-Davis, Marla E.; Difilipo, Frank

1990-01-01

A thermochemical solar energy storage concept involving the reversible reaction CaO + H2O yields Ca(OH)2 is proposed as a power system element for a lunar base. The operation and components of such a system are described. The CaO/H2O system is capable of generating electric power during both the day and night. The specific energy (energy to mass ratio) of the system was estimated to be 155 W-hr/kg. Mass of the required amount of CaO is neglected since it is obtained from lunar soil. Potential technical problems, such as reactor design and lunar soil processing, are reviewed.

Highly Durable Na2V6O16·1.63H2O Nanowire Cathode for Aqueous Zinc-Ion Battery.

PubMed

Hu, Ping; Zhu, Ting; Wang, Xuanpeng; Wei, Xiujuan; Yan, Mengyu; Li, Jiantao; Luo, Wen; Yang, Wei; Zhang, Wencui; Zhou, Liang; Zhou, Zhiqiang; Mai, Liqiang

2018-03-14

Rechargeable aqueous zinc-ion batteries are highly desirable for grid-scale applications due to their low cost and high safety; however, the poor cycling stability hinders their widespread application. Herein, a highly durable zinc-ion battery system with a Na 2 V 6 O 16 ·1.63H 2 O nanowire cathode and an aqueous Zn(CF 3 SO 3 ) 2 electrolyte has been developed. The Na 2 V 6 O 16 ·1.63H 2 O nanowires deliver a high specific capacity of 352 mAh g -1 at 50 mA g -1 and exhibit a capacity retention of 90% over 6000 cycles at 5000 mA g -1 , which represents the best cycling performance compared with all previous reports. In contrast, the NaV 3 O 8 nanowires maintain only 17% of the initial capacity after 4000 cycles at 5000 mA g -1 . A single-nanowire-based zinc-ion battery is assembled, which reveals the intrinsic Zn 2+ storage mechanism at nanoscale. The remarkable electrochemical performance especially the long-term cycling stability makes Na 2 V 6 O 16 ·1.63H 2 O a promising cathode for a low-cost and safe aqueous zinc-ion battery.

Facile and cost effective synthesis of mesoporous spinel NiCo2O4 as an anode for high lithium storage capacity

NASA Astrophysics Data System (ADS)

Jadhav, Harsharaj S.; Kalubarme, Ramchandra S.; Park, Choong-Nyeon; Kim, Jaekook; Park, Chan-Jin

2014-08-01

To fulfill the high power and high energy density demands for Li-ion batteries (LIBs) new anode materials need to be explored to replace conventional graphite. Herein, we report the urea assisted facile co-precipitation synthesis of spinel NiCo2O4 and its application as an anode material for LIBs. The synthesized NiCo2O4 exhibited an urchin-like microstructure and polycrystalline and mesoporous nature. In addition, the mesoporous NiCo2O4 electrode exhibited an initial discharge capacity of 1095 mA h g-1 and maintained a reversible capacity of 1000 mA h g-1 for 400 cycles at 0.5 C-rate. The reversible capacity of NiCo2O4 could still be maintained at 718 mA h g-1, even at 10 C. The mesoporous NiCo2O4 exhibits great potential as an anode material for LIBs with the advantages of unique performance and facile preparation.To fulfill the high power and high energy density demands for Li-ion batteries (LIBs) new anode materials need to be explored to replace conventional graphite. Herein, we report the urea assisted facile co-precipitation synthesis of spinel NiCo2O4 and its application as an anode material for LIBs. The synthesized NiCo2O4 exhibited an urchin-like microstructure and polycrystalline and mesoporous nature. In addition, the mesoporous NiCo2O4 electrode exhibited an initial discharge capacity of 1095 mA h g-1 and maintained a reversible capacity of 1000 mA h g-1 for 400 cycles at 0.5 C-rate. The reversible capacity of NiCo2O4 could still be maintained at 718 mA h g-1, even at 10 C. The mesoporous NiCo2O4 exhibits great potential as an anode material for LIBs with the advantages of unique performance and facile preparation. Electronic supplementary information (ESI) available: Experimental details and additional experimental results. See DOI: 10.1039/c4nr02183e

Specific storage volumes: A useful tool for CO2 storage capacity assessment

USGS Publications Warehouse

Brennan, S.T.; Burruss, R.C.

2006-01-01

Subsurface geologic strata have the potential to store billions of tons of anthropogenic CO2; therefore, geologic carbon sequestration can be an effective mitigation tool used to slow the rate at which levels of atmospheric CO2 are increasing. Oil and gas reservoirs, coal beds, and saline reservoirs can be used for CO2 storage; however, it is difficult to assess and compare the relative storage capacities of these different settings. Typically, CO2 emissions are reported in units of mass, which are not directly applicable to comparing the CO2 storage capacities of the various storage targets. However, if the emission values are recalculated to volumes per unit mass (specific volume) then the volumes of geologic reservoirs necessary to store CO2 emissions from large point sources can be estimated. The factors necessary to convert the mass of CO2 emissions to geologic storage volume (referred to here as Specific Storage Volume or 'SSV') can be reported in units of cubic meters, cubic feet, and petroleum barrels. The SSVs can be used to estimate the reservoir volume needed to store CO2 produced over the lifetime of an individual point source, and to identify CO2 storage targets of sufficient size to meet the demand from that given point source. These storage volumes also can then be projected onto the land surface to outline a representative "footprint," which marks the areal extent of storage. This footprint can be compared with the terrestrial carbon sequestration capacity of the same land area. The overall utility of this application is that the total storage capacity of any given parcel of land (from surface to basement) can be determined, and may assist in making land management decisions. ?? Springer Science+Business Media, LLC 2006.

Classification of CO2 Geologic Storage: Resource and Capacity

USGS Publications Warehouse

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

2009-01-01

The use of the term capacity to describe possible geologic storage implies a realistic or likely volume of CO2 to be sequestered. Poor data quantity and quality may lead to very high uncertainty in the storage estimate. Use of the term "storage resource" alleviates the implied certainty of the term "storage capacity". This is especially important to non- scientists (e.g. policy makers) because "capacity" is commonly used to describe the very specific and more certain quantities such as volume of a gas tank or a hotel's overnight guest limit. Resource is a term used in the classification of oil and gas accumulations to infer lesser certainty in the commercial production of oil and gas. Likewise for CO2 sequestration, a suspected porous and permeable zone can be classified as a resource, but capacity can only be estimated after a well is drilled into the formation and a relatively higher degree of economic and regulatory certainty is established. Storage capacity estimates are lower risk or higher certainty compared to storage resource estimates. In the oil and gas industry, prospective resource and contingent resource are used for estimates with less data and certainty. Oil and gas reserves are classified as Proved and Unproved, and by analogy, capacity can be classified similarly. The highest degree of certainty for an oil or gas accumulation is Proved, Developed Producing (PDP) Reserves. For CO2 sequestration this could be Proved Developed Injecting (PDI) Capacity. A geologic sequestration storage classification system is developed by analogy to that used by the oil and gas industry. When a CO2 sequestration industry emerges, storage resource and capacity estimates will be considered a company asset and consequently regulated by the Securities and Exchange Commission. Additionally, storage accounting and auditing protocols will be required to confirm projected storage estimates and assignment of credits from actual injection. An example illustrates the use of

Impact of UV–H2O2 Advanced Oxidation and Aging Processes on GAC Capacity for the Removal of Cyanobacterial Taste and Odor Compounds

PubMed Central

Zamyadi, Arash; Sawade, Emma; Ho, Lionel; Newcombe, Gayle; Hofmann, Ron

2015-01-01

Cyanobacteria and their taste and odor (T&O) compounds are a growing concern in water sources globally. Geosmin and 2-methylisoborneol (MIB) are the most commonly detected T&O compounds associated with cyanobacterial presence in drinking water sources. The use of ultraviolet and hydrogen peroxide (H2O2) as an advanced oxidation treatment for T&O control is an emerging technology. However, residual H2O2 (>80% of the initial dose) has to be removed from water prior final disinfection. Recently, granular activated carbon (GAC) is used to remove H2O2 residual. The objective of this study is to assess the impact of H2O2 quenching and aging processes on GAC capacity for the removal of geosmin and MIB. Pilot columns with different types of GAC and presence/absence of H2O2 have been used for this study. H2O2 removal for the operational period of 6 months has no significant impact on GAC capacity to remove the geosmin and MIB from water. PMID:26462247

Impact of UV-H2O2 Advanced Oxidation and Aging Processes on GAC Capacity for the Removal of Cyanobacterial Taste and Odor Compounds.

PubMed

Zamyadi, Arash; Sawade, Emma; Ho, Lionel; Newcombe, Gayle; Hofmann, Ron

2015-01-01

Cyanobacteria and their taste and odor (T&O) compounds are a growing concern in water sources globally. Geosmin and 2-methylisoborneol (MIB) are the most commonly detected T&O compounds associated with cyanobacterial presence in drinking water sources. The use of ultraviolet and hydrogen peroxide (H2O2) as an advanced oxidation treatment for T&O control is an emerging technology. However, residual H2O2 (>80% of the initial dose) has to be removed from water prior final disinfection. Recently, granular activated carbon (GAC) is used to remove H2O2 residual. The objective of this study is to assess the impact of H2O2 quenching and aging processes on GAC capacity for the removal of geosmin and MIB. Pilot columns with different types of GAC and presence/absence of H2O2 have been used for this study. H2O2 removal for the operational period of 6 months has no significant impact on GAC capacity to remove the geosmin and MIB from water.

Heterogeneous nanocrystals assembled TiO2/SnO2/C composite for improved lithium storage

NASA Astrophysics Data System (ADS)

Tian, Qinghua; Mao, Yuning; Zhang, Xuzhen; Yang, Li

2018-07-01

Using stable TiO2 and flexible carbon as double-functional structure protector of nanostructural SnO2 to fabricate TiO2/SnO2/C composites is widely considered as a favorable strategy for improving the lithium storage performance of SnO2 anodes. But, it is still a challenge to obtain a satisfying TiO2/SnO2/C composite. Herein, an interesting porous nanostructure of TiO2/SnO2/C nanosphere composite assembled by TiO2 and SnO2 nanocrystals with an outer carbon coating has been fabricated by a well-designed approach. Thanks to the perfectly combined action of porous spherical nanostructure, TiO2 and SnO2 nanocrystals and carbon coating, the as-prepared composite obtains excellent structure stability and improved electrochemcial properties. When used as a promising anode for lithium-ion batteres, it exhibits outstanding lithium storage performance, delivering a high capacity of 687.2 mAh g-1 after even 400 cycles.

Sandwich-like MoS2 @SnO2 @C with High Capacity and Stability for Sodium/Potassium Ion Batteries.

PubMed

Chen, Zhi; Yin, Dangui; Zhang, Ming

2018-04-01

Sandwich-like MoS 2 @SnO 2 @C nanosheets are prepared by facile hydrothermal reactions. SnO 2 nanosheets can attach to exfoliated MoS 2 nanosheets to prevent restacking of adjacent MoS 2 nanosheets, and carbon transformed from polyvinylpyrrolidone is coated on MoS 2 @SnO 2 , forming a sandwich structure to maintain cycling stability. As an anode for sodium-ion batteries, the electrode greatly deliverers a high initial discharge specific capacity of 530 mA h g -1 and maintains at 396 mA h g -1 after 150 cycles at 0.1 A g -1 . Even at a large current density of 1 A g -1 , it can hold 230 mA h g -1 after 450 cycles. Besides, as an anode for K + storage, the electrode also shows a discharge capacity of 312 mA h g -1 after 25 cycles at 0.05 A g -1 . This work may provide a new strategy to prepare other composites which can be applied to new kind of rechargeable batteries. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

The maximum water storage capacities in nominally anhydrous minerals in the mantle transition zone and lower mantle

NASA Astrophysics Data System (ADS)

Inoue, T.; Yurimoto, H.

2012-12-01

Water is the most important volatile component in the Earth, and affects the physicochemical properties of mantle minerals, e.g. density, elastic property, electrical conductivity, thermal conductivity, rheological property, melting temperature, melt composition, element partitioning, etc. So many high pressure experiments have been conducted so far to determine the effect of water on mantle minerals. To clarify the maximum water storage capacity in nominally anhydrous mantle minerals in the mantle transition zone and lower mantle is an important issue to discuss the possibility of the existence of water reservoir in the Earth mantle. So we have been clarifying the maximum water storage capacity in mantle minerals using MA-8 type (KAWAI-type) high pressure apparatus and SIMS (secondary ion mass spectroscopy). Upper mantle mineral, olivine can contain ~0.9 wt% H2O in the condition just above 410 km discontinuity in maximum (e.g. Chen et al., 2002; Smyth et al., 2006). On the other hand, mantle transition zone mineral, wadsleyite and ringwoodite can contain significant amount (about 2-3 wt.%) of H2O (e.g. Inoue et al., 1995, 1998, 2010; Kawamoto et al., 1996; Ohtani et al., 2000). But the lower mantle mineral, perovskite can not contain significant amount of H2O, less than ~0.1 wt% (e.g. Murakami et al., 2002; Inoue et al., 2010). In addition, garnet and stishovite also can not contain significant amount of H2O (e.g. Katayama et al., 2003; Mookherjee and Karato, 2010; Litasov et al., 2007). On the other hand, the water storage capacities of mantle minerals are supposed to be significantly coupled with Al by a substitution with Mg2+, Si4+ or Mg2+ + Si4+, because Al3+ is the trivalent cation, and H+ is the monovalent cation. To clarify the degree of the substitution, the water contents and the chemical compositions of Al-bearing minerals in the mantle transition zone and the lower mantle were also determined in the Al-bearing systems with H2O. We will introduce the

The H{sub 60}Si{sub 6}C{sub 54} heterofullerene as high-capacity hydrogen storage medium

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yong, Yongliang, E-mail: ylyong@haust.edu.cn; Department of Physics, Zhejiang University, Hangzhou 310027; Zhou, Qingxiao

2016-07-15

With the great success in Si atoms doped C{sub 60} fullerene and the well-established methods for synthesis of hydrogenated carbon fullerenes, this leads naturally to wonder whether Si-doped fullerenes are possible for special applications such as hydrogen storage. Here by using first-principles calculations, we design a novel high-capacity hydrogen storage material, H{sub 60}Si{sub 6}C{sub 54} heterofullerene, and confirm its geometric stability. It is found that the H{sub 60}Si{sub 6}C{sub 54} heterofullerene has a large HOMO-LUMO gap and a high symmetry, indicating it is high chemically stable. Further, our finite temperature simulations indicate that the H{sub 60}Si{sub 6}C{sub 54} heterofullerene ismore » thermally stable at 300 K. H{sub 2} molecules would enter into the cage from the Si-hexagon ring because of lower energy barrier. Through our calculation, a maximum of 21 H{sub 2} molecules can be stored inside the H{sub 60}Si{sub 6}C{sub 54} cage in molecular form, leading to a gravimetric density of 11.11 wt% for 21H{sub 2}@H{sub 60}Si{sub 6}C{sub 54} system, which suggests that the hydrogenated Si{sub 6}C{sub 54} heterofullerene could be suitable as a high-capacity hydrogen storage material.« less

Predicting possible effects of H2S impurity on CO2 transportation and geological storage.

PubMed

Ji, Xiaoyan; Zhu, Chen

2013-01-02

For CO(2) geological storage, permitting impurities, such as H(2)S, in CO(2) streams can lead to a great potential for capital and energy savings for CO(2) capture and separation, but it also increases costs and risk management for transportation and storage. To evaluate the cost-benefits, using a recently developed model (Ji, X.; Zhu, C. Geochim. Cosmochim. Acta 2012, 91, 40-59), this study predicts phase equilibria and thermodynamic properties of the system H(2)S-CO(2)-H(2)O-NaCl under transportation and storage conditions and discusses potential effects of H(2)S on transportation and storage. The prediction shows that inclusion of H(2)S in CO(2) streams may lead to two-phase flow. For H(2)S-CO(2) mixtures, at a given temperature, the bubble and dew pressures decrease with increasing H(2)S content, while the mass density increases at low pressures and decreases at high pressures. For the CO(2)-H(2)S-H(2)O system, the total gas solubility increases while the mass density of the aqueous solution with dissolved gas decreases. For the CO(2)-H(2)S-H(2)O-NaCl system, at a given temperature, pressure and NaCl concentration, the solubility of the gas mixture in aqueous phase increases with increasing H(2)S content and then decreases, while the mass density of aqueous solution decreases and may be lower than the mass density of the solution without gas dissolution.

Ultrafine Nanocrystalline CeO2@C-Containing NaAlH4 with Fast Kinetics and Good Reversibility for Hydrogen Storage.

PubMed

Zhang, Xin; Liu, Yongfeng; Wang, Ke; Li, You; Gao, Mingxia; Pan, Hongge

2015-12-21

A nanocrystalline CeO2@C-containing NaAlH4 composite is successfully synthesized in situ by hydrogenating a NaH-Al mixture doped with CeO2@C. Compared with NaAlH4 , the as-prepared CeO2@C-containing NaAlH4 composite, with a minor amount of excess Al, exhibits significantly improved hydrogen storage properties. The dehydrogenation onset temperature of the hydrogenated [NaH-Al-7 wt % CeO2@C]-0.04Al sample is 77 °C lower than that of the pristine sample because of a reduced kinetic barrier. More importantly, the dehydrogenated sample absorbs ∼4.7 wt % hydrogen within 35 min at 100°C and 10 MPa of hydrogen. Compositional and structural analyses reveal that CeO2 is converted to CeH2 during ball milling and that the newly formed CeH2 works with the excess of Al to synergistically improve the hydrogen storage properties of NaAlH4. Our findings will aid in the rational design of novel catalyst-doped complex hydride systems with low operating temperatures, fast kinetics, and long-term cyclability. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Superior cycle performance and high reversible capacity of SnO2/graphene composite as an anode material for lithium-ion batteries

NASA Astrophysics Data System (ADS)

Liu, Lilai; An, Maozhong; Yang, Peixia; Zhang, Jinqiu

2015-03-01

SnO2/graphene composite with superior cycle performance and high reversible capacity was prepared by a one-step microwave-hydrothermal method using a microwave reaction system. The SnO2/graphene composite was characterized by X-ray diffraction, thermogravimetric analysis, Fourier-transform infrared spectroscopy, Raman spectroscopy, scanning electron microscope, X-ray photoelectron spectroscopy, transmission electron microscopy and high resolution transmission electron microscopy. The size of SnO2 grains deposited on graphene sheets is less than 3.5 nm. The SnO2/graphene composite exhibits high capacity and excellent electrochemical performance in lithium-ion batteries. The first discharge and charge capacities at a current density of 100 mA g-1 are 2213 and 1402 mA h g-1 with coulomb efficiencies of 63.35%. The discharge specific capacities remains 1359, 1228, 1090 and 1005 mA h g-1 after 100 cycles at current densities of 100, 300, 500 and 700 mA g-1, respectively. Even at a high current density of 1000 mA g-1, the first discharge and charge capacities are 1502 and 876 mA h g-1, and the discharge specific capacities remains 1057 and 677 mA h g-1 after 420 and 1000 cycles, respectively. The SnO2/graphene composite demonstrates a stable cycle performance and high reversible capacity for lithium storage.

Equilibrium oxygen storage capacity of ultrathin CeO 2-δ depends non-monotonically on large biaxial strain

DOE PAGES

Gopal, Chirranjeevi Balaji; Garcia-Melchor, Max; Lee, Sang Chul; ...

2017-05-18

Elastic strain is being increasingly employed to enhance the catalytic properties of mixed ion–electron conducting oxides. However, its effect on oxygen storage capacity is not well established. Here, we fabricate ultrathin, coherently strained films of CeO 2-δ between 5.6% biaxial compression and 2.1% tension. In situ ambient pressure X-ray photoelectron spectroscopy reveals up to a fourfold enhancement in equilibrium oxygen storage capacity under both compression and tension. This non-monotonic variation with strain departs from the conventional wisdom based on a chemical expansion dominated behaviour. Through depth profiling, film thickness variations and a coupled photoemission–thermodynamic analysis of space-charge effects, we showmore » that the enhanced reducibility is not dominated by interfacial effects. On the basis of ab initio calculations of oxygen vacancy formation incorporating defect interactions and vibrational contributions, we suggest that the non-monotonicity arises from the tetragonal distortion under large biaxial strain. Finally, these results may guide the rational engineering of multilayer and core–shell oxide nanomaterials.« less

Cd2SiO4/Graphene nanocomposite: Ultrasonic assisted synthesis, characterization and electrochemical hydrogen storage application.

PubMed

Masjedi-Arani, Maryam; Salavati-Niasari, Masoud

2018-05-01

For the first time, a simple and rapid sonochemical technique for preparing of pure Cd 2 SiO 4 nanostructures has been developed in presence of various surfactants of SDS, CTAB and PVP. Uniform and fine Cd 2 SiO 4 nanoparticle was synthesized using of polymeric PVP surfactant and ultrasonic irradiation. The optimized cadmium silicate nanostructures added to graphene sheets and Cd 2 SiO 4 /Graphene nanocomposite synthesized through pre-graphenization. Hydrogen storage capacity performances of Cd 2 SiO 4 nanoparticle and Cd 2 SiO 4 /Graphene nanocomposite were compared. Obtained results represent that Cd 2 SiO 4 /Graphene nanocomposites have higher hydrogen storage capacity than Cd 2 SiO 4 nanoparticles. Cd 2 SiO 4 /Graphene nanocomposites and Cd 2 SiO 4 nanoparticles show hydrogen storage capacity of 3300 and 1300 mAh/g, respectively. Copyright © 2018 Elsevier B.V. All rights reserved.

Biphase Cobalt-Manganese Oxide with High Capacity and Rate Performance for Aqueous Sodium-Ion Electrochemical Energy Storage

DOE PAGES

Shan, Xiaoqiang; Charles, Daniel S.; Xu, Wenqian; ...

2017-11-22

Manganese-based metal oxide electrode materials are of great importance in electrochemical energy storage for their favorable redox behavior, low cost and environmental-friendliness. However, their storage capacity and cycle life in aqueous Na-ion electrolytes is not satisfactory. In this paper, we report the development of a bi-phase cobalt-manganese oxide (Co-Mn-O) nanostructured electrode material, comprised of a layered MnO 2.H 2O birnessite phase and a (Co 0.83Mn 0.13Va 0.04)tetra(Co 0.38Mn 1.62) octaO 3.72 (Va: vacancy; tetra: tetrahedral sites; octa: octahedral sites) spinel phase, verified by neutron total scattering and pair distribution function analyses. The bi-phase Co-Mn-O material demonstrates an excellent storage capacitymore » towards Na-ions in an aqueous electrolyte (121 mA h g -1 at a scan rate of 1 mV s -1 in the half-cell and 81 mA h g -1 at a current density of 2 A g -1 after 5000 cycles in full-cells), as well as high rate performance (57 mA h g -1 a rate of 360 C). Electro-kinetic analysis and in situ X-ray diffraction measurements further confirm that the synergistic interaction between the spinel and layered phases, as well as the vacancy of the tetrahedral sites of spinel phase, contribute to the improved capacity and rate performance of the Co-Mn-O material by facilitating both diffusion-limited redox and capacitive charge storage processes.« less

Biphase Cobalt-Manganese Oxide with High Capacity and Rate Performance for Aqueous Sodium-Ion Electrochemical Energy Storage

DOE Office of Scientific and Technical Information (OSTI.GOV)

Shan, Xiaoqiang; Charles, Daniel S.; Xu, Wenqian

Manganese-based metal oxide electrode materials are of great importance in electrochemical energy storage for their favorable redox behavior, low cost and environmental-friendliness. However, their storage capacity and cycle life in aqueous Na-ion electrolytes is not satisfactory. In this paper, we report the development of a bi-phase cobalt-manganese oxide (Co-Mn-O) nanostructured electrode material, comprised of a layered MnO 2.H 2O birnessite phase and a (Co 0.83Mn 0.13Va 0.04)tetra(Co 0.38Mn 1.62) octaO 3.72 (Va: vacancy; tetra: tetrahedral sites; octa: octahedral sites) spinel phase, verified by neutron total scattering and pair distribution function analyses. The bi-phase Co-Mn-O material demonstrates an excellent storage capacitymore » towards Na-ions in an aqueous electrolyte (121 mA h g -1 at a scan rate of 1 mV s -1 in the half-cell and 81 mA h g -1 at a current density of 2 A g -1 after 5000 cycles in full-cells), as well as high rate performance (57 mA h g -1 a rate of 360 C). Electro-kinetic analysis and in situ X-ray diffraction measurements further confirm that the synergistic interaction between the spinel and layered phases, as well as the vacancy of the tetrahedral sites of spinel phase, contribute to the improved capacity and rate performance of the Co-Mn-O material by facilitating both diffusion-limited redox and capacitive charge storage processes.« less

Superior cycle performance and high reversible capacity of SnO2/graphene composite as an anode material for lithium-ion batteries

PubMed Central

Liu, Lilai; An, Maozhong; Yang, Peixia; Zhang, Jinqiu

2015-01-01

SnO2/graphene composite with superior cycle performance and high reversible capacity was prepared by a one-step microwave-hydrothermal method using a microwave reaction system. The SnO2/graphene composite was characterized by X-ray diffraction, thermogravimetric analysis, Fourier-transform infrared spectroscopy, Raman spectroscopy, scanning electron microscope, X-ray photoelectron spectroscopy, transmission electron microscopy and high resolution transmission electron microscopy. The size of SnO2 grains deposited on graphene sheets is less than 3.5 nm. The SnO2/graphene composite exhibits high capacity and excellent electrochemical performance in lithium-ion batteries. The first discharge and charge capacities at a current density of 100 mA g−1 are 2213 and 1402 mA h g−1 with coulomb efficiencies of 63.35%. The discharge specific capacities remains 1359, 1228, 1090 and 1005 mA h g−1 after 100 cycles at current densities of 100, 300, 500 and 700 mA g−1, respectively. Even at a high current density of 1000 mA g−1, the first discharge and charge capacities are 1502 and 876 mA h g−1, and the discharge specific capacities remains 1057 and 677 mA h g−1 after 420 and 1000 cycles, respectively. The SnO2/graphene composite demonstrates a stable cycle performance and high reversible capacity for lithium storage. PMID:25761938

Improved hydrogen storage properties of MgH2 catalyzed with TiO2

NASA Astrophysics Data System (ADS)

Jangir, Mukesh; Meena, Priyanka; Jain, I. P.

2018-05-01

In order to improve the hydrogenation properties of the MgH2, various concentration of rutile Titanium Oxide (TiO2) (X wt%= 5, 10, 15 wt %) is added to MgH2 by ball milling and the catalytic effect of TiO2 on hydriding/dehydriding properties of MgH2 has been investigated. Result shows that the TiO2 significantly reduced onset temperature of desorption. Onset temperature as low as 190 °C were observed for the MgH2-15 wt% TiO2 sample which is 60 °C and 160 °C lower than the as-milled and as-received MgH2. Fromm the Kissinger plot the activation energy of 15 wt% TiO2 added sample is calculated to be -75.48 KJ/mol. These results indicate that the hydrogenation properties of MgH2-TiO2 have been improved compared to the as-milled and as-received MgH2. Furthermore, XRD and XPS were performed to characterize the structural evolution upon milling and dehydrogenation.

Canopy storage capacity of xerophytic shrubs in Northwestern China

NASA Astrophysics Data System (ADS)

Wang, Xin-ping; Zhang, Ya-feng; Hu, Rui; Pan, Yan-xia; Berndtsson, Ronny

2012-08-01

0.73 g g-1 (range of 0.38-1.05 g g-1) for C. korshinskii, H. scoparium, and A. ordosica, respectively, when the rainfall intensities ranged from 1.15, 2.31, 3.46, 4.61, 6.92, 9.23 to 11.53 mm h-1. The needle-leaved species A. ordosica had a higher canopy water storage capacity than the ovate-leaved species C. korshinskii and H. scoparium at the same magnitude of rainfall intensity, except for C. korshinskii when it was expressed in unit of canopy projection area. Consequently, A. ordosica will generate higher interception losses as compared to C. korshinskii and H. scoparium. This is especially the case as it often forms dense dwarf shrub communities despite its small size.

Enhanced lithium storage in Fe2O3-SnO2-C nanocomposite anode with a breathable structure

NASA Astrophysics Data System (ADS)

Rahman, Md Mokhlesur; Glushenkov, Alexey M.; Ramireddy, Thrinathreddy; Tao, Tao; Chen, Ying

2013-05-01

A novel nanocomposite architecture of a Fe2O3-SnO2-C anode, based on clusters of Fe2O3 and SnO2 nanoparticles dispersed along the conductive chains of Super P Li™ carbon black (Timcal Ltd.), is presented as a breathable structure in this paper for lithium-ion batteries. The synthesis of the nanocomposite is achieved by combining a molten salt precipitation process and a ball milling method for the first time. The crystalline structure, morphology, and electrochemical characterization of the synthesised product are investigated systematically. Electrochemical results demonstrate that the reversible capacity of the composite anode is 1110 mA h g-1 at a current rate of 158 mA g-1 with only 31% of initial irreversible capacity in the first cycle. A high reversible capacity of 502 mA h g-1 (higher than the theoretical capacity of graphite, ~372 mA h g-1) can be obtained at a high current rate of 3950 mA g-1. The electrochemical performance is compared favourably with those of Fe2O3-SnO2 and Fe2O3-SnO2-C composite anodes for lithium-ion batteries reported in the literature. This work reports a promising method for the design and preparation of nanocomposite electrodes for lithium-ion batteries.A novel nanocomposite architecture of a Fe2O3-SnO2-C anode, based on clusters of Fe2O3 and SnO2 nanoparticles dispersed along the conductive chains of Super P Li™ carbon black (Timcal Ltd.), is presented as a breathable structure in this paper for lithium-ion batteries. The synthesis of the nanocomposite is achieved by combining a molten salt precipitation process and a ball milling method for the first time. The crystalline structure, morphology, and electrochemical characterization of the synthesised product are investigated systematically. Electrochemical results demonstrate that the reversible capacity of the composite anode is 1110 mA h g-1 at a current rate of 158 mA g-1 with only 31% of initial irreversible capacity in the first cycle. A high reversible capacity of 502 m

A novel highly efficient adsorbent {[Co4(L)2(μ3-OH)2(H2O)3(4,4‧-bipy)2]·(H2O)2}n: Synthesis, crystal structure, magnetic and arsenic (V) absorption capacity

NASA Astrophysics Data System (ADS)

Zhang, Chong; Xiao, Yu; Qin, Yan; Sun, Quanchun; Zhang, Shuhua

2018-05-01

A novel highly efficient adsorbent-microporous tetranuclear Co(II)-based polymer, {[Co4(L)2(μ3-OH)2(H2O)3(4,4‧-bipy)2]·(H2O)2}n (1, H3L = 4-(N,N‧-bis(4-carboxybenzyl)amino) benzenesulfonic acid, 4,4‧-bipy = 4,4‧-bipyridine), was hydrothermally synthesized. The complex 1 is a metal-organic framework (MOF) material which was characterized by single-crystal X-ray diffraction, BET and platon software. Co-MOF (complex 1) reveals excellent adsorption property. The capacity of Co-MOF to remove arsenic As(V) from sodium arsenate aqueous solutions was investigated (The form of As(V) is AsO43-). The experimental results showed that Co-MOF had a higher stable and relatively high As(V) removal rate (> 98%) at pH 4-10. The adsorption kinetics followed a pseudo-second-order kinetic model, and the adsorption isotherm followed the Langmuir equation. Co-MOF exhibits a very high adsorption capacity of As(V) in aqueous solution (Qmax of 96.08 mg/g). Finally, the optimal adsorption conditions for the model were obtained through a Box-Behnken response surface experiment which was designed with adsorption time, dose, temperature and rotational speed of the shaker as the influencing factors to determine two-factor interaction effects. Co-MOF was further characterized using FTIR, PXRD, X-ray photoelectron spectroscopy before and after adsorption As (V). The magnetism of Co-MOF was also discussed.

Capacity enhancement of aqueous borohydride fuels for hydrogen storage in liquids

DOE Office of Scientific and Technical Information (OSTI.GOV)

Schubert, David; Neiner, Doinita; Bowden, Mark

2015-10-01

In this work we demonstrate enhanced hydrogen storage capacities through increased solubility of sodium borate product species in aqueous media achieved by adjusting the sodium (NaOH) to boron (B(OH) 3) ratio, i.e., M/B, to obtain a distribution of polyborate anions. For a 1:1 mole ratio of NaOH to B(OH) 3, M/B = 1, the ratio of the hydrolysis product formed from NaBH 4 hydrolysis, the sole borate species formed and observed by 11B NMR is sodium metaborate, NaB(OH) 4. When the ratio is 1:3 NaOH to B(OH) 3, M/B = 0.33, a mixture of borate anions is formed and observedmore » as a broad peak in the 11B NMR spectrum. The complex polyborate mixture yields a metastable solution that is difficult to crystallize. Given the enhanced solubility of the polyborate mixture formed when M/B = 0.33 it should follow that the hydrolysis of sodium octahydrotriborate, NaB 3H 8, can provide a greater storage capacity of hydrogen for fuel cell applications compared to sodium borohydride while maintaining a single phase. Accordingly, the hydrolysis of a 23 wt% NaB 3H 8 solution in water yields a solution having the same complex polyborate mixture as formed by mixing a 1:3 molar ratio of NaOH and B(OH) 3 and releases >8 eq of H 2. By optimizing the M/B ratio a complex mixture of soluble products, including B 3O 3(OH) 5 2-, B 4O 5(OH) 4 2-, B 3O 3(OH) 4-, B 5O 6(OH) 4- and B(OH) 3, can be maintained as a single liquid phase throughout the hydrogen release process. Consequently, hydrolysis of NaB 3H 8 can provide a 40% increase in H 2 storage density compared to the hydrolysis of NaBH 4 given the decreased solubility of sodium metaborate. The authors would like to thank Jim Sisco and Paul Osenar of Protonex Inc. for useful discussion regarding liquid hydrogen storage materials for portable power applications and the U.S. DoE Office of Energy Efficiency and Renewable Energy Fuel Cell Technologies Office for their continued interest in liquid hydrogen storage carriers. Pacific Northwest

Photolysis of H2O-H2O2 Mixtures: The Destruction of H2O2

NASA Technical Reports Server (NTRS)

Loeffler, M. J.; Fama, M.; Baragiola, R. A.; Carlson, R. W.

2013-01-01

We present laboratory results on the loss of H2O2 in solid H2O + H2O2 mixtures at temperatures between 21 and 145 K initiated by UV photolysis (193 nm). Using infrared spectroscopy and microbalance gravimetry, we measured the decrease of the 3.5 micrometer infrared absorption band during UV irradiation and obtained a photodestruction cross section that varies with temperature, being lowest at 70 K. We use our results, along with our previously measured H2O2 production rates via ionizing radiation and ion energy fluxes from the spacecraft to compare H2O2 creation and destruction at icy satellites by ions from their planetary magnetosphere and from solar UV photons. We conclude that, in many cases, H2O2 is not observed on icy satellite surfaces because the H2O2 photodestruction rate is much higher than the production rate via energetic particles, effectively keeping the H2O2 infrared signature at or below the noise level.

Improved Li storage performance in SnO 2 nanocrystals by a synergetic doping

DOE PAGES

Wan, Ning; Lu, Xia; Wang, Yuesheng; ...

2016-01-06

Tin dioxide (SnO 2) is a widely investigated lithium (Li) storage material because of its easy preparation, two-step storage mechanism and high specific capacity for lithium-ion batteries (LIBs). In this contribution, a phase-pure cobalt-doped SnO 2 (Co/SnO 2) and a cobalt and nitrogen co-doped SnO 2 (Co-N/SnO 2) nanocrystals are prepared to explore their Li storage behaviors. It is found that the morphology, specific surface area, and electrochemical properties could be largely modulated in the doped and co-doped SnO 2 nanocrystals. Gavalnostatic cycling results indicate that the Co-N/SnO 2 electrode delivers a specific capacity as high as 716 mAh gmore » –1 after 50 cycles, and the same outstanding rate performance can be observed in subsequent cycles due to the ionic/electronic conductivity enhancement by co-doping effect. Further, microstructure observation indicates the existence of intermediate phase of Li 3N with high ionic conductivity upon cycling, which probably accounts for the improvements of Co-N/SnO 2 electrodes. Furthermore, we find that the method of synergetic doping into SnO 2 with Co and N, with which the electrochemical performances is enhanced remarkably, undoubtedly, will have an important influence on the material itself and community of LIBs as well.« less

CO2 storage capacity estimation: Issues and development of standards

USGS Publications Warehouse

Bradshaw, J.; Bachu, S.; Bonijoly, D.; Burruss, R.; Holloway, S.; Christensen, N.P.; Mathiassen, O.M.

2007-01-01

Associated with the endeavours of geoscientists to pursue the promise that geological storage of CO2 has of potentially making deep cuts into greenhouse gas emissions, Governments around the world are dependent on reliable estimates of CO2 storage capacity and insightful indications of the viability of geological storage in their respective jurisdictions. Similarly, industry needs reliable estimates for business decisions regarding site selection and development. If such estimates are unreliable, and decisions are made based on poor advice, then valuable resources and time could be wasted. Policies that have been put in place to address CO2 emissions could be jeopardised. Estimates need to clearly state the limitations that existed (data, time, knowledge) at the time of making the assessment and indicate the purpose and future use to which the estimates should be applied. A set of guidelines for estimation of storage capacity will greatly assist future deliberations by government and industry on the appropriateness of geological storage of CO2 in different geological settings and political jurisdictions. This work has been initiated under the auspices of the Carbon Sequestration Leadership Forum (www.cslforum.org), and it is intended that it will be an ongoing taskforce to further examine issues associated with storage capacity estimation. Crown Copyright ?? 2007.

HF/H2O2 treated graphite felt as the positive electrode for vanadium redox flow battery

NASA Astrophysics Data System (ADS)

He, Zhangxing; Jiang, Yingqiao; Meng, Wei; Jiang, Fengyun; Zhou, Huizhu; Li, Yuehua; Zhu, Jing; Wang, Ling; Dai, Lei

2017-11-01

In order to improve the electrochemical performance of the positive graphite felt electrode in vanadium flow redox battery, a novel method is developed to effectively modify the graphite felt by combination of etching of HF and oxidation of H2O2. After the etching of HF for the graphite felt at ambient temperature, abundant oxygen-containing functional groups were further introduced on the surface of graphite felt by hydrothermal treatment using H2O2 as oxidant. Benefiting from the surface etching and introduction of functional groups, mass transfer and electrode process can be improved significantly on the surface of graphite felt. VO2+/VO2+ redox reaction on the graphite felt modified by HF and H2O2 jointly (denote: GF-HF/H2O2) exhibits superior electrochemical kinetics in comparison with the graphite felt modified by single HF or H2O2 treatment. The cell using GF-HF/H2O2 as the positive electrode was assembled and its electrochemical properties were evaluated. The increase of energy efficiency of 4.1% for GF-HF/H2O2 at a current density of 50 mA cm-2 was obtained compared with the pristine graphite felt. The cell using GF-HF/H2O2 also demonstrated higher discharge capacity. Our study revealed that HF/H2O2 treatment is an efficient method to enhance the electrochemical performance of graphite felt, further improving the comprehensive energy storage performance of the vanadium flow redox battery.

Improving the sodium storage capacity of tunnel structured NaxFexTi2-xO4 (x = 1, 0.9 & 0.8) anode materials by tuning sodium deficiency

NASA Astrophysics Data System (ADS)

Bhange, Deu S.; Ali, Ghulam; Kim, Ji-Young; Chung, Kyung Yoon; Nam, Kyung-Wan

2017-10-01

Due to their abundance and environmentally benign nature, iron and titanium present as the most attractive potential elements for use in rechargeable sodium-ion batteries (SIBs). Accordingly, two structurally different Fe and Ti based compounds, stoichiometric NaFeTiO4 and sodium deficient NaxFexTi2-xO4 (where x = 0.9, and 0.8), are explored as anode materials for SIBs. Their structure and sodium storage capacity are systematically investigated by using combined structural and electrochemical analysis. Rietveld refinement analysis reveals that the sodium deficiency leads to the structural transformation from a single-tunnel structure (NaFeTiO4) to a zigzag-type double-tunnel structure (Na0.9Fe0.9Ti1.1O4 and Na0.8Fe0.8Ti1.2O4). The series of sodium deficient compounds bears systematic sodium ion vacancies in their structure up to 20%. Sodium deficiency in the NaxFexTi2-xO4 logically provides additional space for accommodating the excess sodium ions as such the NaxFexTi2-xO4 compounds with higher level of sodium deficiency show higher specific capacities than the stoichiometric NaFeTiO4. All the compounds exhibited very good electrochemical cycling stability, with minimal capacity loss during cycling. The present approach is a model example of improvement in the sodium storage capacity of the anode materials by tuning the chemical composition, and could facilitate the performance improvement of known or new electrode materials for SIBs.

Capacity retention in hydrogen storage alloys

NASA Technical Reports Server (NTRS)

Anani, A.; Visintin, A.; Srinivasan, S.; Appleby, A. J.; Reilly, J. J.; Johnson, J. R.

1992-01-01

Results of our examination of the properties of several candidate materials for hydrogen storage electrodes and their relation to the decrease in H-storage capacity upon open-circuit storage over time are reported. In some of the alloy samples examined to date, only about 10 percent of the hydrogen capacity was lost upon storage for 20 days, while in others, this number was as high as 30 percent for the same period of time. This loss in capacity is attributed to two separate mechanisms: (1) hydrogen desorbed from the electrode due to pressure differences between the cell and the electrode sample; and (2) chemical and/or electrochemical degradation of the alloy electrode upon exposure to the cell environment. The former process is a direct consequence of the equilibrium dissociation pressure of the hydride alloy phase and the partial pressure of hydrogen in the hydride phase in equilibrium with that in the electrolyte environment, while the latter is related to the stability of the alloy phase in the cell environment. Comparison of the equilibrium gas-phase dissociation pressures of these alloys indicate that reversible loss of hydrogen capacity is higher in alloys with P(eqm) greater than 1 atm than in those with P(eqm) less than 1 atm.

Sc-Decorated Porous Graphene for High-Capacity Hydrogen Storage: First-Principles Calculations

PubMed Central

Chen, Yuhong; Wang, Jing; Yuan, Lihua; Zhang, Meiling

2017-01-01

The generalized gradient approximation (GGA) function based on density functional theory is adopted to investigate the optimized geometrical structure, electron structure and hydrogen storage performance of Sc modified porous graphene (PG). It is found that the carbon ring center is the most stable adsorbed position for a single Sc atom on PG, and the maximum number of adsorbed H2 molecules is four with the average adsorption energy of −0.429 eV/H2. By adding a second Sc atom on the other side of the system, the hydrogen storage capacity of the system can be improved effectively. Two Sc atoms located on opposite sides of the PG carbon ring center hole is the most suitable hydrogen storage structure, and the hydrogen storage capacity reach a maximum 9.09 wt % at the average adsorption energy of −0.296 eV/H2. The adsorption of H2 molecules in the PG system is mainly attributed to orbital hybridization among H, Sc, and C atoms, and Coulomb attraction between negatively charged H2 molecules and positively charged Sc atoms. PMID:28767084

Carbon-Confined SnO2-Electrodeposited Porous Carbon Nanofiber Composite as High-Capacity Sodium-Ion Battery Anode Material.

PubMed

Dirican, Mahmut; Lu, Yao; Ge, Yeqian; Yildiz, Ozkan; Zhang, Xiangwu

2015-08-26

Sodium resources are inexpensive and abundant, and hence, sodium-ion batteries are promising alternative to lithium-ion batteries. However, lower energy density and poor cycling stability of current sodium-ion batteries prevent their practical implementation for future smart power grid and stationary storage applications. Tin oxides (SnO2) can be potentially used as a high-capacity anode material for future sodium-ion batteries, and they have the advantages of high sodium storage capacity, high abundance, and low toxicity. However, SnO2-based anodes still cannot be used in practical sodium-ion batteries because they experience large volume changes during repetitive charge and discharge cycles. Such large volume changes lead to severe pulverization of the active material and loss of electrical contact between the SnO2 and carbon conductor, which in turn result in rapid capacity loss during cycling. Here, we introduce a new amorphous carbon-coated SnO2-electrodeposited porous carbon nanofiber (PCNF@SnO2@C) composite that not only has high sodium storage capability, but also maintains its structural integrity while ongoing repetitive cycles. Electrochemical results revealed that this SnO2-containing nanofiber composite anode had excellent electrochemical performance including high-capacity (374 mAh g(-1)), good capacity retention (82.7%), and large Coulombic efficiency (98.9% after 100th cycle).

Low Temperature Synthesized H2Ti3O7 Nanotubes with a High CO2 Adsorption Property by Amine Modification.

PubMed

Ota, Misaki; Hirota, Yuichiro; Uchida, Yoshiaki; Sakamoto, Yasuhiro; Nishiyama, Norikazu

2018-06-12

Carbon dioxide (CO 2 ) capture and storage (CCS) technologies have been attracting attention in terms of tackling with global warming. To date, various CO 2 capture technologies including solvents, membranes, cryogenics, and solid adsorbents have been proposed. Currently, a liquid adsorption method for CO 2 using amine solution (monoethanolamine) has been practically used. However, this liquid phase CO 2 adsorption process requires heat regeneration, and it can cause many problems such as corrosion of equipment and degradation of the solution. Meanwhile, solid adsorption methods using porous materials are more advantageous over the liquid method at these points. In this context, we here evaluated if hydrogen titanate (H 2 Ti 3 O 7 ) nanotubes and the surface modification effectively capture CO 2 . For this aim, we first developed a facile synthesis method of H 2 Ti 3 O 7 nanotubes different from any conventional methods. Briefly, they were converted from the precursors-amorphous TiO 2 nanoparticles at room temperature (25 °C). We then determined the outer and the inner diameters of the H 2 Ti 3 O 7 nanotubes as 3.0 and 0.7 nm, respectively. It revealed that both values were much smaller than the reported ones; thus the specific surface area showed the highest value (735 m 2 /g). Next, the outer surface of H 2 Ti 3 O 7 nanotubes was modified using ethylenediamine to examine if CO 2 adsorption capacity increases. The ethylendiamine-modified H 2 Ti 3 O 7 nanotubes showed a higher CO 2 adsorption capacity (50 cm 3 /g at 0 °C, 100 kPa). We finally concluded that the higher CO 2 adsorption capacity could be explained, not only by the high specific surface area of the nanotubes but also by tripartite hydrogen bonding interactions among amines, CO 2 , and OH groups on the surface of H 2 Ti 3 O 7 .

Dietary Probiotic Bacillus subtilis Strain fmbj Increases Antioxidant Capacity and Oxidative Stability of Chicken Breast Meat during Storage

PubMed Central

Bai, Wen Kai; Zhang, Fei Jing; He, Tian Jin; Su, Peng Wei; Ying, Xiong Zhi; Zhang, Li Li; Wang, Tian

2016-01-01

This study was aimed to measure the dietary effects of probiotic Bacillus subtilis strain fmbj (BS fmbj) on antioxidant capacity and oxidative stability of chicken breast meat during storage. Treatment groups were fed the basal diet with BS fmbj at 0 g/kg (CON), 0.2 g/kg (BS-1), 0.3 g/kg (BS-2), or 0.4 g/kg (BS-3) doses without antibiotics. During 8 days of storage at 4°C, BS-2 group showed a significant improvement (P < 0.05) on meat quality (pH, Drip loss, Cooking loss, Shear force, color L*, a*, b*), free radical scavenging activity (DPPH, ABTS+, H2O2), tissues antioxidant enzyme capacity (SOD, CAT, GSH-Px, GSH, T-SH), mitochondria antioxidant enzyme capacity (MnSOD, GPx, GSH), mRNA expression of antioxidant genes (Nrf2, HO-1, SOD, CAT, GSH-Px) and mitochondrial function genes (avUCP, NRF1, NRF2, TFAM, PGC-1α), oxidative damage index (MDA, ROS, PC, 8-OHdG), and MMP level in chicken breast meat as compared to the CON group. These results indicate that dietary BS fmbj in broiler diets can protect breast meat against the storage-induced oxidative stress by improving their free radical scavenging capacity and antioxidant activity during 8 days of storage at 4°C. PMID:27907152

Tetrahedral silsesquioxane-C2H2Ti complex for hydrogen storage

NASA Astrophysics Data System (ADS)

Konda, Ravinder; Tavhare, Priyanka; Ingale, Nilesh; Chaudhari, Ajay

2018-04-01

The interaction of molecular hydrogen with tetrahedral silsesquioxane (T4)-C2H2Ti complex has been studied using Density Functional Theory with M06-2X functional and MP2 method with 6-311++G** basis set. T4-C2H2Ti complex can absorb maximum five hydrogen molecules with the gravimetric hydrogen storage capacity of 3.4 wt %. Adsorption energy calculations show that H2 adsorption on T4-C2H2Ti complex is favorable at room temperature by both the methods. We have studied the effect of temperature and pressure on Gibbs free energy corrected adsorption energies. Molecular dynamics simulations for H2 adsorbed T4-C2H2Ti complex have also been performed at 300K and show that loosely bonded H2 molecule flies away within 1fs. Various interaction energies within the complex are studied. Stability of a complex is predicted by means of a gap between Highest Occupied Molecular Orbital (HUMO) and Lowest Unoccupied Molecular Orbital (LUMO). The H2 desorption temperature for T4-C2H2Ti complex is calculated with Van't Hoff equation and it is found to be 229K.

Simple size control of TiO2 nanoparticles and their electrochemical performance: emphasizing the contribution of the surface area to lithium storage at high-rates

NASA Astrophysics Data System (ADS)

Lim, Joohyun; Um, Ji Hyun; Lee, Kyung Jae; Yu, Seung-Ho; Kim, Young-Jae; Sung, Yung-Eun; Lee, Jin-Kyu

2016-03-01

The particle size effects of TiO2 nanoparticles (TNPs), which are composed of small crystallites, on Li ion storage are a very fundamental and important subject. However, size control of TNPs under 200 nm using a sol-gel method has been limited due to the highly reactive precursor, titanium alkoxide. In this study, TNPs with various sizes even under 100 nm are obtained by controlling the reactant concentrations in a mixed solvent of ethanol and acetonitrile. Among them, three different sizes of TNPs are prepared to compare the Li ion storage capacity, and 60 nm TNPs are found to have the best reversible capacity of 182 mA h g-1 after 50 cycles at 1 C and a remarkable rate performance of 120 mA h g-1 at 10 C. Capacity increase upon cycling is observed in the size-controlled TNPs, and the explanation of this phenomenon is proposed to the lattice volume expansion of TiO2 upon intercalation for enabling further penetration of the electrolyte into the particles' interior. Moreover, the capacity at high rates is more closely related to the surface area from Hg porosimetry analysis than from typical N2 adsorption/desorption analysis.The particle size effects of TiO2 nanoparticles (TNPs), which are composed of small crystallites, on Li ion storage are a very fundamental and important subject. However, size control of TNPs under 200 nm using a sol-gel method has been limited due to the highly reactive precursor, titanium alkoxide. In this study, TNPs with various sizes even under 100 nm are obtained by controlling the reactant concentrations in a mixed solvent of ethanol and acetonitrile. Among them, three different sizes of TNPs are prepared to compare the Li ion storage capacity, and 60 nm TNPs are found to have the best reversible capacity of 182 mA h g-1 after 50 cycles at 1 C and a remarkable rate performance of 120 mA h g-1 at 10 C. Capacity increase upon cycling is observed in the size-controlled TNPs, and the explanation of this phenomenon is proposed to the lattice

Nature-Inspired 2D-Mosaic 3D-Gradient Mesoporous Framework: Bimetal Oxide Dual-Composite Strategy toward Ultrastable and High-Capacity Lithium Storage.

PubMed

Yu, Jia; Wang, Yanlei; Mou, Lihui; Fang, Daliang; Chen, Shimou; Zhang, Suojiang

2018-02-27

In allusion to traditional transition-metal oxide (TMO) anodes for lithium-ion batteries, which face severe volume variation and poor conductivity, herein a bimetal oxide dual-composite strategy based on two-dimensional (2D)-mosaic three-dimensional (3D)-gradient design is proposed. Inspired by natural mosaic dominance phenomena, Zn 1-x Co x O/ZnCo 2 O 4 2D-mosaic-hybrid mesoporous ultrathin nanosheets serve as building blocks to assemble into a 3D Zn-Co hierarchical framework. Moreover, a series of derivative frameworks with high evolution are controllably synthesized, based on which a facile one-pot synthesis process can be developed. From a component-composite perspective, both Zn 1-x Co x O and ZnCo 2 O 4 provide superior conductivity due to bimetal doping effect, which is verified by density functional theory calculations. From a structure-composite perspective, 2D-mosaic-hybrid mode gives rise to ladder-type buffering and electrochemical synergistic effect, thus realizing mutual stabilization and activation between the mosaic pair, especially for Zn 1-x Co x O with higher capacity yet higher expansion. Moreover, the inside-out Zn-Co concentration gradient in 3D framework and rich oxygen vacancies further greatly enhance Li storage capability and stability. As a result, a high reversible capacity (1010 mA h g -1 ) and areal capacity (1.48 mA h cm -2 ) are attained, while ultrastable cyclability is obtained during high-rate and long-term cycles, rending great potential of our 2D-mosaic 3D-gradient design together with facile synthesis.

H2O2 modulates the energetic metabolism of the cloud microbiome

NASA Astrophysics Data System (ADS)

Wirgot, Nolwenn; Vinatier, Virginie; Deguillaume, Laurent; Sancelme, Martine; Delort, Anne-Marie

2017-12-01

Chemical reactions in clouds lead to oxidation processes driven by radicals (mainly HO⚫, NO3⚫, or HO2⚫) or strong oxidants such as H2O2, O3, nitrate, and nitrite. Among those species, hydrogen peroxide plays a central role in the cloud chemistry by driving its oxidant capacity. In cloud droplets, H2O2 is transformed by microorganisms which are metabolically active. Biological activity can therefore impact the cloud oxidant capacity. The present article aims at highlighting the interactions between H2O2 and microorganisms within the cloud system. First, experiments were performed with selected strains studied as a reference isolated from clouds in microcosms designed to mimic the cloud chemical composition, including the presence of light and iron. Biotic and abiotic degradation rates of H2O2 were measured and results showed that biodegradation was the most efficient process together with the photo-Fenton process. H2O2 strongly impacted the microbial energetic state as shown by adenosine triphosphate (ATP) measurements in the presence and absence of H2O2. This ATP depletion was not due to the loss of cell viability. Secondly, correlation studies were performed based on real cloud measurements from 37 cloud samples collected at the PUY station (1465 m a.s.l., France). The results support a strong correlation between ATP and H2O2 concentrations and confirm that H2O2 modulates the energetic metabolism of the cloud microbiome. The modulation of microbial metabolism by H2O2 concentration could thus impact cloud chemistry, in particular the biotransformation rates of carbon compounds, and consequently can perturb the way the cloud system is modifying the global atmospheric chemistry.

CNTs in situ attached to α-Fe2O3 submicron spheres for enhancing lithium storage capacity.

PubMed

Gao, Guo; Zhang, Qiang; Cheng, Xin-Bing; Qiu, Peiyu; Sun, Rongjin; Yin, Ting; Cui, Daxiang

2015-01-14

In this work, we developed a facile hydrothermal method for synthesis of hybrid α-Fe2O3-carbon nanotubes (CNTs) architectures (α-Fe2O3-CNTs-1 and α-Fe2O3-CNTs-2). The CNTs are in situ attached to the α-Fe2O3 submicron spheres and form three-dimensional network robust architectures. The increase in the amount of CNTs in the network α-Fe2O3-CNTs architectures will significantly enhance the cycling and rate performance, as the flexible and robust CNTs could ensure the fast electron transport pathways, enhance the electronic conductivity, and improve the structural stability of the electrode. As for pure α-Fe2O3 submicron spheres, the capacity decreased significantly and retained at 377.4 mAh g(-1) after 11 cycles, and the capacity has a slightly increasing trend at the following cycling. In contrast, the network α-Fe2O3-CNTs-2 electrode shows the most remarkable performance. At the 60th cycle, the capacity of network α-Fe2O3-CNTs-2 (764.5 mAh g(-1)) is 1.78 times than that of α-Fe2O3 submicron spheres (428.3 mAh g(-1)). The long-term cycling performance (1000 cycles) of samples at a high current density of 5 C showed that the capacity of α-Fe2O3 submicron spheres fade to ∼37.3 mAh g(-1) at the 400th cycle and gradually increased to ∼116.7 mAh g(-1) at the 1000th cycle. The capacity of network α-Fe2O3-CNTs-2 maintained at ∼220.2 mAh g(-1) before the 400th cycle, arrived at ∼326.5 mAh g(-1) in the 615th, cycle and retained this value until 1000th cycle. The network α-Fe2O3-CNTs-2 composite could significantly enhance the cycling and rate performance than pure α-Fe2O3 submicron spheres composite.

Charge storage in oxygen deficient phases of TiO2: defect Physics without defects.

PubMed

Padilha, A C M; Raebiger, H; Rocha, A R; Dalpian, G M

2016-07-01

Defects in semiconductors can exhibit multiple charge states, which can be used for charge storage applications. Here we consider such charge storage in a series of oxygen deficient phases of TiO2, known as Magnéli phases. These Magnéli phases (TinO2n-1) present well-defined crystalline structures, i.e., their deviation from stoichiometry is accommodated by changes in space group as opposed to point defects. We show that these phases exhibit intermediate bands with an electronic quadruple donor transitions akin to interstitial Ti defect levels in rutile TiO2. Thus, the Magnéli phases behave as if they contained a very large pseudo-defect density: ½ per formula unit TinO2n-1. Depending on the Fermi Energy the whole material will become charged. These crystals are natural charge storage materials with a storage capacity that rivals the best known supercapacitors.

Cr2O3 ultrasmall nanoparticles filled carbon nanocapsules deriving from Cr(VI) for enhanced lithium storage

NASA Astrophysics Data System (ADS)

Zhao, Yun; Wang, Jianjiao; Ma, Canliang; Li, Yong

2018-07-01

Based on the considerations in environmental and economic benefits, Cr2O72- as the major chromium pollutant is employed for applications in energy storage. A novel Cr2O3 ultrasmall nanoparticles (NPs) (<5 nm) filled carbon nanocapsule configuration is achieved through a surfactant-free solvothermal route with renewable furfural as the carbon source. The confinement effect that Cr2O3 NPs are restrained in the outer robust carbon shell and the plenty space among Cr2O3 NPs result in substantially enhanced Li-storage performances, such as stable capacity of 568 mAh g-1 at 100 mA g-1 after more than 200 cycles and high capacity retention at large current density.

Investigation on LiBH4-CaH2 composite and its potential for thermal energy storage.

PubMed

Li, Yang; Li, Ping; Qu, Xuanhui

2017-01-31

The LiBH 4 /CaH 2 composite are firstly studied as Concentrating Solar Power Thermal Storage Material. The LiBH 4 /CaH 2 composite according to the stoichiometric ratio are synthesized by high-energy ball milling method. The kinetics, thermodynamics and cycling stability of LiBH 4 /CaH 2 composite are investigated by XRD (X-ray diffraction), DSC (Differential scanning calorimeter) and TEM (Transmission electron microscope). The reaction enthalpy of LiBH 4 /CaH 2 composite is almost 60 kJ/mol H 2 and equilibrium pressure is 0.482 MPa at 450 °C. The thermal storage density of LiBH 4 /CaH 2 composite is 3504.6 kJ/kg. XRD results show that the main phase after dehydrogenation is LiH and CaB 6 . The existence of TiCl 3 and NbF 5 can effectively enhance the cycling perfomance of LiBH 4 /CaH 2 composite, with 6-7 wt% hydrogen capacity after 10 cycles. The high thermal storage density, high working temperature and low equilibrium pressure make LiBH 4 /CaH 2 composite a potential thermal storage material.

Using Pressure and Volumetric Approaches to Estimate CO2 Storage Capacity in Deep Saline Aquifers

DOE PAGES

Thibeau, Sylvain; Bachu, Stefan; Birkholzer, Jens; ...

2014-12-31

Various approaches are used to evaluate the capacity of saline aquifers to store CO 2, resulting in a wide range of capacity estimates for a given aquifer. The two approaches most used are the volumetric “open aquifer” and “closed aquifer” approaches. We present four full-scale aquifer cases, where CO 2 storage capacity is evaluated both volumetrically (with “open” and/or “closed” approaches) and through flow modeling. These examples show that the “open aquifer” CO 2 storage capacity estimation can strongly exceed the cumulative CO 2 injection from the flow model, whereas the “closed aquifer” estimates are a closer approximation to themore » flow-model derived capacity. An analogy to oil recovery mechanisms is presented, where the primary oil recovery mechanism is compared to CO 2 aquifer storage without producing formation water; and the secondary oil recovery mechanism (water flooding) is compared to CO 2 aquifer storage performed simultaneously with extraction of water for pressure maintenance. This analogy supports the finding that the “closed aquifer” approach produces a better estimate of CO 2 storage without water extraction, and highlights the need for any CO 2 storage estimate to specify whether it is intended to represent CO 2 storage capacity with or without water extraction.« less

CO2 sequestration: Storage capacity guideline needed

USGS Publications Warehouse

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.

Ultrasmall SnO2 Nanocrystals: Hot-bubbling Synthesis, Encapsulation in Carbon Layers and Applications in High Capacity Li-Ion Storage

PubMed Central

Ding, Liping; He, Shulian; Miao, Shiding; Jorgensen, Matthew R.; Leubner, Susanne; Yan, Chenglin; Hickey, Stephen G.; Eychmüller, Alexander; Xu, Jinzhang; Schmidt, Oliver G.

2014-01-01

Ultrasmall SnO2 nanocrystals as anode materials for lithium-ion batteries (LIBs) have been synthesized by bubbling an oxidizing gas into hot surfactant solutions containing Sn-oleate complexes. Annealing of the particles in N2 carbonifies the densely packed surface capping ligands resulting in carbon encapsulated SnO2 nanoparticles (SnO2/C). Carbon encapsulation can effectively buffer the volume changes during the lithiation/delithiation process. The assembled SnO2/C thus deliver extraordinarily high reversible capacity of 908 mA·h·g−1 at 0.5 C as well as excellent cycling performance in the LIBs. This method demonstrates the great potential of SnO2/C nanoparticles for the design of high power LIBs. PMID:24732294

Effect of H2O on the morphological changes of KNO3 formed on K2O/Al2O3 NOx storage materials: Fourier transform infra-red (FTIR) and time-resolved x-ray diffraction (TR-XRD) studies

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kim, Do Heui; Mudiyanselage, Kumudu K.; Szanyi, Janos

Based on combined FTIR and XRD studies, we report here that H2O induces a morphological change of KNO3 species formed on model K2O/Al2O3 NOx storage-reduction catalysts. Specifically as evidenced by FTIR, the contact of H2O with NO2 pre-adsorbed on K2O/Al2O3 promotes the transformation from bidentate (surface-like) KNO3 species to ionic (bulk-like) ones irrespective of K loadings. Once H2O is removed from the sample, a reversible transformation into bidentate KNO3 is observed, demonstrating a significant dependence of H2O on such morphological changes. TR-XRD results show the formation of two different types of bulk KNO3 phases (orthorhomobic and rhombohedral) in an as-impregnatedmore » sample. Once H2O begins to desorb above 400 K, the former is transformed into the latter, resulting in the existence of only the rhombohedral KNO3 phase. On the basis of consistent FTIR and TR-XRD results, we propose a model for the morphological changes of KNO3 species with respect to NO2 adsorption/desorption, H2O and/or heat treatments. Compared with the BaO/Al2O3 system, K2O/Al2O3 shows some similarities with respect to the formation of bulk nitrates upon H2O contact. However, there are significant differences that originate from the lower melting temperature of KNO3 relative to Ba(NO3)2.« less

Morphology-controlled construction of hierarchical hollow hybrid SnO2@TiO2 nanocapsules with outstanding lithium storage

PubMed Central

Zhou, Linzong; Guo, Hong; Li, Tingting; Chen, Weiwei; Liu, Lixiang; Qiao, Jinli; Zhang, Jiujun

2015-01-01

A novel synthesis containing microwave-assisted HCl etching reaction and precipitating reaction is employed to prepare hierarchical hollow SnO2@TiO2 nanocapsules for anode materials of Li-ion batteries. The intrinsic hollow nanostructure can shorten the lengths for both ionic and electronic transport, enlarge the electrode surface areas, and improving accommodation of the anode volume change during Li insertion/extraction cycling. The hybrid multi-elements in this material allow the volume change to take place in a stepwise manner during electrochemical cycling. In particular, the coating of TiO2 onto SnO2 can enhance the electronic conductivity of hollow SnO2 electrode. As a result, the as-prepared SnO2@TiO2 nanocapsule electrode exhibits a stably reversible capacity of 770 mA hg−1 at 1 C, and the capacity retention can keep over 96.1% after 200 cycles even at high current rates. This approach may shed light on a new avenue for the fast synthesis of hierarchical hollow nanocapsule functional materials for energy storage, catalyst and other new applications. PMID:26482415

Self-assembly synthesis of 3D graphene-encapsulated hierarchical Fe3O4 nano-flower architecture with high lithium storage capacity and excellent rate capability

NASA Astrophysics Data System (ADS)

Ma, Yating; Huang, Jian; Lin, Liang; Xie, Qingshui; Yan, Mengyu; Qu, Baihua; Wang, Laisen; Mai, Liqiang; Peng, Dong-Liang

2017-10-01

Graphene-encapsulated hierarchical metal oxides architectures can efficiently combine the merits of graphene and hierarchical metal oxides, which are deemed as the potential anode material candidates for the next-generation lithium-ion batteries due to the synergistic effect between them. Herein, a cationic surfactant induced self-assembly method is developed to construct 3D Fe3O4@reduction graphene oxide (H-Fe3O4@RGO) hybrid architecture in which hierarchical Fe3O4 nano-flowers (H-Fe3O4) are intimately encapsulated by 3D graphene network. Each H-Fe3O4 particle is constituted of rod-shaped skeletons surrounded by petal-like nano-flakes that are made up of enormous nanoparticles. When tested as the anode material in lithium-ion batteries, a high reversible capacity of 2270 mA h g-1 after 460 cycles is achieved under a current density of 0.5 A g-1. More impressively, even tested at a large current density of 10 A g-1, a decent reversible capacity of 490 mA h g-1 can be retained, which is still higher than the theoretical capacity of traditional graphite anode, demonstrating the remarkable lithium storage properties. The reasons for the excellent electrochemical performance of H-Fe3O4@RGO electrode have been discussed in detail.

Polyaniline-polypyrrole composites with enhanced hydrogen storage capacities.

PubMed

Attia, Nour F; Geckeler, Kurt E

2013-06-13

A facile method for the synthesis of polyaniline-polypyrrole composite materials with network morphology is developed based on polyaniline nanofibers covered by a thin layer of polypyrrole via vapor phase polymerization. The hydrogen storage capacity of the composites is evaluated at room temperature exhibits a twofold increase in hydrogen storage capacity. The HCl-doped polyaniline nanofibers exhibit a storage capacity of 0.46 wt%, whereas the polyaniline-polypyrrole composites could store 0.91 wt% of hydrogen gas. In addition, the effect of the dopant type, counteranion size, and the doping with palladium nanoparticles on the storage properties are also investigated. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

High-capacity electrode materials for electrochemical energy storage: Role of nanoscale effects

DOE PAGES

Nanda, Jagjit; Martha, Surendra K.; Kalyanaraman, Ramki

2015-06-02

In this review, we summarize the current state-of-the art electrode materials used for high-capacity lithium-ion-based batteries and their significant role towards revolutionizing the electrochemical energy storage landscape in the area of consumer electronics, transportation and grid storage application. We discuss the role of nanoscale effects on the electrochemical performance of high-capacity battery electrode materials. Decrease in the particle size of the primary electrode materials from micron to nanometre size improves the ionic and electronic diffusion rates significantly. Nanometre-thick solid electrolyte (such as lithium phosphorous oxynitride) and oxides (such as Al 2O 3, ZnO, TiO 2 etc.) material coatings also improvemore » the interfacial stability and rate capability of a number of battery chemistries. Finally, we elucidate these effects in terms of different high-capacity battery chemistries based on intercalation and conversion mechanism.« less

Two basic bismuth nitrates: [Bi6O6(OH)2](NO3)4 · 2H2O with superior photodegradation activity for rhodamine B and [Bi6O5(OH)3](NO3)5 · 3H2O with ultrahigh adsorption capacity for methyl orange

NASA Astrophysics Data System (ADS)

Pang, Jiawei; Han, Qiaofeng; Liu, Weiqi; Shen, Zichen; Wang, Xin; Zhu, Junwu

2017-11-01

A novel basic bismuth nitrate, [Bi6O6(OH)2](NO3)4·2H2O (denoted as BiON-4N), was easily obtained at room temperature in the existence of 2-methoxyethanol (CH3OCH2CH2OH; 2ME) with a pH value ranging from 4.5 to 7.0. The morphology of BiON-4N could be easily tailored by changing the variety and amount of bases like urea, hexamethylenetetramine (HMTA), NaOH and NH3·H2O. When the solution pH was decreased lower than 4.5, another basic bismuth nitrate, [Bi6O5(OH)3](NO3)5·3H2O (denoted as BiON-5N), could be synthesized. Among those, BiON-4N nanoparticles obtained with 40 mmol of HMTA exhibited superior photocatalytic activity for rhodamine B (RhB) degradation with an efficiency of 100% within 4 min of UV light irradiation, which was much higher than that of commercial TiO2 (P25). The excellent photocatalytic performance of BiON-4N was mainly attributed to higher surface area (13.1 m2 g-1) in comparison with other basic bismuth nitrates. Furthermore, the as-prepared BiON-5N revealed excellent adsorption performance for the anions like methyl orange (MO) and K2Cr2O7, and especially for MO, the maximum adsorption capacity arrived up to 730 mg g-1, which should be relevant to highly positively charged surface. This work provides a new strategy for developing bismuth-based nanomaterials in the big bismuth family as potential photocatalyst and adsorbent for the removal of dyes and contaminants.

Facile fabrication of robust TiO2@SnO2@C hollow nanobelts for outstanding lithium storage

NASA Astrophysics Data System (ADS)

Tian, Qinghua; Li, Lingxiangyu; Chen, Jizhang; Yang, Li; Hirano, Shin-ichi

2018-02-01

Elaborate fabrication of state-of-the-art nanostructure SnO2@C-based composites greatly contributes to alleviate the huge volume expansion issue of the SnO2 anodes. But the preparation processes of most of them are complicated and tedious, which is generally adverse to the development of SnO2@C-based composite anodes. Herein, a unique nanostructure of TiO2@SnO2@C hollow nanobelts (TiO2@SnO2@C HNBs), including the characteristics of one-dimensional architecture, sandwich protection, hollow structure, carbon coating, and a mechanically robust TiO2 support, has been fabricated by a facile approach for the first time. As anodes for lithium-ion batteries, the as-fabricated TiO2@SnO2@C HNBs exhibit an outstanding lithium storage performance, delivering capacity of 804.6 and 384. 5 mAh g-1 at 200 and even 1000 mA g-1 after 500 cycles, respectively. It is demonstrated that thus outstanding performance is mainly attributed to the unique nanostructure of TiO2@SnO2@C HNBs.

Enhanced oxygen storage capacity of cation-ordered cerium-zirconium oxide induced by titanium substitution.

PubMed

Goto, Yoshihiro; Morikawa, Akira; Iwasaki, Masaoki; Miura, Masahide; Tanabe, Toshitaka

2018-04-03

Herein, we report on the synthesis of Ce0.5Zr0.5-xTixO2 oxygen storage materials prepared via a solution combustion method. Ce0.5Zr0.4Ti0.1O2 showed an outstanding oxygen storage capacity (1310 μmol-O per g) at 200 °C compared to conventional κ-Ce2Zr2O8 (650 μmol-O per g) due to its cation ordering and the formation of weakly bound oxygen atoms induced by Ti substitution.

Stepwise mechanism and H2O-assisted hydrolysis in atomic layer deposition of SiO2 without a catalyst.

PubMed

Fang, Guo-Yong; Xu, Li-Na; Wang, Lai-Guo; Cao, Yan-Qiang; Wu, Di; Li, Ai-Dong

2015-01-01

Atomic layer deposition (ALD) is a powerful deposition technique for constructing uniform, conformal, and ultrathin films in microelectronics, photovoltaics, catalysis, energy storage, and conversion. The possible pathways for silicon dioxide (SiO2) ALD using silicon tetrachloride (SiCl4) and water (H2O) without a catalyst have been investigated by means of density functional theory calculations. The results show that the SiCl4 half-reaction is a rate-determining step of SiO2 ALD. It may proceed through a stepwise pathway, first forming a Si-O bond and then breaking Si-Cl/O-H bonds and forming a H-Cl bond. The H2O half-reaction may undergo hydrolysis and condensation processes, which are similar to conventional SiO2 chemical vapor deposition (CVD). In the H2O half-reaction, there are massive H2O molecules adsorbed on the surface, which can result in H2O-assisted hydrolysis of the Cl-terminated surface and accelerate the H2O half-reaction. These findings may be used to improve methods for the preparation of SiO2 ALD and H2O-based ALD of other oxides, such as Al2O3, TiO2, ZrO2, and HfO2.

Stepwise mechanism and H2O-assisted hydrolysis in atomic layer deposition of SiO2 without a catalyst

NASA Astrophysics Data System (ADS)

Fang, Guo-Yong; Xu, Li-Na; Wang, Lai-Guo; Cao, Yan-Qiang; Wu, Di; Li, Ai-Dong

2015-02-01

Atomic layer deposition (ALD) is a powerful deposition technique for constructing uniform, conformal, and ultrathin films in microelectronics, photovoltaics, catalysis, energy storage, and conversion. The possible pathways for silicon dioxide (SiO2) ALD using silicon tetrachloride (SiCl4) and water (H2O) without a catalyst have been investigated by means of density functional theory calculations. The results show that the SiCl4 half-reaction is a rate-determining step of SiO2 ALD. It may proceed through a stepwise pathway, first forming a Si-O bond and then breaking Si-Cl/O-H bonds and forming a H-Cl bond. The H2O half-reaction may undergo hydrolysis and condensation processes, which are similar to conventional SiO2 chemical vapor deposition (CVD). In the H2O half-reaction, there are massive H2O molecules adsorbed on the surface, which can result in H2O-assisted hydrolysis of the Cl-terminated surface and accelerate the H2O half-reaction. These findings may be used to improve methods for the preparation of SiO2 ALD and H2O-based ALD of other oxides, such as Al2O3, TiO2, ZrO2, and HfO2.

Thermophysical Characterization of MgCl2·6H2O, Xylitol and Erythritol as Phase Change Materials (PCM) for Latent Heat Thermal Energy Storage (LHTES)

PubMed Central

Höhlein, Stephan; König-Haagen, Andreas; Brüggemann, Dieter

2017-01-01

The application range of existing real scale mobile thermal storage units with phase change materials (PCM) is restricted by the low phase change temperature of 58 ∘C for sodium acetate trihydrate, which is a commonly used storage material. Therefore, only low temperature heat sinks like swimming pools or greenhouses can be supplied. With increasing phase change temperatures, more applications like domestic heating or industrial process heat could be operated. The aim of this study is to find alternative PCM with phase change temperatures between 90 and 150 ∘C. Temperature dependent thermophysical properties like phase change temperatures and enthalpies, densities and thermal diffusivities are measured for the technical grade purity materials xylitol (C5H12O5), erythritol (C4H10O4) and magnesiumchloride hexahydrate (MCHH, MgCl2·6H2O). The sugar alcohols xylitol and erythritol indicate a large supercooling and different melting regimes. The salt hydrate MgCl2·6H2O seems to be a suitable candidate for practical applications. It has a melting temperature of 115.1 ± 0.1 ∘C and a phase change enthalpy of 166.9 ± 1.2 J/g with only 2.8 K supercooling at sample sizes of 100 g. The PCM is stable over 500 repeated melting and solidification cycles at differential scanning calorimeter (DSC) scale with only small changes of the melting enthalpy and temperature. PMID:28772806

Refinements in an Mg/MgH2/H2O-Based Hydrogen Generator

NASA Technical Reports Server (NTRS)

Kindler, Andrew; Huang, Yuhong

2010-01-01

Some refinements have been conceived for a proposed apparatus that would generate hydrogen (for use in a fuel cell) by means of chemical reactions among magnesium, magnesium hydride, and steam. The refinements lie in tailoring spatial and temporal distributions of steam and liquid water so as to obtain greater overall energy-storage or energy-generation efficiency than would otherwise be possible. A description of the prior art is prerequisite to a meaningful description of the present refinements. The hydrogen-generating apparatus in question is one of two versions of what was called the "advanced hydrogen generator" in "Fuel-Cell Power Systems Incorporating Mg-Based H2 Generators" (NPO-43554), NASA Tech Briefs, Vol. 33, No. 1 (January 2009), page 52. To recapitulate: The apparatus would include a reactor vessel that would be initially charged with magnesium hydride. The apparatus would exploit two reactions: The endothermic decomposition reaction MgH2-->Mg + H2, which occurs at a temperature greater than or equal to 300 C, and The exothermic oxidation reaction MgH2 + H2O MgO + 2H2, which occurs at a temperature greater than or equal to 330 C.

Influences on the H2-sorption properties of Mg of Co (with various sizes) and CoO addition by reactive grinding and their thermodynamic stabilities

NASA Astrophysics Data System (ADS)

Song, Myoung Youp; Lee, DongSub; Kwon, IkHyun

2004-02-01

We attempted to improve the H2-sorption properties of Mg by mechanical grinding under H2 (reactive grinding) with Co (with various particle sizes) and with CoO. The thermodynamic stabilities of the added Co and CoO were also investigated. CoO addition has the best influence and addition of smaller particles of Co (0.5-1.5 μm) has a better effect than the addition of larger particles of Co on the H2-sorption properties of Mg. The activated Mg+10 wt.% CoO sample has about 5.54 wt% hydrogen-storage capacity at 598 K and the highest hydriding rate, showing an Ha value of 2.39 wt.% after 60 min at 598 K, 11.2 bar H2. The order of the hydriding rates after activation is the same as that of the specific surface areas of the samples. The reactive grinding of Mg with Co or CoO and hydriding-dehydriding cycling increase the H2-sorption rates by facilitating nucleation of magnesium hydride or α solid solution of Mg and H (by creating defects on the surface of the Mg particles and by the additive), and by making cracks on the surface of Mg particles and reducing the particle size of Mg, thus shortening the diffusion distances of hydrogen atoms. The cobalt oxide is stable even after 14 hydriding cycles at 598 K under 11.2 bar H2. Discharge capacities are measured for the sampple Mg+10 wt.%CoO and Mg+10wt.%Co (0.5-1.5 μm) with good hydrogen-storage properties.

Real-Time H2 O2 Measurements in Bone Marrow Mesenchymal Stem Cells (MSCs) Show Increased Antioxidant Capacity in Cells From Osteoporotic Women.

PubMed

Román, Flavia; Urra, Carla; Porras, Omar; Pino, Ana María; Rosen, Clifford J; Rodríguez, Juan Pablo

2017-03-01

Oxidative stress (OS) derived from an increase in intracellular reactive oxygen species (ROS) is a major determinant of aging and lifespan. It has also been associated with several age-related disorders, like postmenopausal osteoporosis of Mesenchymal stem cells (MSCs). MSCs are the common precursors for osteoblasts and adipocytes; appropriate commitment and differentiation of MSCs into a specific phenotype is modulated, among other factors, by ROS balance. MSCs have shown more resistance to ROS than differentiated cells, and their redox status depends on complex and abundant anti-oxidant mechanisms. The purpose of this work was to analyze in real time, H 2 O 2 signaling in individual h-MSCs, and to compare the kinetic parameters of H 2 O 2 management by cells derived from both control (c-) and osteoporotic (o-) women. For these purposes, cells were infected with a genetically encoded fluorescent biosensor named HyPer, which is specific for detecting H 2 O 2 inside living cells. Subsequently, cells were sequentially challenged with 50 and 500 μM H 2 O 2 pulses, and the cellular response was recorded in real time. The results demonstrated adequate expression of the biosensor allowing registering fluorescence from HyPer at a single cell level. Comparison of the response of c- and o-MSCs to the oxidant challenges demonstrated improved antioxidant activity in o-MSCs. This was further corroborated by measuring the relative expression of mRNAs for catalase, superoxide dismutase-1, thioredoxine, and peroxiredoxine, as well as by cell-surviving capacity under short-term H 2 O 2 treatment. We conclude that functional differences exist between healthy and osteoporotic human MSCs. The mechanism for these differences requires further study. J. Cell. Biochem. 118: 585-593, 2017. © 2016 Wiley Periodicals, Inc. © 2016 Wiley Periodicals, Inc.

Counting the Photons: Determining the Absolute Storage Capacity of Persistent Phosphors

PubMed Central

Rodríguez Burbano, Diana C.; Capobianco, John A.

2017-01-01

The performance of a persistent phosphor is often determined by comparing luminance decay curves, expressed in cd/m2. However, these photometric units do not enable a straightforward, objective comparison between different phosphors in terms of the total number of emitted photons, as these units are dependent on the emission spectrum of the phosphor. This may lead to incorrect conclusions regarding the storage capacity of the phosphor. An alternative and convenient technique of characterizing the performance of a phosphor was developed on the basis of the absolute storage capacity of phosphors. In this technique, the phosphor is incorporated in a transparent polymer and the measured afterglow is converted into an absolute number of emitted photons, effectively quantifying the amount of energy that can be stored in the material. This method was applied to the benchmark phosphor SrAl2O4:Eu,Dy and to the nano-sized phosphor CaS:Eu. The results indicated that only a fraction of the Eu ions (around 1.6% in the case of SrAl2O4:Eu,Dy) participated in the energy storage process, which is in line with earlier reports based on X-ray absorption spectroscopy. These findings imply that there is still a significant margin for improving the storage capacity of persistent phosphors. PMID:28773228

New metal-organic frameworks of [M(C6H5O7)(C6H6O7)(C6H7O7)(H2O)] . H2O (M=La, Ce) and [Ce2(C2O4)(C6H6O7)2] . 4H2O

NASA Astrophysics Data System (ADS)

Weng, Sheng-Feng; Wang, Yun-Hsin; Lee, Chi-Shen

2012-04-01

Two novel materials, [M(C6H5O7)(C6H6O7)(C6H7O7)(H2O)] . H2O (M=La(1a), Ce(1b)) and [Ce2(C2O4)(C6H6O7)2] . 4H2O (2), with a metal-organic framework (MOF) were prepared with hydrothermal reactions and characterized with photoluminescence, magnetic susceptibility, thermogravimetric analysis and X-ray powder diffraction in situ. The crystal structures were determined by single-crystal X-ray diffraction. Compound 1 crystallized in triclinic space group P1¯ (No. 2); compound 2 crystallized in monoclinic space group P21/c (No. 14). The structure of 1 is built from a 1D MOF, composed of deprotonated citric ligands of three kinds. Compound 2 contains a 2D MOF structure consisting of citrate and oxalate ligands; the oxalate ligand arose from the decomposition in situ of citric acid in the presence of CuII ions. Photoluminescence spectra of compounds 1b and 2 revealed transitions between the 5d1 excited state and two levels of the 4f1 ground state (2F5/2 and 2F7/2). Compounds 1b and 2 containing CeIII ion exhibit a paramagnetic property with weak antiferromagnetic interactions between the two adjacent magnetic centers.

DFT study of CO2 and H2O co-adsorption on carbon models of coal surface.

PubMed

Gao, Zhengyang; Ding, Yi

2017-06-01

The moisture content of coal affects the adsorption capacity of CO 2 on the coal surface. Since the hydrogen bonds are formed between H 2 O and oxygen functional group, the H 2 O cluster more easily adsorbs on the coal micropore than CO 2 molecule. The coal micropores are occupied by H 2 O molecules that cannot provide extra space for CO 2 adsorption, which may leads to the reduction of CO 2 adsorption capacity. However, without considering factors of micropore and oxygen functional groups, the co-adsorption mechanisms of CO 2 and adsorbed H 2 O molecule are not clear. Density functional theory (DFT) calculations were performed to elucidate the effect of adsorbed H 2 O to CO 2 adsorption. This study reports some typical coal-H 2 O···CO 2 complexes, along with a detailed analysis of the geometry, energy, electrostatic potential (ESP), atoms in molecules (AIM), reduced density gradient (RDG), and energy decomposition analysis (EDA). The results show that H 2 O molecule can more stably adsorb on the aromatic ring surface than CO 2 molecule, and the absolute values of local ESP maximum and minimum of H 2 O cluster are greater than CO 2 . AIM analysis shows a detailed interaction path and strength between atoms in CO 2 and H 2 O, and RDG analysis shows that the interactions among CO 2 , H 2 O, and coal model belong to weak van der Waals force. EDA indicates that electrostatic and long-range dispersion terms play a primary role in the co-adsorption of CO 2 and H 2 O. According to the DFT calculated results without considering micropore structure and functional group, it is shown that the adsorbed H 2 O can promote CO 2 adsorption on the coal surface. These results demonstrate that the micropore factor plays a dominant role in affecting CO 2 adsorption capacity, the attractive interaction of adsorbed H 2 O to CO 2 makes little contribution.

Role of chemical interaction between MgH2 and TiO2 additive on the hydrogen storage behavior of MgH2

NASA Astrophysics Data System (ADS)

Pukazhselvan, D.; Nasani, Narendar; Sandhya, K. S.; Singh, Budhendra; Bdikin, Igor; Koga, Nobuaki; Fagg, Duncan Paul

2017-10-01

The present study explores how the additive titania chemically reacts with magnesium hydride and influences the dehydrogenation of MgH2. Quantitative X - ray diffraction study of ball milled MgH2 + xTiO2 (x = 0.25, 0.33, 0.5 and 1) suggests that Ti substituted MgO is the main reaction product in all the product powders. Convincing evidence is obtained to conclude that Ti dissolution in MgO makes a dramatic behavioral change to MgO; passive MgO turns as an active in-built catalyst. The analysis correlating the dehydrogenation kinetics, composition of in-situ catalyst and sample durability suggests that effectiveness of Ti substituted MgO (MgxTiyOx+y) as a catalyst for MgH2 depends on the concentration of Ti in MgxTiyOx+y rock salt. These observations are immensely helpful for understanding the hydrogen desorption mechanism of metal oxide additives loaded MgH2 system.

"Job-Sharing" Storage of Hydrogen in Ru/Li₂O Nanocomposites.

PubMed

Fu, Lijun; Tang, Kun; Oh, Hyunchul; Manickam, Kandavel; Bräuniger, Thomas; Chandran, C Vinod; Menzel, Alexander; Hirscher, Michael; Samuelis, Dominik; Maier, Joachim

2015-06-10

A "job-sharing" hydrogen storage mechanism is proposed and experimentally investigated in Ru/Li2O nanocomposites in which H(+) is accommodated on the Li2O side, while H(-) or e(-) is stored on the side of Ru. Thermal desorption-mass spectroscopy results show that after loading with D2, Ru/Li2O exhibits an extra desorption peak, which is in contrast to Ru nanoparticles or ball-milled Li2O alone, indicating a synergistic hydrogen storage effect due to the presence of both phases. By varying the ratio of the two phases, it is shown that the effect increases monotonically with the area of the heterojunctions, indicating interface related hydrogen storage. X-ray diffraction, Fourier transform infrared spectroscopy, and nuclear magnetic resonance results show that a weak LiO···D bond is formed after loading in Ru/Li2O nanocomposites with D2. The storage-pressure curve seems to favor H(+)/H(-) over H(+)/e(-) mechanism.

Basin-Scale Hydrologic Impacts of CO2 Storage: Regulatory and Capacity Implications

DOE Office of Scientific and Technical Information (OSTI.GOV)

Birkholzer, J.T.; Zhou, Q.

Industrial-scale injection of CO{sub 2} into saline sedimentary basins will cause large-scale fluid pressurization and migration of native brines, which may affect valuable groundwater resources overlying the deep sequestration reservoirs. In this paper, we discuss how such basin-scale hydrologic impacts can (1) affect regulation of CO{sub 2} storage projects and (2) may reduce current storage capacity estimates. Our assessment arises from a hypothetical future carbon sequestration scenario in the Illinois Basin, which involves twenty individual CO{sub 2} storage projects in a core injection area suitable for long-term storage. Each project is assumed to inject five million tonnes of CO{sub 2}more » per year for 50 years. A regional-scale three-dimensional simulation model was developed for the Illinois Basin that captures both the local-scale CO{sub 2}-brine flow processes and the large-scale groundwater flow patterns in response to CO{sub 2} storage. The far-field pressure buildup predicted for this selected sequestration scenario suggests that (1) the area that needs to be characterized in a permitting process may comprise a very large region within the basin if reservoir pressurization is considered, and (2) permits cannot be granted on a single-site basis alone because the near- and far-field hydrologic response may be affected by interference between individual sites. Our results also support recent studies in that environmental concerns related to near-field and far-field pressure buildup may be a limiting factor on CO{sub 2} storage capacity. In other words, estimates of storage capacity, if solely based on the effective pore volume available for safe trapping of CO{sub 2}, may have to be revised based on assessments of pressure perturbations and their potential impact on caprock integrity and groundwater resources, respectively. We finally discuss some of the challenges in making reliable predictions of large-scale hydrologic impacts related to CO{sub 2

Superior lithium storage performance using sequentially stacked MnO2/reduced graphene oxide composite electrodes.

PubMed

Kim, Sue Jin; Yun, Young Jun; Kim, Ki Woong; Chae, Changju; Jeong, Sunho; Kang, Yongku; Choi, Si-Young; Lee, Sun Sook; Choi, Sungho

2015-04-24

Hybrid nanostructures based on graphene and metal oxides hold great potential for use in high-performance electrode materials for next-generation lithium-ion batteries. Herein, a new strategy to fabricate sequentially stacked α-MnO2 /reduced graphene oxide composites driven by surface-charge-induced mutual electrostatic interactions is proposed. The resultant composite anode exhibits an excellent reversible charge/discharge capacity as high as 1100 mA h g(-1) without any traceable capacity fading, even after 100 cycles, which leads to a high rate capability electrode performance for lithium ion batteries. Thus, the proposed synthetic procedures guarantee a synergistic effect of multidimensional nanoscale media between one (metal oxide nanowire) and two dimensions (graphene sheet) for superior energy-storage electrodes. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Solar treatment (H2O2, TiO2-P25 and GO-TiO2 photocatalysis, photo-Fenton) of organic micropollutants, human pathogen indicators, antibiotic resistant bacteria and related genes in urban wastewater.

PubMed

Moreira, Nuno F F; Narciso-da-Rocha, Carlos; Polo-López, M Inmaculada; Pastrana-Martínez, Luisa M; Faria, Joaquim L; Manaia, Célia M; Fernández-Ibáñez, Pilar; Nunes, Olga C; Silva, Adrián M T

2018-05-15

Solar-driven advanced oxidation processes were studied in a pilot-scale photoreactor, as tertiary treatments of effluents from an urban wastewater treatment plant. Solar-H 2 O 2 , heterogeneous photocatalysis (with and/or without the addition of H 2 O 2 and employing three different photocatalysts) and the photo-Fenton process were investigated. Chemical (sulfamethoxazole, carbamazepine, and diclofenac) and biological contaminants (faecal contamination indicators, their antibiotic resistant counterparts, 16S rRNA and antibiotic resistance genes), as well as the whole bacterial community, were characterized. Heterogeneous photocatalysis using TiO 2 -P25 and assisted with H 2 O 2 (P25/H 2 O 2 ) was the most efficient process on the degradation of the chemical organic micropollutants, attaining levels below the limits of quantification in less than 4 h of treatment (corresponding to Q UV  < 40 kJ L -1 ). This performance was followed by the same process without H 2 O 2 , using TiO 2 -P25 or a composite material based on graphene oxide and TiO 2 . Regarding the biological indicators, total faecal coliforms and enterococci and their antibiotic resistant (tetracycline and ciprofloxacin) counterparts were reduced to values close, or beneath, the detection limit (1 CFU 100 mL -1 ) for all treatments employing H 2 O 2 , even upon storage of the treated wastewater for 3-days. Moreover, P25/H 2 O 2 and solar-H 2 O 2 were the most efficient processes in the reduction of the abundance (gene copy number per volume of wastewater) of the analysed genes. However, this reduction was transient for 16S rRNA, intI1 and sul1 genes, since after 3-days storage of the treated wastewater their abundance increased to values close to pre-treatment levels. Similar behaviour was observed for the genes qnrS (using TiO 2 -P25), bla CTX-M and bla TEM (using TiO 2 -P25 and TiO 2 -P25/H 2 O 2 ). Interestingly, higher proportions of sequence reads affiliated to the phylum Proteobacteria

Low-Temperature Heat Capacities and Standard Molar Enthalpy of Formation of Potassium Benzoate C7H5O2K(s)

NASA Astrophysics Data System (ADS)

Yang, Wei-Wei; di, You-Ying; Yin, Zhen-Fen; Kong, Yu-Xia; Tan, Zhi-Cheng

2009-04-01

Potassium benzoate C7H5O2K (CAS Registry No. 582-25-2) was synthesized by the method of liquid phase reaction. Chemical and elemental analyses, FTIR, and X-ray powder diffraction (XRD) techniques were applied to characterize the composition and structure of the compound. Low-temperature heat capacities of the compound were measured by a precision automated adiabatic calorimeter over the temperature range from 78 K to 398 K. A polynomial equation of the heat capacities as a function of temperature was fitted by the least-squares method. Smoothed heat capacities and thermodynamic functions of the compound were calculated based on the fitted polynomial. In accordance with Hess’s law, a reasonable thermochemical cycle was designed, and 100 mL of 1 mol · dm-3 NaOH solution was chosen as the calorimetric solvent. The standard molar enthalpies of dissolution for the reactants and products of the supposed reaction in the selected solvent were measured by an isoperibol solution-reaction calorimeter. Finally, the standard molar enthalpy of formation of the title compound C7H5O2K (s) was derived to be -(610.94 ± 0.77) kJ · mol-1.

Effects of Ti-Based Additives on the Hydrogen Storage Properties of a L i B H 4 / C a H 2 Destabilized System

DOE PAGES

Yang, Hongwei; Ibikunle, Adeola; Goudy, Andrew J.

2010-01-01

Tmore » he hydrogen storage properties of a destabilized LiBH 4 / CaH 2 system ball-milled with iCl 3 , iF 3 , and iO 2 additives have been investigated. It is found that the system with iCl 3 additive has a lower dehydrogenation temperature than the ones with other additives. Further study shows that a higher amount of iCl 3 is more effective in reducing the desorption temperature of the LiBH 4 / CaH 2 system, since it leads to a lower activation energy of dehydrogenation. he activations energies for mixtures containing 4, 10, and 25 mol% of iCl 3 are 141, 126, and 110 kJ/mol, respectively. However, the benefits of higher amounts of iCl 3 are offset by a larger reduction in hydrogen capacity of the mixtures.« less

High catalytic activity and stability of Ni/CexZr1-xO2/MSU-H for CH4/CO2 reforming reaction

NASA Astrophysics Data System (ADS)

Chang, Xiaoqian; Liu, Bingsi; Xia, Hong; Amin, Roohul

2018-06-01

How to reduce emission of CO2 as greenhouse gases, which resulted in global warming, is of very important significance. A series of Ni/CexZr1-xO2/MSU-H catalysts was prepared by means of hexagonally ordered mesoporous MSU-H with thermal and hydrothermal stabilities, which is cheap and can be synthesized in the large scale. The 10%Ni/Ce0.75Zr0.25O2/MSU-H catalyst presents high catalytic activity, stability and the ability of coke-resistance for CH4/CO2 reforming reaction due to high SBET (428 m2/g) and smaller Nio nanoparticle size (3.14 nm). The high dispersed Nio nanoparticles over MSU-H promoted the decomposition of CH4 and the carbon species accumulated on active Nio sites reacting with crystal lattice oxygen in Ce0.75Zr0.25O2 to form CO molecules. In the meantime, the remained oxygen vacancies on the interface between Nio and Ce0.75Zr0.25O2 could be supplemented via CO2. HRTEM images and XRD results of Ni/Ce0.75Zr0.25O2/MSU-H verified that high dispersion of Ni nanoparticles over Ni/Ce0.75Zr0.25O2/MSU-H correlated closely with the synergistic action between Ce0.75Zr0.25O2 and MSU-H as well as hexagonally ordered structure of MSU-H, which can provide effectively the oxygen storage capacity and inhibit the formation of coke.

Hierarchical micron-sized mesoporous/macroporous graphene with well-tuned surface oxygen chemistry for high capacity and cycling stability Li-O2 battery.

PubMed

Zhou, Wei; Zhang, Hongzhang; Nie, Hongjiao; Ma, Yiwen; Zhang, Yining; Zhang, Huamin

2015-02-11

Nonaqueous Li-O2 battery is recognized as one of the most promising energy storage devices for electric vehicles due to its super-high energy density. At present, carbon or catalyst-supporting carbon materials are widely used for cathode materials of Li-O2 battery. However, the unique electrode reaction and complex side reactions lead to numerous hurdles that have to be overcome. The pore blocking caused by the solid products and the byproducts generated from the side reactions severely limit the capacity performance and cycling stability. Thus, there is a great need to develop carbon materials with optimized pore structure and tunable surface chemistry to meet the special requirement of Li-O2 battery. Here, we propose a strategy of vacuum-promoted thermal expansion to fabricate one micron-sized graphene matrix with a hierarchical meso-/macroporous structure, combining with a following deoxygenation treatment to adjust the surface chemistry by reducing the amount of oxygen and selectively removing partial unstable groups. The as-made graphene demonstrates dramatically tailored pore characteristics and a well-tuned surface chemical environment. When applied in Li-O2 battery as cathode, it exhibits an outstanding capacity up to 19 800 mA h g(-1) and is capable of enduring over 50 cycles with a curtaining capacity of 1000 mA h g(-1) at a current density of 1000 mA g(-1). This will provide a novel pathway for the design of cathodes for Li-O2 battery.

Aluminum-doped ceria-zirconia solid solutions with enhanced thermal stability and high oxygen storage capacity.

PubMed

Dong, Qiang; Yin, Shu; Guo, Chongshen; Sato, Tsugio

2012-10-01

A facile solvothermal method to synthesize aluminum-doped ceria-zirconia (Ce0.5Zr0.5-xAlxO2-x/2, x = 0.1 to 0.4) solid solutions was carried out using Ce(NH4)2(NO3)6, Zr(NO3)3·2H2O Al(NO3)3·9H2O, and NH4OH as the starting materials at 200°C for 24 h. The obtained solid solutions from the solvothermal reaction were calcined at 1,000°C for 20 h in air atmosphere to evaluate the thermal stability. The synthesized Ce0.5Zr0.3Al0.2O1.9 particle was characterized for the oxygen storage capacity (OSC) in automotive catalysis. For the characterization, X-ray diffraction, transmission electron microscopy, and the Brunauer-Emmet-Teller (BET) technique were employed. The OSC values of all samples were measured at 600°C using thermogravimetric-differential thermal analysis. Ce0.5Zr0.3Al0.2O1.9 solid solutions calcined at 1,000°C for 20 h with a BET surface area of 18 m2 g-1 exhibited a considerably high OSC of 427 μmol-O g-1 and good OSC performance stability. The same synthesis route was employed for the preparation of the CeO2 and Ce0.5Zr0.5O2. The incorporation of aluminum ion in the lattice of ceria-based catalyst greatly enhanced the thermal stability and OSC.

Experimental studies on cycling stable characteristics of inorganic phase change material CaCl2·6H2O-MgCl2·6H2O modified with SrCl2·6H2O and CMC

NASA Astrophysics Data System (ADS)

He, Meizhi; Yang, Luwei; Zhang, Zhentao

2018-01-01

By means of mass ratio method, binary eutectic hydrated salts inorganic phase change thermal energy storage system CaCl2·6H2O-20wt% MgCl2·6H2O was prepared, and through adding nucleating agent 1wt% SrCl2·6H2O and thickening agent 0.5wt% carboxy methyl cellulose (CMC), inoganic phase change material (PCM) modified was obtained. With recording cooling-melting curves simultaneously, this PCM was frozen and melted for 100 cycles under programmable temperature control. After per 10 cycles, the PCM was charaterized by differential scanning calorimeter (DSC), X-ray diffraction (XRD) and density meter, then analysing variation characteristics of phase change temperature, supercooling degree, superheat degree, latent heat, crystal structure and density with the increase of cycle index. The results showed that the average values of average phase change temperature for cooling and heating process were 25.70°C and 27.39°C respectively with small changes. The average values of average supercooling and superheat degree were 0.59°C and 0.49°C respectively, and the maximum value was 1.10°C. The average value and standard deviation of latent heat of fusion were 120.62 J/g and 1.90 J/g respectively. Non-molten white solid sediments resulted from phase separation were tachyhydrite (CaMg2Cl6·12H2O), which was characterized by XRD. Measuring density of the PCM after per 10 cycles, and the results suggested that the total mass of tachyhydrite was limited. In summary, such modified inoganic PCM CaCl2·6H2O-20wt% MgCl2·6H2O-1wt% SrCl2·6H2O-0.5wt% CMC could stay excellent circulation stability within 100 cycles, and providing reference value in practical use.

Insertion of bentonite with Organometallic [Fe3O(OOC6H5)6(H2O)3(NO3).nH2O] as Adsorbent of Congo Red

NASA Astrophysics Data System (ADS)

Said, Muhammad; Paluta Utami, Hasja; Hayati, Ferlina

2018-01-01

The adsorption of Congo red using bentonite inserted organometallic has been investigated. The insertion bentonite was characterized using FT-IR Spectrophotometer, XRD and XRF analysis. The FT-IR characterization showed the higher intensity of peak wavenumber at 470.6 cm-1 for Fe3O on the ratio 1:3. While the XRD characterization showed the shift of diffraction angle of 2θ was 5.2° and has a basal spacing of 16.8 Å. In the XRF characterization, the insertion process of organometallic occurred optimally with the percentage of metal oxide reached 71.75 %. The adsorption process of bentonite inserted organometallic compound [Fe3O(OOC6H5)6(H2O)3(NO3)·nH2O] showed the adsorption rate (k) is 0.050 min-1, the largest adsorption capacity (b) at 70°C is 4.48 mol/g, the largest adsorption energy at temperature 30°C which is 6.4 kJ/mol Organometallic compounds. The value of the enthalpy (ΔH) and entropy (ΔS) decreased with increasing concentrations of the Congo red. Effect of pH on the adsorption on at pH 3 shows the biggest of number Congo red absorbed is 19.52 mg/L for insertion of bentonite.

Site specific comparison of H2, CH4 and compressed air energy storage in porous formations

NASA Astrophysics Data System (ADS)

Tilmann Pfeiffer, Wolf; Wang, Bo; Bauer, Sebastian

2016-04-01

The supply of energy from renewable sources like wind or solar power is subject to fluctuations determined by the climatic and weather conditions, and shortage periods can be expected on the order of days to weeks. Energy storage is thus required if renewable energy dominates the total energy production and has to compensate the shortages. Porous formations in the subsurface could provide large storage capacities for various energy carriers, such as hydrogen (H2), synthetic methane (CH4) or compressed air (CAES). All three energy storage options have similar requirements regarding the storage site characteristics and consequently compete for suitable subsurface structures. The aim of this work is to compare the individual storage methods for an individual storage site regarding the storage capacity as well as the achievable delivery rates. This objective is pursued using numerical simulation of the individual storage operations. In a first step, a synthetic anticline with a radius of 4 km, a drop of 900 m and a formation thickness of 20 m is used to compare the individual storage methods. The storage operations are carried out using -depending on the energy carrier- 5 to 13 wells placed in the top of the structure. A homogeneous parameter distribution is assumed with permeability, porosity and residual water saturation being 500 mD, 0.35 and 0.2, respectively. N2 is used as a cushion gas in the H2 storage simulations. In case of compressed air energy storage, a high discharge rate of 400 kg/s equating to 28.8 mio. m³/d at surface conditions is required to produce 320 MW of power. Using 13 wells the storage is capable of supplying the specified gas flow rate for a period of 31 hours. Two cases using 5 and 9 wells were simulated for both the H2 and the CH4 storage operation. The target withdrawal rates of 1 mio. sm³/d are maintained for the whole extraction period of one week in all simulations. However, the power output differs with the 5 well scenario producing

New Insight into the Reaction Mechanism for Exceptional Capacity of Ordered Mesoporous SnO2 Electrodes via Synchrotron-Based X-ray Analysis

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kim, Hyunchul; Park, Gwi Ok; Kim, Yunok

2014-11-25

Tin oxide-based materials, operating via irreversible conversion and reversible alloying reaction, are promising lithium storage materials due to their higher capacity. Recent studies reported that nanostructured SnO2 anode provides higher capacity beyond theoretical capacity based on the alloying reaction mechanism; however, their exact mechanism remains still unclear. Here, we report the detailed lithium storage mechanism of an ordered mesoporous SnO2 electrode material. Synchrotron X-ray diffraction and absorption spectroscopy reveal that some portion of Li2O decomposes upon delithiation and the resulting oxygen reacts with Sn to form the SnOx phase along with dealloying of LixSn, which are the main reasons formore » unexpected high capacity of an ordered mesoporous SnO2 material. This finding will not only be helpful in a more complete understanding of the reaction mechanism of Sn-based oxide anode materials but also will offer valuable guidance for developing new anode materials with abnormal high capacity for next generation rechargeable batteries« less

Hydrogen storage capacity on Ti-decorated porous graphene: First-principles investigation

NASA Astrophysics Data System (ADS)

Yuan, Lihua; Kang, Long; Chen, Yuhong; Wang, Daobin; Gong, Jijun; Wang, Chunni; Zhang, Meiling; Wu, Xiaojuan

2018-03-01

Hydrogen storage capacity on Titanium (Ti) decorated porous graphene (PG) has been investigated using density functional theory simulations with generalized gradient approximation method. The possible adsorption sites of Ti atom on PG and electronic properties of Ti-PG system are also discussed.The results show a Ti atom prefers to strongly adsorb on the center site above the C hexagon with the binding energy of 3.65 eV, and the polarization and the hybridization mechanisms both contribute to the Ti atom adsorption on PG. To avoid a tendency of clustering among Ti atoms, the single side of the PG unit cell should only contain one Ti atom. For the single side of PG, four H2 molecules can be adsorbed around Ti atom, and the adsorption mechanism of H2 molecules come from not only the polarization mechanism between Ti and H atoms but also the orbital hybridization among Ti atom, H2 molecules and C atoms. For the case of double sides of PG, eight H2 molecules can be adsorbed on Ti-decorated PG unit cell with the average adsorption energy of -0.457 eV, and the gravimetric hydrogen storage capacity is 6.11 wt.%. Furthermore, ab inito molecular-dynaics simulation result shows that six H2 molecules can be adsorbed on double sides of unit cell of Ti-PG system and the configuration of Ti-PG is very stable at 300 K and without external pressure, which indicates Ti-decorated PG could be considered as a potential hydrogen storage medium at ambient conditions.

Final Project Report for DOE/EERE High-Capacity and Low-Cost Hydrogen-Storage Sorbents for Automotive Applications

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhou, Hong-Cai; Liu, Di-Jia

This report provides a review of the objectives, progress, and milestones of the research conducted during this project on the topic of developing innovative metal-organic frameworks (MOFs) and porous organic polymers (POPs) for high-capacity and low-cost hydrogen-storage sorbents in automotive applications.1 The objectives of the proposed research were to develop new materials as next-generation hydrogen storage sorbents that meet or exceed DOE’s 2017 performance targets of gravimetric capacity of 0.055 kg H 2/kg system and volumetric capacity of 0.040 kg H 2/L system at a cost of $400/kg H 2 stored. Texas A&M University (TAMU) and Argonne National Laboratory (ANL)more » collaborated in developing low-cost and high-capacity hydrogen-storage sorbents with appropriate stability, sorption kinetics, and thermal conductivity. The research scope and methods developed to achieve the project’s goals include the following: Advanced ligand design and synthesis to construct MOF sorbents with optimal hydrogen storage capacities, low cost and high stability; Substantially improve the hydrogen uptake capacity and chemical stability of MOF-based sorbents by incorporating high valent metal ions during synthesis or through the post-synthetic metal metathesis oxidation approach; Enhance sorbent storage capacity through material engineering and characterization; Generate a better understanding of the H 2-sorbent interaction through advanced characterization and simulation. Over the course of the project 5 different MOFs were developed and studied: PCN-250, PCN-12, PCN-12’, PCN-608 and PCN-609.2-3 Two different samples were submitted to the National Renewable Energy Laboratory (NREL) in order to validate their hydrogen adsorption capacity, PCN-250 and PCN-12. Neither of these samples reached the project’s Go/No-Go requirements but the data obtained did further prove the hypothesis that the presence of open metal sites oriented towards MOF pores help to surpass the predicted

Case study - Dynamic pressure-limited capacity and costs of CO2 storage in the Mount Simon sandstone

USGS Publications Warehouse

Anderson, Steven T.; Jahediesfanjani, Hossein

2017-01-01

Widespread deployment of carbon capture and storage (CCS) is likely necessary to be able to satisfy baseload electricity demand, to maintain diversity in the energy mix, and to achieve climate and other objectives at the lowest cost. If all of the carbon dioxide (CO2) emissions from stationary sources (such as fossil-fuel burning power plants, and other industrial plants) in the United States needed to be captured and stored, it could be possible to store only a small fraction of this CO2 in oil and natural gas reservoirs, including as a result of CO2 utilization for enhanced oil recovery. The vast majority would have to be stored in saline-filled reservoirs (Dahowski et al., 2005). Given a lack of long-term commercial-scale CCS projects, there is considerable uncertainty in the risks, dynamic capacity, and their cost implications for geologic storage of CO2. Pressure buildup in the storage reservoir is expected to be a primary source of risk associated with CO2 storage, and could severely limit CO2 injection rates (dynamic storage capacities). Most cost estimates for commercial-scale deployment of CCS estimate CO2 storage costs under assumed availability of a theoretical capacity to store tens, hundreds, or even thousands of gigatons of CO2, without considering geologic heterogeneities, pressure limitations, or the time dimension. This could lead to underestimation of the costs of CO2 storage (Anderson, 2017). This paper considers the impacts of pressure limitations and geologic heterogeneity on the dynamic CO2 storage capacity and storage (injection) costs. In the U.S. Geological Survey (USGS)’s National Assessment of Geologic CO2 Storage Resources (USGS, 2013), the mean estimate of the theoretical storage capacity in the Mount Simon Sandstone was about 94 billion metric tons of CO2. However, our results suggest that the pressure-limited capacity after 50 years of injection could be only about 4% of the theoretical geologic storage capacity in this formation

Rapid Amorphization in Metastable CoSeO3·H2O Nanosheets for Ultrafast Lithiation Kinetics.

PubMed

Jiang, Yingchang; Song, Yun; Pan, Zhichang; Meng, Yu; Jiang, Le; Wu, Zeyi; Yang, Peiyu; Gu, Qinfen; Sun, Dalin; Hu, Linfeng

2018-05-02

The realization of high-performance anode materials with high capacity at fast lithiation kinetics and excellent cycle stability remains a significant but critical challenge for high-power applications such as electric vehicles. Two-dimensional nanostructures have attracted considerable research interest in electrochemical energy storage devices owing to their intriguing surface effect and significantly decreased ion-diffusion pathway. Here we describe rationally designed metastable CoSeO 3 ·H 2 O nanosheets synthesized by a facile hydrothermal method for use as a Li ion battery anode. This crystalline nanosheet can be steadily converted into amorphous phase at the beginning of the first Li + discharge cycling, leading to ultrahigh reversible capacities of 1100 and 515 mAh g -1 after 1000 cycles at a high rate of 3 and 10 A g -1 , respectively. The as-obtained amorphous structure experiences an isotropic stress, which can significantly reduce the risk of fracture during electrochemical cycling. Our study offers a precious opportunity to reveal the ultrafast lithiation kinetics associated with the rapid amorphization mechanism in layered cobalt selenide nanosheets.

H2O Paradox and its Implications on H2O in Moon

NASA Astrophysics Data System (ADS)

Zhang, Youxue

2017-04-01

The concentration of H2O in the mantle of a planetary body plays a significant role in the viscosity and partial melting and hence the convection and evolution of the planetary body. Even though the composition of the primitive terrestrial mantle (PTM) is thought to be well known [1-2], the concentration of H2O in PTM remains paradoxial because different methods of estimation give different results [3]: Using H2O/Ce ratio in MORB and OIB and Ce concentration in PTM, the H2O concentration in PTM would be (300÷×1.5) ppm; using mass balance by adding surface water to the mantle [3-4], H2O concentration in PTM would be (900÷×1.3) ppm [2-3]. The inconsistency based on these two seemingly reliable methods is referred to as the H2O paradox [3]. For Moon, H2O contents in the primitive lunar mantle (PLM) estimated from H2O in plagioclase in lunar anorthosite and that from H2O/Ce ratio in melt inclusions are roughly consistent at ˜110 ppm [5-6] even though there is still debate about the volatile depletion trend [7]. One possible solution to the H2O paradox in PTM is to assume that early Earth experienced whole mantle degassing, which lowered the H2O/Ce ratio in the whole mantle but without depleting Ce in the mantle. The second possible solution is that some deep Earth reservoirs with high H2O/Ce ratios have not been sampled by MORB and OIB. Candidates include the transition zone [8] and the D" layer. The third possible solution is that ocean water only partially originated from mantle degassing, but partially from extraterrestrial sources such as comets [9-10]. At present, there is not enough information to determine which scenario is the answer to the H2O paradox. On the other hand, each scenario would have its own implications to H2O in PLM. If the first scenario applies to Moon, because degassed H2O or H2 would have escaped from the lunar surface, the very early lunar mantle could have much higher H2O [11] than that obtained using the H2O/Ce ratio method. The

Exploration of H2O-CO2 Solubility in Alkali Basalt at low-H2O

NASA Astrophysics Data System (ADS)

Roggensack, K.; Allison, C. M.; Clarke, A. B.

2017-12-01

A number of recent experimental studies have found conflicting evidence for and against the influence of H2O on CO2 solubility in basalt and alkali-rich mafic magma (e.g. Behrens et al., 2009; Shishkina et al., 2010;2014; Iacono-Marziano et al., 2012). Some of the uncertainty is due to the error with spectroscopic determination (FTIR) of carbon and the challenge of controlling H2O abundance in experiments. It's been widely observed that even experimental capsules without added H2O may produce hydrous glasses containing several wt.% H2O. We conducted fluid-saturated, mixed-fluid (H2O-CO2) experiments to determine the solubility in alkali basalt with particular emphasis on conditions at low-H2O. To limit possible H2O contamination, materials were dried prior to loading and experimental capsules were sealed under vacuum. Experiments were run using a piston-cylinder, in Pt (pre-soaked in Fe) or AuPd capsules and operating at pressures from 400 to 600 MPa. Post-run the capsules were punctured under vacuum and fluids were condensed, separated, and measured by mercury manometry. A comparison between two experiments run at the same temperature and pressure conditions but with different fluid compositions illustrates the correlation between carbonate and H2O solubility. Uncertainties associated with using concentrations calculated from FTIR data can be reduced by directly comparing analyses on wafers of similar thickness. We observe that the experiment with greater H2O absorbance also has a higher carbonate absorbance than the experiment with lower H2O absorbance. Since the experiments were run at the same pressure, the experiment with more water-rich fluid, and higher dissolved H2O, has lower CO2 fugacity, but surprisingly has higher dissolved CO2 content. Overall, the results show two distinct trends. Experiments conducted at low-H2O (0.5 to 0.8 wt.%) show lower dissolved CO2 than those conducted at moderate-H2O (2 to 3 wt.%) at similar CO2 fugacity. These data show that

Fabrication of (Co,Mn)3O4/rGO Composite for Lithium Ion Battery Anode by a One-Step Hydrothermal Process with H2O2 as Additive

PubMed Central

Li, Zuohua; Cui, Yanhui; Chen, Jun; Deng, Lianlin

2016-01-01

Binary transition metal oxides have been regarded as one of the most promising candidates for high-performance electrodes in energy storage devices, since they can offer high electrochemical activity and high capacity. Rational designing nanosized metal oxide/carbon composite architectures has been proven to be an effective way to improve the electrochemical performance. In this work, the (Co,Mn)3O4 spinel was synthesized and anchored on reduced graphene oxide (rGO) nanosheets using a facile and single hydrothermal step with H2O2 as additive, no further additional calcination required. Analysis showed that this method gives a mixed spinel, i.e. (Co,Mn)3O4, having 2+ and 3+ Co and Mn ions in both the octahedral and tetrahedral sites of the spinel structure, with a nanocubic morphology roughly 20 nm in size. The nanocubes are bound onto the rGO nanosheet uniformly in a single hydrothermal process, then the as-prepared (Co,Mn)3O4/rGO composite was characterized as the anode materials for Li-ion battery (LIB). It can deliver 1130.6 mAh g-1 at current density of 100 mA g-1 with 98% of coulombic efficiency after 140 cycles. At 1000 mA g-1, the capacity can still maintain 750 mAh g-1, demonstrating excellent rate capabilities. Therefore, the one-step process is a facile and promising method to fabricate metal oxide/rGO composite materials for energy storage applications. PMID:27788161

Fabrication of (Co,Mn)3O4/rGO Composite for Lithium Ion Battery Anode by a One-Step Hydrothermal Process with H2O2 as Additive.

PubMed

Li, Zuohua; Cui, Yanhui; Chen, Jun; Deng, Lianlin; Wu, Junwei

2016-01-01

Binary transition metal oxides have been regarded as one of the most promising candidates for high-performance electrodes in energy storage devices, since they can offer high electrochemical activity and high capacity. Rational designing nanosized metal oxide/carbon composite architectures has been proven to be an effective way to improve the electrochemical performance. In this work, the (Co,Mn)3O4 spinel was synthesized and anchored on reduced graphene oxide (rGO) nanosheets using a facile and single hydrothermal step with H2O2 as additive, no further additional calcination required. Analysis showed that this method gives a mixed spinel, i.e. (Co,Mn)3O4, having 2+ and 3+ Co and Mn ions in both the octahedral and tetrahedral sites of the spinel structure, with a nanocubic morphology roughly 20 nm in size. The nanocubes are bound onto the rGO nanosheet uniformly in a single hydrothermal process, then the as-prepared (Co,Mn)3O4/rGO composite was characterized as the anode materials for Li-ion battery (LIB). It can deliver 1130.6 mAh g-1 at current density of 100 mA g-1 with 98% of coulombic efficiency after 140 cycles. At 1000 mA g-1, the capacity can still maintain 750 mAh g-1, demonstrating excellent rate capabilities. Therefore, the one-step process is a facile and promising method to fabricate metal oxide/rGO composite materials for energy storage applications.

Mesoporous Ge/GeO2/Carbon Lithium-Ion Battery Anodes with High Capacity and High Reversibility.

PubMed

Hwang, Jongkook; Jo, Changshin; Kim, Min Gyu; Chun, Jinyoung; Lim, Eunho; Kim, Seongseop; Jeong, Sanha; Kim, Youngsik; Lee, Jinwoo

2015-05-26

We report mesoporous composite materials (m-GeO2, m-GeO2/C, and m-Ge-GeO2/C) with large pore size which are synthesized by a simple block copolymer directed self-assembly. m-Ge/GeO2/C shows greatly enhanced Coulombic efficiency, high reversible capacity (1631 mA h g(-1)), and stable cycle life compared with the other mesoporous and bulk GeO2 electrodes. m-Ge/GeO2/C exhibits one of the highest areal capacities (1.65 mA h cm(-2)) among previously reported Ge- and GeO2-based anodes. The superior electrochemical performance in m-Ge/GeO2/C arises from the highly improved kinetics of conversion reaction due to the synergistic effects of the mesoporous structures and the conductive carbon and metallic Ge.

Hydrothermal Syntheses and Structures of Three-Dimensional Oxo-fluorovanadium Phosphates: [H 2N(C 2H 4) 2NH 2] 0.5[(VO) 4V(HPO 4) 2(PO 4) 2F 2(H 2O) 4] · 2H 2O and K 2[(VO) 3(PO 4) 2F 2(H 2O)] · H 2O

NASA Astrophysics Data System (ADS)

Bonavia, Grant; Haushalter, R. C.; Zubieta, Jon

1996-11-01

The hydrothermal reactions of FPO3H2with vanadium oxides result in the incorporation of fluoride into V-P-O frameworks as a consequence of metal-mediated hydrolysis of the fluorophosphoric acid to produce F-and PO3-4. By exploiting this convenient source of F-, two 3-dimensional oxo-fluorovanadium phosphate phases were isolated, [H2N(C2H4)2NH2]0.5[(VO)4V(HOP4)2(PO4)2F2(H2O)4) · 2H2O (1 · 2H2O) and K2[(VO)3(PO4)2F2(H2O)] · H2O (2 · H2O). Both anionic frameworks contain (VIVO)-F--phosphate layers, with confacial bioctahedral {(VIVO)2FO6} units as the fundamental motif. In the case of 1, the layers are linked through {VIIIO6} octahedra, while for 2 the interlayer connectivity is provided by edge-sharing {(VIVO)2F2O6} units. Crystal data are 1 · 2H2O, CH10FN0.5O13P2V2.5, monoclinicC2/m,a= 18.425(4) Å,c= 8.954(2) Å, β = 93.69(2)0,V= 1221.1(4) Å3,Z= 4,Dcalc= 2.423 g cm-3; 2 · H2O, H4F2K2O13P2V3, triclinicPoverline1,a= 7.298(1) Å,b= 8.929(2) Å,c = 10.090(2) Å, α = 104.50(2)0, β = 100.39(2)0, δ = 92.13(2)0,V= 623.8(3) Å3,Z= 2,Dcalc= 2.891 g cm-3.

H-TiO2/C/MnO2 nanocomposite materials for high-performance supercapacitors

NASA Astrophysics Data System (ADS)

Di, Jing; Fu, Xincui; Zheng, Huajun; Jia, Yi

2015-06-01

Functionalized TiO2 nanotube arrays with decoration of MnO2 nanoparticles (denoted as H-TiO2/C/MnO2) have been synthesized in the application of electrochemical capacitors. To improve both areal and gravimetric capacitance, hydrogen treatment and carbon coating process were conducted on TiO2 nanotube arrays. By scanning electron microscopy and X-ray photoelectron spectroscopy, it is confirmed that the nanostructure is formed by the uniform incorporation of MnO2 nanoparticles growing round the surface of the TiO2 nanotube arrays. Impedance analysis proves that the enhanced capacitive is due to the decrease of charge transfer resistance and diffusion resistance. Electrochemical measurements performed on this H-TiO2/C/MnO2 nanocomposite when used as an electrode material for an electrochemical pseudocapacitor presents quasi-rectangular shaped cyclic voltammetry curves up to 100 mV/s, with a large specific capacitance (SC) of 299.8 F g-1 at the current density of 0.5 A g-1 in 1 M Na2SO4 electrolyte. More importantly, the electrode also exhibits long-term cycling stability, only 13 % of SC loss after 2000 continuous charge-discharge cycles. Based on the concept of integrating active materials on highly ordered nanostructure framework, this method can be widely applied to the synthesis of high-performance electrode materials for energy storage.

Immobilization of Alkali Metal Fluorides via Recrystallization in a Cationic Lamellar Material, [Th(MoO4)(H2O)4Cl]Cl·H2O.

PubMed

Lin, Jian; Bao, Hongliang; Qie, Meiying; Silver, Mark A; Yue, Zenghui; Li, Xiaoyun; Zhu, Lin; Wang, Xiaomei; Zhang, Linjuan; Wang, Jian-Qiang

2018-06-05

Searching for cationic extended materials with a capacity for anion exchange resulted in a unique thorium molybdate chloride (TMC) with the formula of [Th(MoO 4 )(H 2 O) 4 Cl]Cl·H 2 O. The structure of TMC is composed of zigzagging cationic layers [Th(MoO 4 )(H 2 O) 4 Cl] + with Cl - as interlamellar charge-balancing anions. Instead of performing ion exchange, alkali thorium fluorides were formed after soaking TMC in AF (A = Na, K, and Cs) solutions. The mechanism of AF immobilization is elucidated by the combination of SEM-EDS, PXRD, FTIR, and EXAFS spectroscopy. It was observed that four water molecules coordinating with the Th 4+ center in TMC are vulnerable to competition with F - , due to the formation of more favorable Th-F bonds compared to Th-OH 2 . This leads to a single crystal-to-polycrystalline transformation via a pathway of recrystallization to form alkali thorium fluorides.

Novel Process of Simultaneous Removal of Nitric Oxide and Sulfur Dioxide Using a Vacuum Ultraviolet (VUV)-Activated O2/H2O/H2O2 System in A Wet VUV-Spraying Reactor.

PubMed

Liu, Yangxian; Wang, Qian; Pan, Jianfeng

2016-12-06

A novel process for NO and SO 2 simultaneous removal using a vacuum ultraviolet (VUV, with 185 nm wavelength)-activated O 2 /H 2 O/H 2 O 2 system in a wet VUV-spraying reactor was developed. The influence of different process variables on NO and SO 2 removal was evaluated. Active species (O 3 and ·OH) and liquid products (SO 3 2- , NO 2 - , SO 4 2- , and NO 3 - ) were analyzed. The chemistry and routes of NO and SO 2 removal were investigated. The oxidation removal system exhibits excellent simultaneous removal capacity for NO and SO 2 , and a maximum removal of 96.8% for NO and complete SO 2 removal were obtained under optimized conditions. SO 2 reaches 100% removal efficiency under most of test conditions. NO removal is obviously affected by several process variables. Increasing VUV power, H 2 O 2 concentration, solution pH, liquid-to-gas ratio, and O 2 concentration greatly enhances NO removal. Increasing NO and SO 2 concentration obviously reduces NO removal. Temperature has a dual impact on NO removal, which has an optimal temperature of 318 K. Sulfuric acid and nitric acid are the main removal products of NO and SO 2 . NO removals by oxidation of O 3 , O·, and ·OH are the primary routes. NO removals by H 2 O 2 oxidation and VUV photolysis are the complementary routes. A potential scaled-up removal process was also proposed initially.

Do aerosols influence the diurnal variation of H2O2 in the atmosphere?

NASA Astrophysics Data System (ADS)

Liang, H.; Chen, Z.; Wu, Q.; Huang, D.; Zhao, Y.

2013-12-01

Hydrogen peroxide (H2O2) and organic peroxides are crucial reactive species that are involved in the cycling of HOx (OH and HO2) radicals and the formation of secondary inorganic and organic aerosols in the atmosphere. Despite the importance of peroxides, their formation and removal mechanisms with the coexistence of aerosols are as yet less well known. From June 10 to July 15 2013, summertime surface measurements for atmospheric peroxides were simultaneously obtained in urban Beijing (UB) and Gucheng (GC). The UB site is located in the northern downtown of Beijing city, while the GC site is a rural site located in the North China Plain and ~100 km southwest of Beijing. In both sites, the major peroxides were determined to be H2O2, methyl hydroperoxide (MHP), peroxyformic acid (PFA) and peroxyacetic acid (PAA). By comparing the concentrations of PFA and PAA in the gas phase and rainwater, for the first time, we estimated the Henry's law constant for PFA as ~210 M atm-1 at 298 K, a quarter of that for PAA. Interestingly, we observed different H2O2 profiles in the two sites as follows: (i) the average concentration of H2O2 in UB was 50% higher than that in GC; (ii) H2O2 in GC reached its peak concentration at around 15:30, whereas the peak concentration in UB appeared at as late as 21:00; and (iii) the daily variation of H2O2 in GC generally kept consistent with that of O3 and organic peroxides while it was not always the case in UB. These differences indicate a hitherto unrecognized storage-release mechanism for H2O2 in UB, that is, an extra sink in the noontime and an extra source in the early evening. The extra source of H2O2 would enhance the aerosol phase OH radical in the early evening by the Fenton reaction. A box model analysis shows that the impacts of aerosols were majorly responsible to this unrecognized mechanism, although NOx, regional transport and planet boundary layer height also contributed a minor part. Aerosols participated in the storage

[Canopy rainfall storage capacity of tropical seasonal rainforest and rubber plantation in Xishuangbanna].

PubMed

Wang, Xin; Zhang, Yiping

2006-10-01

Based on the 2003-2004 laboratory and field observation data, and with scaling-up method, this paper studied the canopy rainfall storage capacity of tropical seasonal rainforest and rubber plantation in Xishuangbanna. The results showed that the canopy rainfall storage capacity was 0.45-0.79 mm for tropical seasonal rainforest and 0.48-0.71 mm for rubber plantation, and that of the branch and bark accounted for >50 % of the total. For these two forests, the canopy rainfall storage capacity was much higher in foggy season (from November to February) and dry-hot season (from March to April) than in rainy season (from May to October), and the duration needed to reach water saturation was about 5 min for leaf, 2-3 h for bark, and 2. 5-4 h for branch. During the processes of wetting and air-drying, leaf was easier while branch and bark were somewhat difficult to hold water and then be air-dried, suggesting that leaf played an important role in intercepting rainfall in short-duration rainfall events, while branch and bark could work much better in doing this in long-duration or high-intensity rainfall events. Compared with rubber plantation, tropical seasonal rainforest had a stronger rainfall-storage capacity due to its multi-layer structure of canopy and excellent water-holding performance.

Synthesis of MoS2 and MoO2 for their applications in H2 generation and lithium ion batteries: a review.

PubMed

Zhao, Yufei; Zhang, Yuxia; Yang, Zhiyu; Yan, Yiming; Sun, Kening

2013-08-01

Scientists increasingly witness the applications of MoS 2 and MoO 2 in the field of energy conversion and energy storage. On the one hand, MoS 2 and MoO 2 have been widely utilized as promising catalysts for electrocatalytic or photocatalytic hydrogen evolution in aqueous solution. On the other hand, MoS 2 and MoO 2 have also been verified as efficient electrode material for lithium ion batteries. In this review, the synthesis, structure and properties of MoS 2 and MoO 2 are briefly summarized according to their applications for H 2 generation and lithium ion batteries. Firstly, we overview the recent advancements in the morphology control of MoS 2 and MoO 2 and their applications as electrocatalysts for hydrogen evolution reactions. Secondly, we focus on the photo-induced water splitting for H 2 generation, in which MoS 2 acts as an important co-catalyst when combined with other semiconductor catalysts. The newly reported research results of the significant functions of MoS 2 nanocomposites in photo-induced water splitting are presented. Thirdly, we introduce the advantages of MoS 2 and MoO 2 for their enhanced cyclic performance and high capacity as electrode materials of lithium ion batteries. Recent key achievements in MoS 2 - and MoO 2 -based lithium ion batteries are highlighted. Finally, we discuss the future scope and the important challenges emerging from these fascinating materials.

Expansion of antimonato polyoxovanadates with transition metal complexes: (Co(N3C5H15)2)2[{Co(N3C5H15)2}V15Sb6O42(H2O)]·5H2O and (Ni(N3C5H15)2)2[{Ni(N3C5H15)2}V15Sb6O42(H2O)]·8H2O.

PubMed

Antonova, Elena; Näther, Christian; Kögerler, Paul; Bensch, Wolfgang

2012-02-20

Two new polyoxovanadates (Co(N(3)C(5)H(15))(2))(2)[{Co(N(3)C(5)H(15))(2)}V(15)Sb(6)O(42)(H(2)O)]·5H(2)O (1) and (Ni(N(3)C(5)H(15))(2))(2)[{Ni(N(3)C(5)H(15))(2)}V(15)Sb(6)O(42)(H(2)O)]·8H(2)O (2) (N(3)C(5)H(15) = N-(2-aminoethyl)-1,3-propanediamine) were synthesized under solvothermal conditions and structurally characterized. In both structures the [V(15)Sb(6)O(42)(H(2)O)](6-) shell displays the main structural motif, which is strongly related to the {V(18)O(42)} archetype cluster. Both compounds crystallize in the triclinic space group P1 with a = 14.3438(4), b = 16.6471(6), c = 18.9186(6) Å, α = 87.291(3)°, β = 83.340(3)°, γ = 78.890(3)°, and V = 4401.4(2) Å(3) (1) and a = 14.5697(13), b = 15.8523(16), c = 20.2411(18) Å, α = 86.702(11)°, β = 84.957(11)°, γ = 76.941(11)°, and V = 4533.0(7) Å(3) (2). In the structure of 1 the [V(15)Sb(6)O(42)(H(2)O)](6-) cluster anion is bound to a [Co(N(3)C(5)H(15))(2)](2+) complex via a terminal oxygen atom. In the Co(2+)-centered complex, one of the amine ligands coordinates in tridentate mode and the second one in bidentate mode to form a strongly distorted CoN(5)O octahedron. Similarly, in compound 2 an analogous NiN(5)O complex is joined to the [V(15)Sb(6)O(42)(H(2)O)](6-) anion via the same attachment mode. A remarkable difference between the two compounds is the orientation of the noncoordinated propylamine group leading to intermolecular Sb···O contacts in 1 and to Sb···N interactions in 2. In the solid-state lattices of 1 and 2, two additional [M(N(3)C(5)H(15))(2)](2+) complexes act as countercations and are located between the [{M(N(3)C(5)H(15))(2)}V(15)Sb(6)O(42)(H(2)O)](4-) anions. Between the anions and cations strong N-H···O hydrogen bonds are observed. In both compounds the clusters are stacked along the b axis in an ABAB fashion with cations and water molecules occupying the space between the clusters. Magnetic characterization demonstrates that the Ni(2+) and Co(2+) cations do not

Vibrational spectroscopy of NO + (H2O)n: Evidence for the intracluster reaction NO + (H2O)n --> H3O + (H2O)n - 2 (HONO) at n => 4

NASA Astrophysics Data System (ADS)

Choi, Jong-Ho; Kuwata, Keith T.; Haas, Bernd-Michael; Cao, Yibin; Johnson, Matthew S.; Okumura, Mitchio

1994-05-01

Infrared spectra of mass-selected clusters NO+(H2O)n for n=1 to 5 were recorded from 2700 to 3800 cm-1 by vibrational predissociation spectroscopy. Vibrational frequencies and intensities were also calculated for n=1 and 2 at the second-order Møller-Plesset (MP2) level, to aid in the interpretation of the spectra, and at the singles and doubles coupled cluster (CCSD) level energies of n=1 isomers were computed at the MP2 geometries. The smaller clusters (n=1 to 3) were complexes of H2O ligands bound to a nitrosonium ion NO+ core. They possessed perturbed H2O stretch bands and dissociated by loss of H2O. The H2O antisymmetric stretch was absent in n=1 and gradually increased in intensity with n. In the n=4 clusters, we found evidence for the beginning of a second solvation shell as well as the onset of an intracluster reaction that formed HONO. These clusters exhibited additional weak, broad bands between 3200 and 3400 cm-1 and two new minor photodissociation channels, loss of HONO and loss of two H2O molecules. The reaction appeared to go to completion within the n=5 clusters. The primary dissociation channel was loss of HONO, and seven vibrational bands were observed. From an analysis of the spectrum, we concluded that the n=5 cluster rearranged to form H3O+(H2O)3(HONO), i.e., an adduct of the reaction products.

Rational Design of Hierarchically Core-Shell Structured Ni3 S2 @NiMoO4 Nanowires for Electrochemical Energy Storage.

PubMed

Chen, Fangshuai; Ji, Shan; Liu, Quanbing; Wang, Hui; Liu, Hao; Brett, Dan J L; Wang, Guoxiu; Wang, Rongfang

2018-05-30

Rational design and controllable synthesis of nanostructured materials with unique microstructure and excellent electrochemical performance for energy storage are crucially desired. In this paper, a facile method is reported for general synthesis of hierarchically core-shell structured Ni 3 S 2 @NiMoO 4 nanowires (NWs) as a binder-free electrode for asymmetric supercapacitors. Due to the intimate contact between Ni 3 S 2 and NiMoO 4 , the hierarchical structured electrodes provide a promising unique structure for asymmetric supercapacitors. The as-prepared binder-free Ni 3 S 2 @NiMoO 4 electrode can significantly improve the electrical conductivity between Ni 3 S 2 and NiMoO 4 , and effectively avoid the aggregation of NiMoO 4 nanosheets, which provide more active space for storing charge. The Ni 3 S 2 @NiMoO 4 electrode presents a high areal capacity of 1327.3 µAh cm -2 and 67.8% retention of its initial capacity when current density increases from 2 to 40 mA cm -2 . In a two-electrode Ni 3 S 2 @NiMoO 4 //active carbon cell, the active materials deliver a high energy density of 121.5 Wh kg -1 at a power density of 2.285 kW kg -1 with excellent cycling stability. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Dehydration of the Uranyl Peroxide Studtite, [UO 2(η 2-O 2)(H 2O) 2]·2H 2O, Affords a Drastic Change in the Electronic Structure: A Combined X-ray Spectroscopic and Theoretical Analysis

DOE Office of Scientific and Technical Information (OSTI.GOV)

Vitova, Tonya; Pidchenko, Ivan; Biswas, Saptarshi

The dehydration of studtite, [UO 2(2-O 2)(H 2O)2]·2H 2O, to metastudtite, [UO 2(2-O 2)(H 2O) 2], uranyl peroxide minerals that are major oxidative alteration phases of UO2 under conditions of geological storage, has been studied using X-ray photoelectron spectroscopy (XPS) and X-ray absorption spectroscopy. XPS of the U 4f region shows small but significant differences between studtite and metastudtite, with the 4f binding energy of studtite the highest reported for a uranyl mineral studied by this technique. Further information on the changes in the electronic structure was elucidated using U M4-edge High Energy Resolution XANES (HR-XANES) spectroscopy, which directly probesmore » f-orbital states. The transition from the 3d to the 5f* orbital is sensitive to variations of the U=Oaxial bond length and to changes in the bond covalency. We report evidences that the covalence in the uranyl fragment decreases upon dehydration. Photoluminescence spectroscopy at near liquid helium temperatures reveals significant spectral differences between the two materials, correlating with the X-ray spectroscopy results. A theoretical investigation has been conducted on the structures of both studtite and metastudtite and benchmarked to the HR-XANES spectra. These illustrate the sensitivity of the 3d to the 5f * transition towards U=Oaxial bond variation.« less

Crystal chemistry of hydrous phases in the Al2O3-Fe2O3-H2O system: implications for water cycle in the deep lower mantle

NASA Astrophysics Data System (ADS)

Zhang, L.

2016-12-01

Hydrous minerals play an important role in the transportation and storage of water in the Earth's interior. Recently a pyrite-structured iron oxide (FeO2) (P-phase) was found stable at 76 GPa and 1800 K [1] and this discovery has brought new insights into the H2-O2 cycles in the deep mantle. In this study, we perform in situ synchrotron X-ray experiments in the Al2O3-Fe2O3-H2O system in a laser-heated diamond anvil cell (DAC) at P-T conditions in the deep lower mantle. The new results added more complexity to the H2-O2/H2O cycles in the deep lower mantle. The symmetry and unit-cell parameters of each phase in the run products were determined using the multigrain approach [2]. On the other hand, the d-H solid solution AlOOH-MgSiO2(OH)2 is the stable hydrous phase coexisting with bridgmanite or post-perovskite under equilibrium P-T conditions to the deepest lower mantle [3]. The detailed crystal chemistry of the newly found hydrous phases and its relations to the d-H phase have been investigated using both first-principles calculations and experiments, providing new understanding to the hydration mechanism and water storage in the deep mantle. It is worth mentioning that recent development in high pressure multigrain method has realized separation of each individual phase in a multiphase assemblage and even allowed in situ crystal structure determination of a minor phase in the assemblage contained in a DAC [4]. [1] Q. Hu, D. Y. Kim, W. Yang, L. Yang, Y. Meng, L. Zhang, and H. K. Mao, Nature 534, 241 (2016). [2] H. O. Sørensen et al., Zeitschrift für Kristallographie 227, 63 (2012). [3] I. Ohira, E. Ohtani, T. Sakai, M. Miyahara, N. Hirao, Y. Ohishi, and M. Nishijima, Earth and Planetary Science Letters 401, 12 (2014). [4] L. Zhang, D. Popov, Y. Meng, J. Wang, C. Ji, B. Li, and H.-k. Mao, American Mineralogist 101, 231 (2016).

Synthesis of hierarchical porous δ-MnO2 nanoboxes as an efficient catalyst for rechargeable Li-O2 batteries

NASA Astrophysics Data System (ADS)

Zhang, Jian; Luan, Yanping; Lyu, Zhiyang; Wang, Liangjun; Xu, Leilei; Yuan, Kaidi; Pan, Feng; Lai, Min; Liu, Zhaolin; Chen, Wei

2015-09-01

A rechargeable lithium-oxygen (Li-O2) battery with a remarkably high theoretical energy storage capacity has attracted enormous research attention. However, the poor oxygen reduction and oxygen evolution reaction (ORR and OER) activities in discharge and charge processes cause low energy efficiency, poor electrolyte stability and short cycle life. This requires the development of efficient cathode catalysts to dramatically improve the Li-O2 battery performances. MnO2-based materials are recognized as efficient and low-cost catalysts for a Li-O2 battery cathode. Here, we report a controllable approach to synthesize hierarchical porous δ-MnO2 nanoboxes by using Prussian blue analogues as the precursors. The obtained products possess hierarchical pore size and an extremely large surface area (249.3 m2 g-1), which would favour oxygen transportation and provide more catalytically active sites to promote ORR and OER as the Li-O2 battery cathode. The battery shows enhanced discharge capacity (4368 mA h g-1@0.08 mA cm-2), reduced overpotential (270 mV), improved rate performance and excellent cycle stability (248 cycles@500 mA h g-1 and 112 cycles@1000 mA h g-1), in comparison with the battery with a VX-72 carbon cathode. The superb performance of the hierarchical porous δ-MnO2 nanoboxes, together with a convenient fabrication method, presents an alternative to develop advanced cathode catalysts for the Li-O2 battery.A rechargeable lithium-oxygen (Li-O2) battery with a remarkably high theoretical energy storage capacity has attracted enormous research attention. However, the poor oxygen reduction and oxygen evolution reaction (ORR and OER) activities in discharge and charge processes cause low energy efficiency, poor electrolyte stability and short cycle life. This requires the development of efficient cathode catalysts to dramatically improve the Li-O2 battery performances. MnO2-based materials are recognized as efficient and low-cost catalysts for a Li-O2 battery

Enriching the hydrogen storage capacity of carbon nanotube doped with polylithiated molecules

NASA Astrophysics Data System (ADS)

Panigrahi, P.; Naqvi, S. R.; Hankel, M.; Ahuja, R.; Hussain, T.

2018-06-01

In a quest to find optimum materials for efficient storage of clean energy, we have performed first principles calculations to study the structural and energy storage properties of one-dimensional carbon nanotubes (CNTs) functionalized with polylithiated molecules (PLMs). Van der Waals corrected calculations disclosed that various PLMs like CLi, CLi2, CLi3, OLi, OLi2, OLi3, bind strongly to CNTs even at high doping concentrations ensuring a uniform distribution of dopants without forming clusters. Bader charge analysis reveals that each Li in all the PLMs attains a partial positive charge and transform into Li+ cations. This situation allows multiple H2 molecules adsorbed with each Li+ through the polarization of incident H2 molecules via electrostatic and van der Waals type of interaction. With a maximum doping concentration, that is 3CLi2/3CLi3 and 3OLi2/3OLi3 a maximum of 36 H2 molecules could be adsorbed that corresponds to a reasonably high H2 storage capacity with the adsorption energies in the range of -0.33 to -0.15 eV/H2. This suits the ambient condition applications.

Synthesis of Nanoscale CaO-Al2O3-SiO2-H2O and Na2O-Al2O3-SiO2-H2O Using the Hydrothermal Method and Their Characterization

PubMed Central

Yang, Jingbin; Li, Dongxu; Fang, Yuan

2017-01-01

C-A-S-H (CaO-Al2O3-SiO2-H2O) and N-A-S-H (Na2O-Al2O3-SiO2-H2O) have a wide range of chemical compositions and structures and are difficult to separate from alkali-activated materials. Therefore, it is difficult to analyze their microscopic properties directly. This paper reports research on the synthesis of C-A-S-H and N-A-S-H particles with an average particle size smaller than 300 nm by applying the hydrothermal method. The composition and microstructure of the products with different CaO(Na2O)/SiO2 ratios and curing conditions were characterized using XRD, the RIR method, FTIR, SEM, TEM, and laser particle size analysis. The results showed that the C-A-S-H system products with a low CaO/SiO2 ratio were mainly amorphous C-A-S-H gels. With an increase in the CaO/SiO2 ratio, an excess of Ca(OH)2 was observed at room temperature, while in a high-temperature reaction system, katoite, C4AcH11, and other crystallized products were observed. The katoite content was related to the curing temperature and the content of Ca(OH)2 and it tended to form at a high-temperature and high-calcium environment, and an increase in the temperature renders the C-A-S-H gels more compact. The main products of the N-A-S-H system at room temperature were amorphous N-A-S-H gels and a small amount of sodalite. An increase in the curing temperature promoted the formation of the crystalline products faujasite and zeolite-P. The crystallization products consisted of only zeolite-P in the high-temperature N-A-S-H system and its content were stable above 70%. An increase in the Na2O/SiO2 ratio resulted in more non-bridging oxygen and the TO4 was more isolated in the N-A-S-H structure. The composition and microstructure of the C-A-S-H and N-A-S-H system products synthesized by the hydrothermal method were closely related to the ratio of the raw materials and the curing conditions. The results of this study increase our understanding of the hydration products of alkali-activated materials. PMID

Charge Modulation in Graphitic Carbon Nitride as a Switchable Approach to High-Capacity Hydrogen Storage.

PubMed

Tan, Xin; Kou, Liangzhi; Tahini, Hassan A; Smith, Sean C

2015-11-01

Electrical charging of graphitic carbon nitride nanosheets (g-C4 N3 and g-C3 N4 ) is proposed as a strategy for high-capacity and electrocatalytically switchable hydrogen storage. Using first-principle calculations, we found that the adsorption energy of H2 molecules on graphitic carbon nitride nanosheets is dramatically enhanced by injecting extra electrons into the adsorbent. At full hydrogen coverage, the negatively charged graphitic carbon nitride achieves storage capacities up to 6-7 wt %. In contrast to other hydrogen storage approaches, the storage/release occurs spontaneously once extra electrons are introduced or removed, and these processes can be simply controlled by switching on/off the charging voltage. Therefore, this approach promises both facile reversibility and tunable kinetics without the need of specific catalysts. Importantly, g-C4 N3 has good electrical conductivity and high electron mobility, which can be a very good candidate for electron injection/release. These predictions may prove to be instrumental in searching for a new class of high-capacity hydrogen storage materials. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Open-Structured V 2 O 5 · n H 2 O Nanoflakes as Highly Reversible Cathode Material for Monovalent and Multivalent Intercalation Batteries

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wang, Huali; Bi, Xuanxuan; Bai, Ying

The high-capacity cathode material V2O5·nH2O has attracted considerable attention for metal ion batteries due to the multielectron redox reaction during electrochemical processes. It has an expanded layer structure, which can host large ions or multivalent ions. However, structural instability and poor electronic and ionic conductivities greatly handicap its application. Here, in cell tests, self-assembly V2O5·nH2O nanoflakes shows excellent electrochemical performance with either monovalent or multivalent cation intercalation. They are directly grown on a 3D conductive stainless steel mesh substrate via a simple and green hydrothermal method. Well-layered nanoflakes are obtained after heat treatment at 300 °C (V2O5·0.3H2O). Nanoflakes with ultrathinmore » flower petals deliver a stable capacity of 250 mA h g-1 in a Li-ion cell, 110 mA h g-1 in a Na-ion cell, and 80 mA h g-1 in an Al-ion cell in their respective potential ranges (2.0–4.0 V for Li and Na-ion batteries and 0.1–2.5 V for Al-ion battery) after 100 cycles.« less

Phase change of hydromagnesite, Mg5(CO3)4(OH)2 4H2O by thermal decomposition

NASA Astrophysics Data System (ADS)

Yamamoto, G. I.; Kyono, A.; Tamura, T.

2017-12-01

In recent years, the global warming is the most important environment problem, and thus attempts of CO2 geological storage have been made to remove carbon dioxide from the atmosphere all over the world (XUE and Nakao 2008). Regarding mineral CO2 sequestration, CO2 is chemically stored in solid carbonates by carbonation of minerals. Magnesium and calcium carbonates have long been known as a good CO2 storage. Hydrous magnesium carbonates can be, however, considered as much better candidates for CO2 storage because they precipitate easily from aqueous solutions. The typical hydrous magnesium carbonates are nesquehonite, MgCO3 3H2O and hydromagnesite, Mg5(CO3)4(OH)2 4H2O. Concerning their thermal properties, the former has been studied in detail, whereas, the latter is not enough. In this study, we performed in-site high-temperature X-ray diffraction (XRD) and thermogravimetric and differential thermal (TG-DTA) analyses to reveal the phase change of hydromagnesite at high temperature. The high-temperature XRD and TG-DTA were measured up to 320 oC and 550 oC, respectively. The results of in-site high-temperature XRD showed that, no significant change was observed up to 170 oC. With increasing temperature, the intensities of started to decrease at 200 oC, and all peaks disappeared at 290 oC. Above the temperature of the decomposition a few peaks corresponding to periclase appeared. The results of TG-DTA clearly showed that there were two weight loss steps in the temperature range of 200 to 340 oC and 340 to 500 oC, which correspond to the dehydration and decarbonation of hydromagnesite, respectively. These weight losses were accompanied by the endothermic maxima in the DTA. The dihydroxylation of hydromagnesite is spread over the two steps. Therefore, hydromagnesite decomposes into periclase, carbon dioxide, and water without passing through magnesite around 300 oC as following reaction: Mg5(CO3)4(OH)2 4H2O → 5MgO + 4CO2 + 5H2O.

Synthesis of Mesoporous Co2+-Doped TiO2 Nanodisks Derived from Metal Organic Frameworks with Improved Sodium Storage Performance.

PubMed

Hong, Zhensheng; Kang, Meiling; Chen, Xiaohui; Zhou, Kaiqiang; Huang, Zhigao; Wei, Mingdeng

2017-09-20

TiO 2 is a most promising anode candidate for rechargeable Na-ion batteries (NIBs) because of its appropriate working voltage, low cost, and superior structural stability during chage/discharge process. Nevertheless, it suffers from intrinsically low electrical conductivity. Herein, we report an in situ synthesis of Co 2+ -doped TiO 2 through the thermal treatment of metal organic frameworks precursors of MIL-125(Ti)-Co as a superior anode material for NIBs. The Co 2+ -doped TiO 2 possesses uniform nanodisk morphology, a large surface area and mesoporous structure with narrow pore distribution. The reversible capacity, Coulombic efficiency (CE) and rate capability can be improved by Co 2+ doping in mesoporous TiO 2 anode. Co 2+ -doped mesoporous TiO 2 nanodisks exhibited a high reversible capacity of 232 mAhg -1 at 0.1 Ag 1- , good rate capability and cycling stability with a stable capacity of about 140 mAhg -1 at 0.5 Ag 1- after 500 cycles. The enhanced Na-ion storage performance could be due to the increased electrical conductivity revealed by Kelvin probe force microscopy measurements.

Photoassisted Oxygen Reduction Reaction in H2 -O2 Fuel Cells.

PubMed

Zhang, Bingqing; Wang, Shengyang; Fan, Wenjun; Ma, Weiguang; Liang, Zhenxing; Shi, Jingying; Liao, Shijun; Li, Can

2016-11-14

The oxygen reduction reaction (ORR) is a key step in H 2 -O 2 fuel cells, which, however, suffers from slow kinetics even for state-of-the-art catalysts. In this work, by making use of photocatalysis, the ORR was significantly accelerated with a polymer semiconductor (polyterthiophene). The onset potential underwent a positive shift from 0.66 to 1.34 V, and the current was enhanced by a factor of 44 at 0.6 V. The improvement was further confirmed in a proof-of-concept light-driven H 2 -O 2 fuel cell, in which the open circuit voltage (V oc ) increased from 0.64 to 1.18 V, and the short circuit current (J sc ) was doubled. This novel tandem structure combining a polymer solar cell and a fuel cell enables the simultaneous utilization of photo- and electrochemical energy, showing promising potential for applications in energy conversion and storage. © 2016 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Novel Carbon (C)-Boron (B)-Nitrogen (N)-Containing H2 Storage Materials

DOE Office of Scientific and Technical Information (OSTI.GOV)

Liu, Shih-Yuan; Giustra, Zachary X.; Autrey, Tom

The following summarizes the research conducted for DOE project DE-EE0005658 “Novel Carbon(C)-Boron(B)-Nitrogen(N)-Containing H2 Storage Materials”. This work focused in part on the continued study of two materials identified from the preceding project DE-FG360GO18143 (“Hydrogen Storage by Novel CBN Heterocycle Materials”) as lead candidates to meet the DOE technical targets for either vehicular or non-automotive hydrogen storage applications. Specifically, a room-temperature liquid, 3-methyl-1,2-cyclopentane (B), and a high H2 capacity solid, 1,2-BN-cyclohexane (J), were selected for further characterization and performance optimization. In addition to these compounds, the current project also aimed to prepare several new materials predicted to be disposed towards directmore » reversibility of H2 release and uptake, a feature deemed critical to achieving efficient recycling of spent fuel end products. To assist in the rational design of these and other next-generation materials, this project undertook to investigate the mechanism of hydrogen release from established compounds (mainly B and J) using a combined experimental/computational approach. Among this project’s signature accomplishments, the preliminary synthetic route to B was optimized for production on decagram scale. With such quantities of material available, its performance in powering an actual 30 W proton exchange membrane (PEM) fuel cell stack was tested and found to be identical to that of facility H2. Despite this positive proof-of-concept achievement, however, further consideration of neat B as a potential hydrogen storage material was abandoned due to evidence of thermal instability. Specifically, mass spectrometry-coupled thermogravimetric analysis (TGA-MS) revealed significant H2 release from B to initiate at 50 °C, well below the 60 °C minimum threshold set by the DOE. This result prompted a more extensive investigation in the decomposition mechanism of B vis-à-vis that of J

MoO2-ordered mesoporous carbon hybrids as anode materials with highly improved rate capability and reversible capacity for lithium-ion battery.

PubMed

Chen, Ailian; Li, Caixia; Tang, Rui; Yin, Longwei; Qi, Yongxin

2013-08-28

A novel hybrid of MoO2-ordered mesoporous carbon (MoO2-OMC) was prepared through a two-step solvothermal chemical reaction route. The electrochemical performances of the mesoporous MoO2-OMC hybrids were examined using galvanostatical charge-discharge, cyclic voltammetry, and electrochemical impedance spectroscopy (EIS) techniques. The MoO2-OMC hybrid exhibits significantly improved electrochemical performance of high reversible capacity, high-rate capability, and excellent cycling performance as an anode electrode material for Li ion batteries. It is revealed that the MoO2-OMC hybrid could deliver the first discharge capacity of 1641.8 mA h g(-1) with an initial Coulombic efficiency of 63.6%, and a reversible capacity as high as 1049.1 mA h g(-1) even after 50 cycles at a current density of 100 mA g(-1), much higher than the theoretical capacity of MoO2 (838 mA h g(-1)) and OMC materials. The MoO2-OMC hybrid demonstrates an excellent high rate capability with capacity of ∼600 mA h g(-1) even at a charge current density of 1600 mA g(-1) after 50 cycles, which is approximately 11.1 times higher than that of the OMC (54 mA h g(-1)) materials. The improved rate capability and reversible capacity of the MoO2-OMC hybrid are attributed to a synergistic reaction between the MoO2 nanoparticles and mesoporous OMC matrices. It is noted that the electrochemical performance of the MoO2-OMC hybrid is evidently much better than the previous MoO2-based hybrids.

Molecular simulation study of the competitive adsorption of H2O and CO2 in zeolite 13X.

PubMed

Joos, Lennart; Swisher, Joseph A; Smit, Berend

2013-12-23

The presence of H2O in postcombustion gas streams is an important technical issue for deploying CO2-selective adsorbents. Because of its permanent dipole, H2O can interact strongly with materials where the selectivity for CO2 is a consequence of its quadrupole interacting with charges in the material. We performed molecular simulations to model the adsorption of pure H2O and CO2 as well as H2O/CO2 mixtures in 13X, a popular zeolite for CO2 capture processes that is commercially available. The simulations show that H2O reduces the capacity of these materials for adsorbing CO2 by an order of magnitude and that at the partial pressures of H2O relevant for postcombustion capture, 13X will be essentially saturated with H2O .

Cross section data sets for electron collisions with H2, O2, CO, CO2, N2O and H2O

NASA Astrophysics Data System (ADS)

Anzai, K.; Kato, H.; Hoshino, M.; Tanaka, H.; Itikawa, Y.; Campbell, L.; Brunger, M. J.; Buckman, S. J.; Cho, H.; Blanco, F.; Garcia, G.; Limão-Vieira, P.; Ingólfsson, O.

2012-02-01

We review earlier cross section data sets for electron-collisions with H2, O2, CO, CO2, H2O and N2O, updated here by experimental results for their electronic states. Based on our recent measurements of differential cross sections for the electronic states of those molecules, integral cross sections (ICSs) are derived by applying a generalized oscillator strength analysis and then assessed against theory (BE f-scaling [Y.-K. Kim, J. Chem. Phys. 126, 064305 (2007)]). As they now represent benchmark electronic state cross sections, those ICSs for the above molecules are added into the original cross section sets taken from the data reviews for H2, O2, CO2 and H2O (the Itikawa group), and for CO and N2O (the Zecca group).

Growth and survival of uninjured and sublethally heat-injured Escherichia coli O157:H7 on beef extract medium as influenced by package atmosphere and storage temperature.

PubMed

Semanchek, J J; Golden, D A; Williams, R C

1999-03-01

The effect of atmospheric composition and storage temperature on growth and survival of uninjured and sublethally heat-injured Escherichia coli O157:H7, inoculated onto brain heart infusion agar containing 0.3% beef extract (BEM), was determined. BEM plates were packaged in barrier bags in air, 100% CO2, 100% N2, 20% CO2: 80% N2, and vacuum and were stored at 4, 10, and 37 degrees C for up to 20 days. Package atmosphere and inoculum status (i.e., uninjured or heat-injured) influenced (P < 0.01) growth and survival of E. coli O157:H7 stored at all test temperatures. Growth of heat-injured E. coli O157:H7 was slower (P < 0.01) than uninjured E. coli O157:H7 stored at 37 degrees C. At 37 degrees C, uninjured E. coli O157:H7 reached stationary phase growth earlier than heat-injured populations. Uninjured E. coli O157:H7 grew during 10 days of storage at 10 degrees C, while heat-injured populations declined during 20 days of storage at 10 degrees C. Uninjured E. coli O157:H7 stored at 10 degrees C reached stationary phase growth within approximately 10 days in all packaging atmospheres except CO2. Populations of uninjured and heat-injured E. coli O157:H7 declined throughout storage for 20 days at 4 degrees C. Survival of uninjured populations stored at 4 degrees C, as well as heat-injured populations stored at 4 and 10 degrees C, was enhanced in CO2 atmosphere. Survival of heat-injured E. coli O157:H7 at 4 and 10 degrees C was not different (P > 0.05). Uninjured and heat-injured E. coli O157:H7 are able to survive at low temperatures in the modified atmospheres used in this study.

Influence of the Organic Species and Oxoanion in the Synthesis of two Uranyl Sulfate Hydrates, (H 3 O) 2 [(UO 2 ) 2 (SO 4 ) 3 ­(H 2 O)]·7H 2 O and (H 3 O) 2 [(UO 2 ) 2 (SO 4 ) 3 (H 2 O)]·4H 2 O, and a Uranyl Selenate-Selenite [C 5 H 6 N][(UO 2 )(SeO 4 )(HSeO 3 )

DOE Office of Scientific and Technical Information (OSTI.GOV)

Jouffret, Laurent J.; Wylie, Ernest M.; Burns, Peter C.

2012-08-08

Two uranyl sulfate hydrates, (H3O)2[(UO2)2(SO4)3(H2O)]·7H2O (NDUS) and (H3O)2[(UO2)2(SO4)3(H2O)]·4H2O (NDUS1), and one uranyl selenate-selenite [C5H6N][(UO2)(SeO4)(HSeO3)] (NDUSe), were obtained and their crystal structures solved. NDUS and NDUSe result from reactions in highly acidic media in the presence of L-cystine at 373 K. NDUS crystallized in a closed vial at 278 K after 5 days and NDUSe in an open beaker at 278 K after 2 weeks. NDUS1 was synthesized from aqueous solution at room temperature over the course of a month. NDUS, NDUS1, and NDUSe crystallize in the monoclinic space group P21/n, a = 15.0249(4) Å,b = 9.9320(2) Å, c = 15.6518(4)more » Å, β = 112.778(1)°, V = 2153.52(9) Å3,Z = 4, the tetragonal space group P43212, a = 10.6111(2) Å,c = 31.644(1) Å, V = 3563.0(2) Å3, Z = 8, and in the monoclinic space group P21/n, a = 8.993(3) Å, b = 13.399(5) Å, c = 10.640(4) Å,β = 108.230(4)°, V = 1217.7(8) Å3, Z = 4, respectively.The structural units of NDUS and NDUS1 are two-dimensional uranyl sulfate sheets with a U/S ratio of 2/3. The structural unit of NDUSe is a two-dimensional uranyl selenate-selenite sheets with a U/Se ratio of 1/2. In-situ reaction of the L-cystine ligands gives two distinct products for the different acids used here. Where sulfuric acid is used, only H3O+ cations are located in the interlayer space, where they balance the charge of the sheets, whereas where selenic acid is used, interlayer C5H6N+ cations result from the cyclization of the carboxyl groups of L-cystine, balancing the charge of the sheets.« less

Storage capacity of the Fena Valley Reservoir, Guam, Mariana Islands, 2014

USGS Publications Warehouse

Marineau, Mathieu D.; Wright, Scott A.

2015-01-01

Analyses of the bathymetric data indicate that the reservoir currently has 6,915 acre-feet of storage capacity. The engineering drawings of record show that the total reservoir capacity in 1951 was estimated to be 8,365 acre-feet. Thus, between 1951 and 2014, the total storage capacity decreased by 1,450 acre-feet (a loss of 17 percent of the original total storage capacity). The remaining live-storage capacity, or the volume of storage above the lowest-level reservoir outlet elevation, was calculated to be 5,511 acre-feet in 2014, indicating a decrease of 372 acre-feet (or 6 percent) of the original 5,883 acre-feet of live-storage capacity. The remaining dead-storage capacity, or volume of storage below the lowest-level outlet, was 1,404 acre-feet in 2014, indicating a decrease of 1,078 acre-feet (or 43 percent) of the original 2,482 acre-feet of dead-storage capacity.

Kinetic removal of haloacetonitrile precursors by photo-based advanced oxidation processes (UV/H2O2, UV/O3, and UV/H2O2/O3).

PubMed

Srithep, Sirinthip; Phattarapattamawong, Songkeart

2017-06-01

The objective of the study is to evaluate the performance of conventional treatment process (i.e., coagulation, flocculation, sedimentation and sand filtration) on the removals of haloacetonitrile (HAN) precursors. In addition, the removals of HAN precursors by photo-based advanced oxidation processes (Photo-AOPs) (i.e., UV/H 2 O 2 , UV/O 3 , and UV/H 2 O 2 /O 3 ) are investigated. The conventional treatment process was ineffective to remove HAN precursors. Among Photo-AOPs, the UV/H 2 O 2 /O 3 was the most effective process for removing HAN precursors, followed by UV/H 2 O 2 , and UV/O 3 , respectively. For 20min contact time, the UV/H 2 O 2 /O 3 , UV/H 2 O 2 , and UV/O 3 suppressed the HAN formations by 54, 42, and 27% reduction. Increasing ozone doses from 1 to 5 mgL -1 in UV/O 3 systems slightly improved the removals of HAN precursors. Changes in pH (6-8) were unaffected most of processes (i.e., UV, UV/H 2 O 2 , and UV/H 2 O 2 /O 3 ), except for the UV/O 3 system that its efficiency was low in the weak acid condition. The pseudo first-order kinetic constant for removals of dichloroacetonitrile precursors (k' DCANFP ) by the UV/H 2 O 2 /O 3 , UV/H 2 O 2 and standalone UV systems were 1.4-2.8 orders magnitude higher than the UV/O 3 process. The kinetic degradation of dissolved organic nitrogen (DON) tended to be higher than the k' DCANFP value. This study firstly differentiates the kinetic degradation between DON and HAN precursors. Copyright © 2017 Elsevier Ltd. All rights reserved.

Effect of TiO2, ZrO2, and TiO2-ZrO2 on the performance of CuO-ZnO catalyst for CO2 hydrogenation to methanol

NASA Astrophysics Data System (ADS)

Xiao, Jie; Mao, Dongsen; Guo, Xiaoming; Yu, Jun

2015-05-01

The influence of TiO2, ZrO2, and TiO2-ZrO2 mixed oxide on the catalytic performance of CuO-ZnO catalyst in the methanol synthesis from CO2 hydrogenation was studied. The catalysts were prepared by oxalate co-precipitation method and characterized by TGA, N2 adsorption, XRD, reactive N2O adsorption, XPS, H2-TPR, H2-TPD, and CO2-TPD techniques. Characterization results reveal that all the additives improve the CuO dispersion in the catalyst body and increase the Cu surface area and adsorption capacities of CO2 and H2. The results of catalytic test reveal that the additives increase both the CO2 conversion and methanol selectivity, and TiO2-ZrO2 mixed oxide is more effective than single components of TiO2 or ZrO2. Moreover, the activity of methanol synthesis is correlated directly with CO2 adsorption capacity over the catalysts.

Rhus verniciflua Stokes Extract and Its Flavonoids Protect PC-12 Cells against H2O2-Induced Cytotoxicity.

PubMed

Nam, Tae Gyu; Lee, Bong Han; Choi, Hyo-Kyoung; Mansur, Ahmad Rois; Lee, Sang Gil; Kim, Dae-Ok

2017-06-28

Rhus verniciflua Stokes (RVS), an herbal medicine found in East Asia, was extracted and further fractionated to investigate its antioxidant capacity and neuroprotective effects. The RVS ethyl acetate (EtOAc) fraction had the highest level of total phenolics and antioxidant capacity among all solvent fractions tested. Pretreatment of PC-12 cells with the EtOAc fraction effectively attenuated H 2 O 2 -induced oxidative damage. Furthermore, the EtOAc fraction significantly attenuated caspase-3 activity, resulting in inhibition of H 2 O 2 -induced apoptosis. We identified and quantified fustin, sulfuretin, and butein in the EtOAc fraction using accurate mass quadrupole time-of-flight mass spectrometry and reversed-phase high-performance liquid chromatography. The intracellular antioxidant capacity and superoxide dismutase (SOD) activity were significantly increased in PC-12 cells treated with the EtOAc fraction and with individual flavonoids. When cells were pretreated with the EtOAc fraction or individual flavonoids and then co-incubated with diethyldithiocarbamic acid (an inhibitor of SOD activity), cell viability against H 2 O 2 -induced oxidative stress was attenuated. These results suggest that the RVS EtOAc fraction and its flavonoid constituents protect PC-12 cells against H 2 O 2 -induced neurotoxicity through their antioxidant properties.

Hydrogen storage of Mg1-xMxH2 (M = Ti, V, Fe) studied using first-principles calculations

NASA Astrophysics Data System (ADS)

Bhihi, M.; Lakhal, M.; Labrim, H.; Benyoussef, A.; A. El, Kenz; Mounkachi, O.; K. Hlil, E.

2012-09-01

In this work, the hydrogen storage properties of the Mg-based hydrides, i.e., Mg1-x Mx H2 (M = Ti, V, Fe, 0 <= x <= 0.1), are studied using the Korringa—Kohn—Rostoker (KKR) calculation with the coherent potential approximation (CPA). In particular, the nature and concentrations of the alloying elements and their effects are studied. Moreover, the material's stability and hydrogen storage thermodynamic properties are discussed. In particular, we find that the stability and the temperature of desorption decrease without significantly affecting the storage capacities.

Self-Reconstructed Formation of a One-Dimensional Hierarchical Porous Nanostructure Assembled by Ultrathin TiO2 Nanobelts for Fast and Stable Lithium Storage.

PubMed

Liu, Yuan; Yan, Xiaodong; Xu, Bingqing; Lan, Jinle; Yu, Yunhua; Yang, Xiaoping; Lin, Yuanhua; Nan, Cewen

2018-06-06

Owing to their unique structural advantages, TiO 2 hierarchical nanostructures assembled by low-dimensional (LD) building blocks have been extensively used in the energy-storage/-conversion field. However, it is still a big challenge to produce such advanced structures by current synthetic techniques because of the harsh conditions needed to generate primary LD subunits. Herein, a novel one-dimensional (1D) TiO 2 hierarchical porous fibrous nanostructure constructed by TiO 2 nanobelts is synthesized by combining a room-temperature aqueous solution growth mechanism with the electrospinning technology. The nanobelt-constructed 1D hierarchical nanoarchitecture is evolves directly from the amorphous TiO 2 /SiO 2 composite fibers in alkaline solutions at ambient conditions without any catalyst and other reactant. Benefiting from the unique structural features such as 1D nanoscale building blocks, large surface area, and numerous interconnected pores, as well as mixed phase anatase-TiO 2 (B), the optimum 1D TiO 2 hierarchical porous nanostructure shows a remarkable high-rate performance when tested as an anode material for lithium-ion batteries (107 mA h g -1 at ∼10 A g -1 ) and can be used in a hybrid lithium-ion supercapacitor with very stable lithium-storage performance (a capacity retention of ∼80% after 3000 cycles at 2 A g -1 ). The current work presents a scalable and cost-effective method for the synthesis of advanced TiO 2 hierarchical materials for high-power and stable energy-storage/-conversion devices.

High-temperature heat capacity of CdO-V2O5 oxides

NASA Astrophysics Data System (ADS)

Denisova, L. T.; Chumilina, L. G.; Belousova, N. V.; Denisov, V. M.; Galiakhmetova, N. A.

2017-12-01

Vanadates Cd2V2O7 and CdV2O6 have been prepared from CdO i V2O5 by three-phase synthesis with subsequent burning at 823-1073 K and 823-853 K, respectively. The molar heat capacity of these oxide compounds has been measured by differential scanning calorimetry. The enthalpy change, the entropy change, and the reduced Gibbs energy are calculated using the experimental dependences C p = f( T). It is shown that there is a correlation between the specific heat capacity and the composition of CdO-V2O5 oxide system.

Investigating the effect of graphene nanoplatelets on the thermal conductivity of KAl(SO4)2 · 12H2O

NASA Astrophysics Data System (ADS)

Sun, Mingjie; Liu, Liqiang; Ma, Fukun; Jing, Min; Cui, Kaixuan; Lin, Liangkan

2018-04-01

This article, taking phase change material (PCM) aluminum potassium sulfate dodecahydrate (KAl(SO4)2 · 12H2O) as the object of study, researches the effects of graphene nanoplatelets (GN) on the thermal conductivity of KAl(SO4)2 · 12H2O. Correlated analysis shows that KAl(SO4)2 · 12H2O can be combined with GN to form KAl(SO4)2 · 12H2O/GN composites. The thermal conductivity of KAl(SO4)2 · 12H2O/GN composites improves significantly with the increase of GN contents. When the content of GN up to 2.5 wt%, the thermal conductivity of the composites is 1.311 W/m · k, increasing by 120% compared with the pure KAl(SO4)2 · 12H2O, the thermal storage time reduces by 31.9%. Meanwhile, GN can improve the undercooling of KAl(SO4)2 · 12H2O. When the content of GN is 2.5 wt%, the minimum undercooling is 31.1 °C, reducing by 28.5% compared with the pure KAl(SO4)2 · 12H2O. X-ray diffractometry (XRD) analysis shows that the crystal structure of KAl(SO4)2 · 12H2O is basically unchanged with the composite of GN after circulation. In general, GN have a great effect on improving the thermal conductivity of KAl(SO4)2 · 12H2O and have a good application prospect in the field of phase change thermal storage.

Vibrational energy transfer and relaxation in O2 and H2O.

PubMed

Huestis, David L

2006-06-01

Near-resonant vibrational energy exchange between oxygen and water molecules is an important process in the Earth's atmosphere, combustion chemistry, and the chemical oxygen iodine laser (COIL). The reactions in question are (1) O2(1) + O2(0) --> O2(0) + O2(0); (2) O2(1) + H2O(000) --> O2(0) + H2O(000); (3) O2(1) + H2O(000) <--> O2(0) + H2O(010); (4) H2O(010) + H2O(000) --> H2O(000) + H2O(000); and (5) H2O(010) + O2(0) --> H2O(000) + O2(0). Reanalysis of the data available in the chemical kinetics literature provides reliable values for rate coefficients for reactions 1 and 4 and strong evidence that reactions 2 and 5 are slow in comparison with reaction 3. Analytical solution of the chemical rate equations shows that previous attempts to measure the rate of reaction 3 are unreliable unless the water mole fraction is higher than 1%. Reanalysis of data from the only experiment satisfying this constraint provides a rate coefficient of (5.5 +/- 0.4) x 10(-13) cm3/s at room temperature, between the values favored by the atmospheric and laser modeling communities.

Age-related differences in cigarette smoke extract-induced H2O2 production by lung endothelial cells.

PubMed

Downs, Charles A; Montgomery, David W; Merkle, Carrie J

2011-11-01

Cigarette smoke causes oxidative stress in the lung resulting in injury and disease. The purpose of this study was to determine if there were age-related differences in cigarette smoke extract (CSE)-induced production of reactive species in single and co-cultures of alveolar epithelial type I (AT I) cells and microvascular endothelial cells harvested from the lungs (MVECLs) of neonatal, young and old male Fischer 344 rats. Cultures of AT I cells and MVECLs grown separately (single culture) and together (co-culture) were exposed to CSE (1, 10, 50, 100%). Cultures were assayed for the production of intracellular reactive oxygen species (ROS), hydroxyl radical (OH), peroxynitrite (ONOO(-)), nitric oxide (NO) and extracellular hydrogen peroxide (H(2)O(2)). Single and co-cultures of AT I cells and MVECLs from all three ages produced minimal intracellular ROS in response to CSE. All ages of MVECLs produced H(2)O(2) in response to CSE, but young MVECLs produced significantly less H(2)O(2) compared to neonatal and old MVECLs. Interestingly, when grown as a co-culture with age-matched AT I cells, neonatal and old MVECLs demonstrated ~50% reduction in H(2)O(2) production in response to CSE. However, H(2)O(2) production in young MVECLs grown as a co-culture with young AT I cells did not change with CSE exposure. To begin investigating for a potential mechanism to explain the reduction in H(2)O(2) production in the co-cultures, we evaluated single and co-cultures for extracellular total antioxidant capacity. We also performed gene expression profiling specific to oxidant and anti-oxidant pathways. The total antioxidant capacity of the AT I cell supernatant was ~5 times greater than that of the MVECLs, and when grown as a co-culture and exposed to CSE (≥ 10%), the total antioxidant capacity of the supernatant was reduced by ~50%. There were no age-related differences in total antioxidant capacity of the cell supernatants. Gene expression profiling found eight genes to be

Estimation of Carbon Dioxide Storage Capacity for Depleted Gas Reservoirs

NASA Astrophysics Data System (ADS)

Lai, Yen Ting; Shen, Chien-Hao; Tseng, Chi-Chung; Fan, Chen-Hui; Hsieh, Bieng-Zih

2015-04-01

A depleted gas reservoir is one of the best options for CO2 storage for many reasons. First of all, the storage safety or the caprock integrity has been proven because the natural gas was trapped in the formation for a very long period of time. Also the formation properties and fluid flow characteristics for the reservoir have been well studied since the discovery of the gas reservoir. Finally the surface constructions and facilities are very useful and relatively easy to convert for the use of CO2 storage. The purpose of this study was to apply an analytical approach to estimate CO2 storage capacity in a depleted gas reservoir. The analytical method we used is the material balance equation (MBE), which have been widely used in natural gas storage. We proposed a modified MBE for CO2 storage in a depleted gas reservoir by introducing the z-factors of gas, CO2 and the mixture of the two. The MBE can be derived to a linear relationship between the ratio of pressure to gas z-factor (p/z) and the cumulative term (Gp-Ginj, where Gp is the cumulative gas production and Ginj is the cumulative CO2 injection). The CO2 storage capacity can be calculated when constraints of reservoir recovery pressure are adopted. The numerical simulation was also used for the validation of the theoretical estimation of CO2 storage capacity from the MBE. We found that the quantity of CO2 stored is more than that of gas produced when the reservoir pressure is recovered from the abandon pressure to the initial pressure. This result was basically from the fact that the gas- CO2 mixture z-factors are lower than the natural gas z-factors in reservoir conditions. We also established a useful p/z plot to easily observe the pressure behavior of CO2 storage and efficiently calculate the CO2 storage capacity. The application of the MBE we proposed was demonstrated by a case study of a depleted gas reservoir in northwestern Taiwan. The estimated CO2 storage capacities from conducting reservoir simulation

Crystal structures of Sr(ClO4)2·3H2O, Sr(ClO4)2·4H2O and Sr(ClO4)2·9H2O

PubMed Central

Hennings, Erik; Schmidt, Horst; Voigt, Wolfgang

2014-01-01

The title compounds, strontium perchlorate trihydrate {di-μ-aqua-aquadi-μ-perchlorato-strontium, [Sr(ClO4)2(H2O)3]n}, strontium perchlorate tetra­hydrate {di-μ-aqua-bis­(tri­aqua­diperchloratostrontium), [Sr2(ClO4)4(H2O)8]} and strontium perchlorate nona­hydrate {hepta­aqua­diperchloratostrontium dihydrate, [Sr(ClO4)2(H2O)7]·2H2O}, were crystallized at low temperatures according to the solid–liquid phase diagram. The structures of the tri- and tetra­hydrate consist of Sr2+ cations coordinated by five water mol­ecules and four O atoms of four perchlorate tetra­hedra in a distorted tricapped trigonal–prismatic coordination mode. The asymmetric unit of the trihydrate contains two formula units. Two [SrO9] polyhedra in the trihydrate are connected by sharing water mol­ecules and thus forming chains parallel to [100]. In the tetra­hydrate, dimers of two [SrO9] polyhedra connected by two sharing water mol­ecules are formed. The structure of the nona­hydrate contains one Sr2+ cation coordinated by seven water mol­ecules and by two O atoms of two perchlorate tetra­hedra (point group symmetry ..m), forming a tricapped trigonal prism (point group symmetry m2m). The structure contains additional non-coordinating water mol­ecules, which are located on twofold rotation axes. O—H⋯O hydrogen bonds between the water mol­ecules as donor and ClO4 tetra­hedra and water mol­ecules as acceptor groups lead to the formation of a three-dimensional network in each of the three structures. PMID:25552979

Concentration, behavior and storage of H/sub 2/O in the suboceanic upper mantle: implications for mantle metasomatism

DOE Office of Scientific and Technical Information (OSTI.GOV)

Michael, P.J.

1988-02-01

Mid-ocean ridge basalt glasses from the Pacific-Nazca Ridge and the northern Juan de Fuca Ridge were analyzed for H/sub 2/O by gas chromatography. Incompatible element enriched (IEE) glasses have higher H/sub 2/O contents than depleted (IED) glasses. H/sub 2/O increases systematically with decreasing Mg/Mg + Fe/sup 2 +/ within each group. Near-primary IED MORBs have an average of about 800 ppm H/sub 2/O, while near-primary IEE MORBs (with chondrite normalized Nb/Zr or La/Sm approx. 2) have about 2100 ppm H/sub 2/O. If these basalts formed by 10-20% partial melting then the IED mantle source had 100-180 ppm H/sub 2/O, whilemore » the IEE source had 250-450 ppm H/sub 2/O. The ratio H/sub 2/O/(Ce + Nd) is fairly constant at 95 +/- 30 for all oceanic basalts from the Pacific. During trace element fractionation in the suboceanic upper mantle, H/sub 2/O behaves more compatibly than K, Rb, Nb, and Cl, but less compatibly than Sm, Zr and Ti. H/sub 2/O is contained mostly in amphibole in the shallow upper mantle. At pressures greater than the amphibole stability limit, it is likely that a significant proportion of H/sub 2/O is contained in a mantle phase which is more refractory than phlogopite at these pressures. The role of H/sub 2/O in mantle enrichment processes is examined by assuming that an enriched component was added. The modeled concentrations of K, Na, Ti and incompatible trace elements in this component are high relative to H/sub 2/O, indicating that suboceanic mantle enrichment is caused by silicate melts such as basanites and not by aqueous fluids.« less

Clusters of α-LiFeO2 nanoparticles incorporated into multi-walled carbon nanotubes: a lithium-ion battery cathode with enhanced lithium storage properties.

PubMed

Rahman, Md Mokhlesur; Glushenkov, Alexey M; Chen, Zhiqiang; Dai, Xiujuan J; Ramireddy, Thrinathreddy; Chen, Ying

2013-12-14

We report the preparation of a novel nanocomposite architecture of α-LiFeO2-MWCNT based on clusters of α-LiFeO2 nanoparticles incorporated into multiwalled carbon nanotubes (MWCNTs). The composite represents a promising cathode material for lithium-ion batteries. The preparation of the nanocomposite is achieved by combining a molten salt precipitation process and a radio frequency oxygen plasma for the first time. We demonstrate that clusters of α-LiFeO2 nanoparticles incorporated into MWCNTs are capable of delivering a stable and high reversible capacity of 147 mA h g(-1) at 1 C after 100 cycles with the first cycle Coulombic efficiency of ~95%. The rate capability of the composite is significantly improved and its reversible capacity is measured to be 101 mA h g(-1) at a high current rate of 10 C. Both rate capability and cycling stability are not simply a result of introduction of functionalized MWCNTs but most likely originate from the unique composite structure of clusters of α-LiFeO2 nanoparticles integrated into a network of MWCNTs. The excellent electrochemical performance of this new nanocomposite opens up new opportunities in the development of high-performance electrode materials for energy storage application using the radio frequency oxygen plasma technique.

Studies of CW lasing action in CO2-CO, N2O-CO, CO2-H2O, and N2O-H2O mixtures pumped by blackbody radiation

NASA Technical Reports Server (NTRS)

Abel, Robert W.; Christiansen, Walter H.; Li, Jian-Guo

1988-01-01

A proof of principle experiment to evaluate the efficacy of CO and H2O in increasing the power output for N2O and CO2 lasing mixtures has been conducted and theoretically analyzed for a blackbody radiation-pumped laser. The results for N2O-CO, CO2-CO, N2O-H2O and CO2-H2O mixtures are presented. Additions of CO to the N2O lasant increased power up to 28 percent for N2O laser mixtures, whereas additions of CO to the CO2 lasant, and the addition of H2O to both the CO2 and N2O lasants, resulted in decreased output power.

A first-principles study of hydrogen storage capacity based on Li-Na-decorated silicene.

PubMed

Sheng, Zhe; Wu, Shujing; Dai, Xianying; Zhao, Tianlong; Hao, Yue

2018-05-23

Surface decoration with alkali metal adatoms has been predicted to be promising for silicene to obtain high hydrogen storage capacity. Herein, we performed a detailed study of the hydrogen storage properties of Li and Na co-decorated silicene (Li-Na-decorated silicene) based on first-principles calculations using van der Waals correction. The hydrogen adsorption behaviors, including the adsorption order, the maximum capacity, and the corresponding mechanism were analyzed in detail. Our calculations show that up to three hydrogen molecules can firmly bind to each Li atom and six for each Na atom, respectively. The hydrogen storage capacity is estimated to be as high as 6.65 wt% with a desirable average adsorption energy of 0.29 eV/H2. It is confirmed that both the charge-induced electrostatic interaction and the orbital hybridizations play a great role in hydrogen storage. Our results may enhance our fundamental understanding of the hydrogen storage mechanism, which is of great importance for the practical application of Li-Na-decorated silicene in hydrogen storage.

Topological analysis of void space in phosphate frameworks: Assessing storage properties for the environmentally important guest molecules and ions: CO 2, H 2O, UO 2, PuO 2, U, Pu, Sr 2+, Cs +, CH 4, and H 2

DOE PAGES

Cramer, Alisha J.; Cole, Jacqueline M.

2016-06-27

The entrapment of environmentally important materials to enable containment of polluting wastes from industry or energy production, storage of alternative fuels, or water sanitation, is of vital and immediate importance. Many of these materials are small molecules or ions that can be encapsulated via their adsorption into framework structures to create a host-guest complex. This is an ever-growing field of study and, as such, the search for more suitable porous materials for environmental applications is fundamental to progress. However, many industrial areas that require the use of adsorbents are fraught with practical challenges such as high temperatures, rapid gas expansion,more » radioactivity, or repetitive gas cycling, that the host material must withstand. Inorganic phosphates have a proven history of rigid structures, thermal stability, and are suspected to possess good resistance to radiation over geologic time scales. Furthermore, various experimental studies have established their ability to adsorb small molecules, such as water. In light of this, all known crystal structures of phosphate frameworks with meta- (P 3O 9) or ultra- (P 5O 14) stoichiometries are combined in a data-mining survey together with all theoretically possible structures of Ln aP bO c (where a, b, c are any integer, and Ln = La, Ce, Pr, Nd, Sm, Eu, Gd, Tb, Dy, Ho, Er, or Tm) that are statistically likely to form. Topological patterns within these framework structures are used to assess their suitability for hosting a variety of small guest molecules or ions that are important for environmental applications: CO 2, H 2O, UO 2, PuO 2, U, Pu, Sr 2+, Cs +, CH 4 and H 2. A range of viable phosphate-based host-guest complexes are identified from this data-mining and pattern-based structural analysis. Moreover, distinct topological preferences for hosting such guests are found, and metaphosphate stoichiometries are generally preferred over ultraphosphate configurations.« less

Working and Net Available Shell Storage Capacity

EIA Publications

2017-01-01

Working and Net Available Shell Storage Capacity is the U.S. Energy Information Administration’s (EIA) report containing storage capacity data for crude oil, petroleum products, and selected biofuels. The report includes tables detailing working and net available shell storage capacity by type of facility, product, and Petroleum Administration for Defense District (PAD District). Net available shell storage capacity is broken down further to show the percent for exclusive use by facility operators and the percent leased to others. Crude oil storage capacity data are also provided for Cushing, Oklahoma, an important crude oil market center. Data are released twice each year near the end of May (data for March 31) and near the end of November (data for September 30).

Mineral storage of CO2/H2S gas mixture injection in basaltic rocks

NASA Astrophysics Data System (ADS)

Clark, D. E.; Gunnarsson, I.; Aradottir, E. S.; Oelkers, E. H.; Sigfússon, B.; Snæbjörnsdottír, S. Ó.; Matter, J. M.; Stute, M.; Júlíusson, B. M.; Gíslason, S. R.

2017-12-01

Carbon capture and storage is one solution to reducing CO2 emissions in the atmosphere. The long-term geological storage of buoyant supercritical CO2 requires high integrity cap rock. Some of the risk associated with CO2 buoyancy can be overcome by dissolving CO2 into water during its injection, thus eliminating its buoyancy. This enables injection into fractured rocks, such as basaltic rocks along oceanic ridges and on continents. Basaltic rocks are rich in divalent cations, Ca2+, Mg2+ and Fe2+, which react with CO2 dissolved in water to form stable carbonate minerals. This possibility has been successfully tested as a part of the CarbFix CO2storage pilot project at the Hellisheiði geothermal power plant in Iceland, where they have shown mineralization occurs in less than two years [1, 2]. Reykjavik Energy and the CarbFix group has been injecting a mixture of CO2 and H2S at 750 m depth and 240-250°C since June 2014; by 1 January 2016, 6290 tons of CO2 and 3530 tons of H2S had been injected. Once in the geothermal reservoir, the heat exchange and sufficient dissolution of the host rock neutralizes the gas-charged water and saturates the formation water respecting carbonate and sulfur minerals. A thermally stable inert tracer was also mixed into the stream to monitor the subsurface transport and to assess the degree of subsurface carbonation and sulfide precipitation [3]. Water and gas samples have been continuously collected from three monitoring wells and geochemically analyzed. Based on the results, mineral saturation stages have been defined. These results and tracer mass balance calculations are used to evaluate the rate and magnitude of CO2 and H2S mineralization in the subsurface, with indications that mineralization of carbon and sulfur occurs within months. [1] Gunnsarsson, I., et al. (2017). Rapid and cost-effective capture and subsurface mineral storage of carbon and sulfur. Manuscript submitted for publication. [2] Matter, J., et al. (2016). Rapid

Crystal structures of ZnCl2·2.5H2O, ZnCl2·3H2O and ZnCl2·4.5H2O

PubMed Central

Hennings, Erik; Schmidt, Horst; Voigt, Wolfgang

2014-01-01

The formation of different complexes in aqueous solutions is an important step in understanding the behavior of zinc chloride in water. The structure of concentrated ZnCl2 solutions is governed by coordination competition of Cl− and H2O around Zn2+. According to the solid–liquid phase diagram, the title compounds were crystallized below room temperature. The structure of ZnCl2·2.5H2O contains Zn2+ both in a tetra­hedral coordination with Cl− and in an octa­hedral environment defined by five water mol­ecules and one Cl− shared with the [ZnCl4]2− unit. Thus, these two different types of Zn2+ cations form isolated units with composition [Zn2Cl4(H2O)5] (penta­aqua-μ-chlorido-tri­chlorido­di­zinc). The trihydrate {hexa­aqua­zinc tetra­chlorido­zinc, [Zn(H2O)6][ZnCl4]}, consists of three different Zn2+ cations, one of which is tetra­hedrally coordinated by four Cl− anions. The two other Zn2+ cations are each located on an inversion centre and are octa­hedrally surrounded by water mol­ecules. The [ZnCl4] tetra­hedra and [Zn(H2O)6] octa­hedra are arranged in alternating rows parallel to [001]. The structure of the 4.5-hydrate {hexa­aqua­zinc tetra­chlorido­zinc trihydrate, [Zn(H2O)6][ZnCl4]·3H2O}, consists of isolated octa­hedral [Zn(H2O)6] and tetra­hedral [ZnCl4] units, as well as additional lattice water mol­ecules. O—H⋯O hydrogen bonds between the water mol­ecules as donor and ZnCl4 tetra­hedra and water mol­ecules as acceptor groups leads to the formation of a three-dimensional network in each of the three structures. PMID:25552980

Thermal oxidation synthesis hollow MoO{sub 3} microspheres and their applications in lithium storage and gas-sensing

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhao, Xinyu; School of Petrochemical Engineering, Shenyang University of Technology, Liaoyang 111003; Cao, Minhua, E-mail: caomh@bit.edu.cn

2013-06-01

Graphical abstract: MoO{sub 3} hollow microspheres were synthesized via a facile and template-free solvothermal route and subsequent heat treatment in air. The MoO{sub 3} hollow microspheres exhibit an improved lithium storage and gas-sensing performance. Highlights: ► Hollow MoO{sub 3} microspheres were synthesized by thermal oxidation of hollow MoO{sub 2}. ► The MoO{sub 3} hollow microspheres have a relatively high specific surface area. ► The MoO{sub 3} hollow microspheres exhibit improved lithium storage performance. ► The MoO{sub 3} hollow microspheres show good responses to ammonia gas. - Abstract: In this paper, MoO{sub 3} hollow microspheres were synthesized via a facile andmore » template-free solvothermal route and subsequent heat treatment in air. The MoO{sub 3} hollow microspheres have a relatively high specific surface area, and with such a feature, the as-synthesized MoO{sub 3} hollow microspheres have potential applications in Li-ion battery and gas-sensor. When tested as a Li-storage anode material, the MoO{sub 3} hollow microspheres show a higher discharge capacity of 1377.1 mA h g{sup −1} in the first discharge and a high reversible capacity of 780 mA h g{sup −1} after 100 cycles at a rate of 1 C. Furthermore, as a gas sensing material, the MoO{sub 3} hollow microspheres exhibit an improved sensitivity and short response/recovery time to trace levels of ammonia gas.« less

Assessment of Factors Influencing Effective CO 2 Storage Capacity and Injectivity in Eastern Gas Shales

DOE Office of Scientific and Technical Information (OSTI.GOV)

Godec, Michael

Building upon advances in technology, production of natural gas from organic-rich shales is rapidly developing as a major hydrocarbon supply option in North America and around the world. The same technology advances that have facilitated this revolution - dense well spacing, horizontal drilling, and hydraulic fracturing - may help to facilitate enhanced gas recovery (EGR) and carbon dioxide (CO 2) storage in these formations. The potential storage of CO 2 in shales is attracting increasing interest, especially in Appalachian Basin states that have extensive shale deposits, but limited CO 2 storage capacity in conventional reservoirs. The goal of this cooperativemore » research project was to build upon previous and on-going work to assess key factors that could influence effective EGR, CO 2 storage capacity, and injectivity in selected Eastern gas shales, including the Devonian Marcellus Shale, the Devonian Ohio Shale, the Ordovician Utica and Point Pleasant shale and equivalent formations, and the late Devonian-age Antrim Shale. The project had the following objectives: (1) Analyze and synthesize geologic information and reservoir data through collaboration with selected State geological surveys, universities, and oil and gas operators; (2) improve reservoir models to perform reservoir simulations to better understand the shale characteristics that impact EGR, storage capacity and CO 2 injectivity in the targeted shales; (3) Analyze results of a targeted, highly monitored, small-scale CO 2 injection test and incorporate into ongoing characterization and simulation work; (4) Test and model a smart particle early warning concept that can potentially be used to inject water with uniquely labeled particles before the start of CO 2 injection; (5) Identify and evaluate potential constraints to economic CO 2 storage in gas shales, and propose development approaches that overcome these constraints; and (6) Complete new basin-level characterizations for the CO 2 storage

The storage capacity of fluorine in olivine and pyroxene under upper mantle conditions

NASA Astrophysics Data System (ADS)

Grützner, Tobias; Kohn, Simon C.; Bromiley, David W.; Rohrbach, Arno; Berndt, Jasper; Klemme, Stephan

2017-07-01

We present new experimental results on the fluorine storage capacity of olivine and orthopyroxene in the Earth's mantle. Experiments were performed in the system MgO-SiO2 + MgF2 at temperatures between 1350 °C and 1700 °C and pressures up to 17 GPa. Electron microprobe measurements show that fluorine concentrations in olivine reach up to 5100 μg/g. The storage capacity of fluorine in olivine shows only a small pressure dependence but a strong temperature dependence with a positive correlation between increasing temperature and fluorine storage capacity. Fluorine concentrations found in enstatite are one order of magnitude smaller and reach up to 670 μg/g. Our data show that concentrations of fluorine in fluorine-saturated olivine are in the same range as water concentrations in olivine. Nevertheless, fluorine and water solubility in olivine show opposing behavior with increasing pressure and temperature. The fluorine solubility in olivine increases with increasing temperature but is not much affected by pressure. In contrast, water solubility in olivine has previously been shown to decrease with increasing temperature and increase with increasing pressure. Our experiments show that nominally fluorine-free minerals like forsterite and enstatite are capable of storing the entire fluorine budget of the upper mantle, without the need to invoke accessory phases such as apatite or amphibole.

Crystal and molecular structure of Sr{sub 2}(Edta) . 5H{sub 2}O, Sr{sub 2}(H{sub 2}Edta)(HCO{sub 3}){sub 2} . 4H{sub 2}O, and Sr{sub 2}(H{sub 2}Edta)Cl{sub 2} . 5H{sub 2}O strontium ethylenediaminetetraacetates

DOE Office of Scientific and Technical Information (OSTI.GOV)

Polyakova, I. N., E-mail: polyakova@igic.ras.ru; Poznyak, A. L.; Sergienko, V. S.

2009-03-15

Three Sr{sup 2+} compounds with the Edta{sup 4-} and H{sub 2}Edta{sup 2-} ligands-Sr{sub 2}(Edta) . 5H{sub 2}O (I), Sr{sub 2}(H{sub 2}Edta)(HCO{sub 3}){sub 2} . 4H{sub 2}O (II), and Sr{sub 2}(H{sub 2}Edta)Cl{sub 2} . 5H{sub 2}O (III)-are synthesized, and their crystal structures are studied. In I, the Sr(1) atom is coordinated by the hexadentate Edta{sup 4-} ligand following the 2N + 4O pattern and by two O atoms of the neighboring ligands, which affords the formation of zigzag chains. The Sr(2) atom forms bonds with O atoms of five water molecules and attaches itself to a chain via bonds with threemore » O atoms of the Edta{sup 4-} ligands. The Sr(1)-O and Sr(2)-O bond lengths fall in the ranges 2.520(2)-2.656(3) and 2.527(3)-2.683(2) A, respectively. The Sr(1)-N bonds are 2.702(3) and 2.743(3) A long. In II and III, the H{sub 2}Edta{sup 2-} anions have a centrosymmetric structure with the trans configuration of the planar ethylenediamine fragment. The N atoms are blocked by acid protons. In II, the environment of the Sr atom is formed by six O atoms of three H{sub 2}Edta ligands, two O atoms of water molecules, and an O atom of the bicarbonate ion, which is disordered over two positions. In III, the environment of the Sr atom includes six O atoms of four H{sub 2}Edta{sup 2-} ligands and three O atoms of water molecules. The coordination number of the Sr atoms is equal to 8 + 1. In II and III, the main bonds fall in the ranges 2.534(3)-2.732(2) and 2.482(2)-2.746(3) A, whereas the ninth bond is elongated to 2.937(3) and 3.055(3) A, respectively. In II, all the structural elements are linked into wavy layers. The O-H-O interactions contribute to the stabilization of the layer and link neighboring layers. In III, hydrated Sr{sup 2+} cations and H{sub 2}Edta{sup -} anions form a three-dimensional [Sr{sub 2}(H{sub 2}Edta)(H{sub 2}O){sub 3}]{sub n}{sup 2n+} framework. The Cl{sup -} anions are fixed in channels of the framework by hydrogen bonds with four water

Facile synthesis of morphology-controlled Co3O4 nanostructures through solvothermal method with enhanced catalytic activity for H2O2 electroreduction

NASA Astrophysics Data System (ADS)

Cheng, Kui; Cao, Dianxue; Yang, Fan; Xu, Yang; Sun, Gaohui; Ye, Ke; Yin, Jinling; Wang, Guiling

2014-05-01

Hydrogen peroxide (H2O2) replaced oxygen (O2) as oxidant has been widely investigated due to its faster reduction kinetics, easier storage and handling than gaseous oxygen. The main challenge of using H2O2 as oxidant is the chemical decomposition. In this article, by using different C2H5OH/H2O volume ratio as the solvent, Co3O4 with different morphologies (nanosheet, nanowire, ultrafine nanowire net, nanobelts, and honeycomb-like) direct growth on Ni foam are synthesized via a simple solvothermal method for the first time. Results show that the introduction of ethanol could obviously improve the catalytic performance toward H2O2 electroreduction. The sample prepared in the solution with the C2H5OH/H2O volume ratio of 1:2 shows the best catalytic performance among the five samples and a current density of 0.214 A cm-2 is observed in 3.0 mol L-1 KOH + 0.5 mol L-1 H2O2 at -0.4 V (vs. Ag/AgCl KCl), which is much larger than that on the other metal oxides reported previously, almost comparable with the precious metals. This electrode of Co3O4 directly grown on Ni foam has superior mass transport property, which combining with its low-cost and facile preparation, make it a promising electrode for fuel cell using H2O2 as the oxidant.

Thermal conductivity of (Np0.20Pu0.50Am0.25Cm0.05)O2-x solid solutions

NASA Astrophysics Data System (ADS)

Nishi, Tsuyoshi; Takano, Masahide; Akabori, Mitsuo; Arai, Yasuo

2013-09-01

The authors prepared the sintered sample of (Np0.20Pu0.50Am0.25Cm0.05)O2-x (2 - x = 1.98, 1.96) solid solution and evaluated the dependence of the thermal conductivity on storage time and temperature. The heat capacity of (Np0.20Pu0.50Am0.25Cm0.05)O1.98 was measured between 324 and 1082 K by a drop calorimetry. The thermal diffusivity of (Np0.20Pu0.50Am0.25Cm0.05)O1.98 was measured when the storage time became 48, 216, 720 and 1584 h and that of (Np0.20Pu0.50Am0.25Cm0.05)O1.96 was measured when the storage time became 0,528 and 1386 h. In this study, the latter sample was annealed at 1423 K in vacuum with background pressure of less than 2.0 × 10-4 Pa just after the measurement on the storage time, 1386 h. The thermal diffusivity of (Np0.20Pu0.50Am0.25Cm0.05)O1.96 just after annealing returned to the values of the storage time, 0 h. This result reveals the thermal recovery behavior by annealing. The thermal conductivity of (Np0.20Pu0.50Am0.25Cm0.05)O2-x was determined from the measured thermal diffusivity, heat capacity and bulk density. The thermal conductivity of (Np0.20Pu0.50Am0.25Cm0.05)O2-x exponentially decreased with increasing storage time. This result suggested that the decrease of the thermal conductivity was attributed to the accumulation of lattice defects caused by self-irradiation. The heat capacity of (Np0.20Pu0.50Am0.25Cm0.05)O1.98 was expressed by Cp (J mol-1 K-1) = 1.7314 × 10-2T + 75.720 - 1.0579 × 106 T-2. The heat capacity at higher than 473 K was almost close to those of stoichiometric actinide dioxide within at least ±5%. The thermal diffusivity of (Np0.20Pu0.50Am0.25Cm0.05)O2-x decreased with increasing storage time in the temperature range from 473 to 573 K. The decrease of the thermal diffusivity was attributed by the lattice defect rapidly accumulated by the α-decay of 244Cm. The thermal diffusivity of (Np0.20Pu0.50Am0.25Cm0.05)O1.96 just after annealing returned to the values of the storage time, 0 h. This result reveals the thermal

Anion- or Cation-Exchange Membranes for NaBH4/H2O2 Fuel Cells?

PubMed

Sljukić, Biljana; Morais, Ana L; Santos, Diogo M F; Sequeira, César A C

2012-07-19

Direct borohydride fuel cells (DBFC), which operate on sodium borohydride (NaBH4) as the fuel, and hydrogen peroxide (H2O2) as the oxidant, are receiving increasing attention. This is due to their promising use as power sources for space and underwater applications, where air is not available and gas storage poses obvious problems. One key factor to improve the performance of DBFCs concerns the type of separator used. Both anion- and cation-exchange membranes may be considered as potential separators for DBFC. In the present paper, the effect of the membrane type on the performance of laboratory NaBH4/H2O2 fuel cells using Pt electrodes is studied at room temperature. Two commercial ion-exchange membranes from Membranes International Inc., an anion-exchange membrane (AMI-7001S) and a cation-exchange membrane (CMI-7000S), are tested as ionic separators for the DBFC. The membranes are compared directly by the observation and analysis of the corresponding DBFC's performance. Cell polarization, power density, stability, and durability tests are used in the membranes' evaluation. Energy densities and specific capacities are estimated. Most tests conducted, clearly indicate a superior performance of the cation-exchange membranes over the anion-exchange membrane. The two membranes are also compared with several other previously tested commercial membranes. For long term cell operation, these membranes seem to outperform the stability of the benchmark Nafion membranes but further studies are still required to improve their instantaneous power load.

Effects of proton irradiation on structural and electrochemical charge storage properties of TiO 2 nanotube electrodes for lithium-ion batteries

DOE PAGES

Smith, Kassiopeia A.; Savva, Andreas I.; Deng, Changjian; ...

2017-03-23

The effects of proton irradiation on nanostructured metal oxides have been investigated. Recent studies suggest that the presence of structural defects (e.g. vacancies and interstitials) in metal oxides may enhance the material's electrochemical charge storage capacity. A new approach to introduce defects in electrode materials is to use ion irradiation as it can produce a supersaturation of point defects in the target material. In this work we report the effect of low-energy proton irradiation on amorphous TiO 2 nanotube electrodes at both room temperature and high temperature (250 °C). Upon room temperature irradiation the nanotubes demonstrate an irradiation-induced phase transformationmore » to a mixture of amorphous, anatase, and rutile domains while showing a 35% reduction in capacity compared to anatase TiO 2. On the other hand, the high temperature proton irradiation induced a disordered rutile phase within the nanotubes as characterized by Raman spectroscopy and transmission electron microscopy, which displays an improved capacity by 20% at ~240 mA h g –1 as well as improved rate capability compared to an unirradiated anatase sample. Voltammetric sweep data were used to determine the contributions from diffusion-limited intercalation and capacitive processes and it was found that the electrodes after irradiation had more contributions from diffusion in lithium charge storage. Finally, our work suggests that tailoring the defect generation through ion irradiation within metal oxide electrodes could present a new avenue for designing advanced electrode materials.« less

Effects of proton irradiation on structural and electrochemical charge storage properties of TiO 2 nanotube electrodes for lithium-ion batteries

DOE Office of Scientific and Technical Information (OSTI.GOV)

Smith, Kassiopeia A.; Savva, Andreas I.; Deng, Changjian

The effects of proton irradiation on nanostructured metal oxides have been investigated. Recent studies suggest that the presence of structural defects (e.g. vacancies and interstitials) in metal oxides may enhance the material's electrochemical charge storage capacity. A new approach to introduce defects in electrode materials is to use ion irradiation as it can produce a supersaturation of point defects in the target material. In this work we report the effect of low-energy proton irradiation on amorphous TiO 2 nanotube electrodes at both room temperature and high temperature (250 °C). Upon room temperature irradiation the nanotubes demonstrate an irradiation-induced phase transformationmore » to a mixture of amorphous, anatase, and rutile domains while showing a 35% reduction in capacity compared to anatase TiO 2. On the other hand, the high temperature proton irradiation induced a disordered rutile phase within the nanotubes as characterized by Raman spectroscopy and transmission electron microscopy, which displays an improved capacity by 20% at ~240 mA h g –1 as well as improved rate capability compared to an unirradiated anatase sample. Voltammetric sweep data were used to determine the contributions from diffusion-limited intercalation and capacitive processes and it was found that the electrodes after irradiation had more contributions from diffusion in lithium charge storage. Finally, our work suggests that tailoring the defect generation through ion irradiation within metal oxide electrodes could present a new avenue for designing advanced electrode materials.« less

The different Li/Na ion storage mechanisms of nano Sb2O3 anchored on graphene

NASA Astrophysics Data System (ADS)

Li, Hai; Qian, Kun; Qin, Xianying; Liu, Dongqing; Shi, Ruiying; Ran, Aihua; Han, Cuiping; He, Yan-Bing; Kang, Feiyu; Li, Baohua

2018-05-01

The antimony oxide/reduced graphene oxide (Sb2O3/rGO) nanocomposites are used as anode of Li-ion and Na-ion batteries (LIBs and NIBs). However, it is unclear about Li-ion and Na-ion storage mechanism in Sb2O3/rGO nanocomposites. Herein, the conversion-alloying mechanisms of Sb2O3/rGO anodes for Na-ion and Li-ion storage are comparatively studied with a combined in-situ XRD and quasi in-situ XPS method. The distinct behaviours are monitored during (de)lithiation and (de)sodiation with respect to crystal structure and chemical composition evolution. It is evidenced that the Na-ion can be easily transported to the inner part of the Sb2O3, where the Li-ion almost cannot reach, leading to a fully transformation during sodiation. In addition, the conversion reaction product of amorphous Na2O display their better chemical stability than amorphous Li2O during electrochemical cycles, which contribute to a stable and long cycling life of NIBs. This work gain insight into the high-capacity anodes with conversation-alloying mechanism for NIBs.

Preparation and Characterization of PbO-SrO-Na2O-Nb2O5-SiO2 Glass Ceramics Thin Film for High-Energy Storage Application

NASA Astrophysics Data System (ADS)

Tan, Feihu; Zhang, Qingmeng; Zhao, Hongbin; Wei, Feng; Du, Jun

2018-03-01

PbO-SrO-Na2O-Nb2O5-SiO2 (PSNNS) glass ceramic thin films were prepared by pulsed laser deposition technology on heavily doped silicon substrates. The influence of annealing temperatures on microstructures, dielectric properties and energy storage performances of the as-prepared films were investigated in detail. X-ray diffraction studies indicate that Pb2Nb2O7 crystallizes at 800°C and disappears at 900°C, while NaNbO3 and PbNb2O6 are formed at the higher temperature of 900°C. The dielectric properties of the glass ceramics thin films have a strong dependence on the phase assemblages that are developed during heat treatment. The maximum dielectric constant value of 171 was obtained for the film annealed at 800°C, owing to the high electric breakdown field strength, The energy storage densities of the PSNNS films annealed at 800°C were as large as 36.9 J/cm3, These results suggest that PSNNS thin films are promising for energy storage applications.

Porous framework of T{sub 2}[Fe(CN){sub 6}].xH{sub 2}O with T=Co, Ni, Cu, Zn, and H{sub 2} storage

DOE Office of Scientific and Technical Information (OSTI.GOV)

Avila, M.; Reguera, L.; Rodriguez-Hernandez, J.

2008-11-15

The materials under study were prepared from aqueous solutions of ferrocyanic acid and salts of the involved transition metals and their crystal structure solved and refined from X-ray powder diffraction data. Complementary information from thermogravimetric, infrared and Moessbauer data was also used for the structural study. Three different crystal structures were found: hexagonal (P-3) for Zn with the zinc atom coordinated to three N ends of CN groups plus a water molecule, cubic (Pm-3m) for Ni and Cu, and monoclinic (P2{sub 1}/m) for Co. For Ni and Cu the obtained solids have an open channel framework related to 50% ofmore » vacancies for the building unit, [Fe(CN){sub 6}]. In the as-synthesized material the framework free volume is occupied by coordinated and hydrogen-bonded water molecules. These of hexacyanoferrates (II) have received certain attention as prototype of materials for the hydrogen storage. In the anhydrous phase of Ni and Cu, 50% of the metal (T) coordination sites, located at the cavities surface, will be available to interact with the hydrogen molecule. However, when the crystal waters are removed the porous frameworks collapse as it is suggested by H{sub 2} and CO{sub 2} adsorption data. For Co, a structure of stacked layers was found where the cobalt atoms have both tetrahedral and octahedral coordination. The layers remain together through a network of hydrogen-bonding interactions between coordinated and weakly bonded water molecules. No H{sub 2} adsorption was observed in the anhydrous phase of Co. For Zn, the porous framework remains stable on the water removal but with a system of narrow channels and a small available volume, also inaccessible to H{sub 2}. - Graphical abstract: Structure of stacked layers for CO{sub 2}[Fe(CN){sub 6}].xH{sub 2}O.« less

Full-dimensional, high-level ab initio potential energy surfaces for H{sub 2}(H{sub 2}O) and H{sub 2}(H{sub 2}O){sub 2} with application to hydrogen clathrate hydrates

DOE Office of Scientific and Technical Information (OSTI.GOV)

Homayoon, Zahra; Conte, Riccardo; Qu, Chen

2015-08-28

New, full-dimensional potential energy surfaces (PESs), obtained using precise least-squares fitting of high-level electronic energy databases, are reported for intrinsic H{sub 2}(H{sub 2}O) two-body and H{sub 2}(H{sub 2}O){sub 2} three-body potentials. The database for H{sub 2}(H{sub 2}O) consists of approximately 44 000 energies at the coupled cluster singles and doubles plus perturbative triples (CCSD(T))-F12a/haQZ (aug-cc-pVQZ for O and cc-pVQZ for H) level of theory, while the database for the three-body interaction consists of more than 36 000 energies at the CCSD(T)-F12a/haTZ (aug-cc-pVTZ for O, cc-pVTZ for H) level of theory. Two precise potentials are based on the invariant-polynomial technique and are comparedmore » to computationally faster ones obtained via “purified” symmetrization. All fits use reduced permutational symmetry appropriate for these non-covalent interactions. These intrinsic potentials are employed together with existing ones for H{sub 2}, H{sub 2}O, and (H{sub 2}O){sub 2}, to obtain full PESs for H{sub 2}(H{sub 2}O) and H{sub 2}(H{sub 2}O){sub 2}. Properties of these full PESs are presented, including a diffusion Monte Carlo calculation of the zero-point energy and wavefunction, and dissociation energy of the H{sub 2}(H{sub 2}O) dimer. These PESs together with an existing one for water clusters are used in a many-body representation of the PES of hydrogen clathrate hydrates, illustrated for H{sub 2}@(H{sub 2}O){sub 20}. An analysis of this hydrate is presented, including the electronic dissociation energy to remove H{sub 2} from the calculated equilibrium structure.« less

Formation of NiFe2O4/Expanded Graphite Nanocomposites with Superior Lithium Storage Properties

NASA Astrophysics Data System (ADS)

Xiao, Yinglin; Zai, Jiantao; Tian, Bingbing; Qian, Xuefeng

2017-07-01

A NiFe2O4/expanded graphite (NiFe2O4/EG) nanocomposite was prepared via a simple and inexpensive synthesis method. Its lithium storage properties were studied with the goal of applying it as an anode in a lithium-ion battery. The obtained nanocomposite exhibited a good cycle performance, with a capacity of 601 mAh g-1 at a current of 1 A g-1 after 800 cycles. This good performance may be attributed to the enhanced electrical conductivity and layered structure of the EG. Its high mechanical strength could postpone the disintegration of the nanocomposite structure, efficiently accommodate volume changes in the NiFe2O4-based anodes, and alleviate aggregation of NiFe2O4 nanoparticles.

Understanding the Size-Dependent Sodium Storage Properties of Na2C6O6-Based Organic Electrodes for Sodium-Ion Batteries.

PubMed

Wang, Yaqun; Ding, Yu; Pan, Lijia; Shi, Ye; Yue, Zhuanghao; Shi, Yi; Yu, Guihua

2016-05-11

Organic electroactive materials represent a new generation of sustainable energy storage technology due to their unique features including environmental benignity, material sustainability, and highly tailorable properties. Here a carbonyl-based organic salt Na2C6O6, sodium rhodizonate (SR) dibasic, is systematically investigated for high-performance sodium-ion batteries. A combination of structural control, electrochemical analysis, and computational simulation show that rational morphological control can lead to significantly improved sodium storage performance. A facile antisolvent method was developed to synthesize microbulk, microrod, and nanorod structured SRs, which exhibit strong size-dependent sodium ion storage properties. The SR nanorod exhibited the best performance to deliver a reversible capacity of ∼190 mA h g(-1) at 0.1 C with over 90% retention after 100 cycles. At a high rate of 10 C, 50% of the capacity can be obtained due to enhanced reaction kinetics, and such high electrochemical activity maintains even at 80 °C. These results demonstrate a generic design route toward high-performance organic-based electrode materials for beyond Li-ion batteries. Using such a biomass-derived organic electrode material enables access to sustainable energy storage devices with low cost, high electrochemical performance and thermal stability.

Candidate Water Vapor Lines to Locate the H2O Snowline through High-dispersion Spectroscopic Observations. III. Submillimeter H2 16O and H2 18O Lines

NASA Astrophysics Data System (ADS)

Notsu, Shota; Nomura, Hideko; Walsh, Catherine; Honda, Mitsuhiko; Hirota, Tomoya; Akiyama, Eiji; Millar, T. J.

2018-03-01

In this paper, we extend the results presented in our former papers on using ortho-{{{H}}}2{}16{{O}} line profiles to constrain the location of the H2O snowline in T Tauri and Herbig Ae disks, to include submillimeter para-{{{H}}}2{}16{{O}} and ortho- and para-{{{H}}}2{}18{{O}} lines. Since the number densities of the ortho- and para-{{{H}}}2{}18{{O}} molecules are about 560 times smaller than their 16O analogs, they trace deeper into the disk than the ortho-{{{H}}}2{}16{{O}} lines (down to z = 0, i.e., the midplane). Thus these {{{H}}}2{}18{{O}} lines are potentially better probes of the position of the H2O snowline at the disk midplane, depending on the dust optical depth. The values of the Einstein A coefficients of submillimeter candidate water lines tend to be lower (typically <10‑4 s‑1) than infrared candidate water lines. Thus in the submillimeter candidate water line cases, the local intensity from the outer optically thin region in the disk is around 104 times smaller than that in the infrared candidate water line cases. Therefore, in the submillimeter lines, especially {{{H}}}2{}18{{O}} and para-{{{H}}}2{}16{{O}} lines with relatively lower upper state energies (∼a few 100 K) can also locate the position of the H2O snowline. We also investigate the possibility of future observations with ALMA to identify the position of the water snowline. There are several candidate water lines that trace the hot water gas inside the H2O snowline in ALMA Bands 5–10.

Mechanochemically Reduced SiO2 by Ti Incorporation as Lithium Storage Materials.

PubMed

Kim, Kyungbae; Moon, Janghyuk; Lee, Jaewoo; Yu, Ji-Sang; Cho, Maenghyo; Cho, Kyeongjae; Park, Min-Sik; Kim, Jae-Hun; Kim, Young-Jun

2015-09-21

This study presents a simple and effective method of reducing amorphous silica (a-SiO2 ) with Ti metal through high-energy mechanical milling for improving its reactivity when used as an anode material in lithium-ion batteries. Through thermodynamic calculations, it is determined that Ti metal can easily take oxygen atoms from a-SiO2 by forming a thermodynamically stable SiO2-x /TiOx composite, meaning that electrochemically inactive a-SiO2 is partially reduced by the addition of Ti metal powder during milling. This mechanically reduced SiO2-x /TiOx composite anode exhibits a greatly improved electrochemical reactivity, with a reversible capacity of more than 700 mAh g(-1) and excellent cycle performance over 100 cycles. Furthermore, an enhancement in the mechanical and thermal stability of the composite during cycling can be mainly attributed to the in situ formation of the SiO2-x /TiOx phase. These findings provide new insight into the rational design of robust, high-capacity, Si-based anode materials, as well as their reaction mechanism. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Photoelectron spectroscopic study of the hydrated nucleoside anions: Uridine(-)(H(2)O)(n=0-2), cytidine(-)(H(2)O)(n=0-2), and thymidine(-)(H(2)O)(n=0,1).

PubMed

Li, Xiang; Wang, Haopeng; Bowen, Kit H

2010-10-14

The hydrated nucleoside anions, uridine(-)(H(2)O)(n=0-2), cytidine(-)(H(2)O)(n=0-2), and thymidine(-)(H(2)O)(n=0,1), have been prepared in beams and studied by anion photoelectron spectroscopy in order to investigate the effects of a microhydrated environment on parent nucleoside anions. Vertical detachment energies (VDEs) were measured for all eight anions, and from these, estimates were made for five sequential anion hydration energies. Excellent agreement was found between our measured VDE value for thymidine(-)(H(2)O)(1) and its calculated value in the companion article by S. Kim and H. F. Schaefer III.

Photoelectron spectroscopic study of the hydrated nucleoside anions: Uridine-(H2O)n=0-2, cytidine-(H2O)n=0-2, and thymidine-(H2O)n=0,1

NASA Astrophysics Data System (ADS)

Li, Xiang; Wang, Haopeng; Bowen, Kit H.

2010-10-01

The hydrated nucleoside anions, uridine-(H2O)n=0-2, cytidine-(H2O)n=0-2, and thymidine-(H2O)n=0,1, have been prepared in beams and studied by anion photoelectron spectroscopy in order to investigate the effects of a microhydrated environment on parent nucleoside anions. Vertical detachment energies (VDEs) were measured for all eight anions, and from these, estimates were made for five sequential anion hydration energies. Excellent agreement was found between our measured VDE value for thymidine-(H2O)1 and its calculated value in the companion article by S. Kim and H. F. Schaefer III.

Concurrent separation of CO2 and H2O from air by a temperature-vacuum swing adsorption/desorption cycle.

PubMed

Wurzbacher, Jan Andre; Gebald, Christoph; Piatkowski, Nicolas; Steinfeld, Aldo

2012-08-21

A temperature-vacuum swing (TVS) cyclic process is applied to an amine-functionalized nanofibrilated cellulose sorbent to concurrently extract CO(2) and water vapor from ambient air. The promoting effect of the relative humidity on the CO(2) capture capacity and on the amount of coadsorbed water is quantified. The measured specific CO(2) capacities range from 0.32 to 0.65 mmol/g, and the corresponding specific H(2)O capacities range from 0.87 to 4.76 mmol/g for adsorption temperatures varying between 10 and 30 °C and relative humidities varying between 20 and 80%. Desorption of CO(2) is achieved at 95 °C and 50 mbar(abs) without dilution by a purge gas, yielding a purity exceeding 94.4%. Sorbent stability and a closed mass balance for both H(2)O and CO(2) are demonstrated for ten consecutive adsorption-desorption cycles. The specific energy requirements of the TVS process based on the measured H(2)O and CO(2) capacities are estimated to be 12.5 kJ/mol(CO2) of mechanical (pumping) work and between 493 and 640 kJ/mol(CO2) of heat at below 100 °C, depending on the air relative humidity. For a targeted CO(2) capacity of 2 mmol/g, the heat requirement would be reduced to between 272 and 530 kJ/mol(CO2), depending strongly on the amount of coadsorbed water.

Reversible Li storage for nanosize cation/anion-disordered rocksalt-type oxyfluorides: LiMoO2 - x LiF (0 ≤ x ≤ 2) binary system

NASA Astrophysics Data System (ADS)

Takeda, Nanami; Hoshino, Satoshi; Xie, Lixin; Chen, Shuo; Ikeuchi, Issei; Natsui, Ryuichi; Nakura, Kensuke; Yabuuchi, Naoaki

2017-11-01

A binary system of LiMoO2 - x LiF (0 ≤ x ≤ 2), Li1+xMoO2Fx, is systematically studied as potential positive electrode materials for rechargeable Li batteries. Single phase and nanosized samples on this binary system are successfully prepared by using a mechanical milling route. Crystal structures and Li storage properties on the binary system are also examined. Li2MoO2F (x = 1), which is classified as a cation-/anion-disordered rocksalt-type structure and is a thermodynamically metastable phase, delivers a large reversible capacity of over 300 mAh g-1 in Li cells with good reversibility. Highly reversible Li storage is realized for Li2MoO2F consisting of nanosized particles based on Mo3+/Mo5+ two-electron redox as evidenced by ex-situ X-ray absorption spectroscopy coupled with ex-situ X-ray diffractometry. Moreover, the presence of the most electronegative element in the framework structure effectively increases the electrode potential of Mo redox through an inductive effect. From these results, potential of nanosized lithium molybdenum oxyfluorides for high-capacity positive electrode materials of rechargeable Li batteries are discussed.

Preservation of H2 production activity in nanoporous latex coatings of Rhodopseudomonas palustris CGA009 during dry storage at ambient temperatures

PubMed Central

Piskorska, M; Soule, T; Gosse, J L; Milliken, C; Flickinger, M C; Smith, G W; Yeager, C M

2013-01-01

Summary To assess the applicability of latex cell coatings as an ‘off-the-shelf’ biocatalyst, the effect of osmoprotectants, temperature, humidity and O2 on preservation of H2 production in Rhodopseudomonas palustris coatings was evaluated. Immediately following latex coating coalescence (24 h) and for up to 2 weeks of dry storage, rehydrated coatings containing different osmoprotectants displayed similar rates of H2 production. Beyond 2 weeks of storage, sorbitol-treated coatings lost all H2 production activity, whereas considerable H2 production was still detected in sucrose- and trehalose-stabilized coatings. The relative humidity level at which the coatings were stored had a significant impact on the recovery and subsequent rates of H2 production. After 4 weeks storage under air at 60% humidity, coatings produced only trace amounts of H2 (0–0.1% headspace accumulation), whereas those stored at < 5% humidity retained 27–53% of their H2 production activity after 8 weeks of storage. When stored in argon at < 5% humidity and room temperature, R. palustris coatings retained full H2 production activity for 3 months, implicating oxidative damage as a key factor limiting coating storage. Overall, the results demonstrate that biocatalytic latex coatings are an attractive cell immobilization platform for preservation of bioactivity in the dry state. PMID:23331993

Porous SnO2-CuO nanotubes for highly reversible lithium storage

NASA Astrophysics Data System (ADS)

Cheong, Jun Young; Kim, Chanhoon; Jung, Ji-Won; Yoon, Ki Ro; Kim, Il-Doo

2018-01-01

Facile synthesis of rationally designed structures is critical to realize a high performance electrode for lithium-ion batteries (LIBs). Among different candidates, tin(IV) oxide (SnO2) is one of the most actively researched electrode materials due to its high theoretical capacity (1493 mAh g-1), abundance, inexpensive costs, and environmental friendliness. However, severe capacity decay from the volume expansion and low conductivity of SnO2 have hampered its use as a feasible electrode for LIBs. Rationally designed SnO2-based nanostructures with conductive materials can be an ideal solution to resolve such limitations. In this work, we have successfully fabricated porous SnO2-CuO composite nanotubes (SnO2-CuO p-NTs) by electrospinning and subsequent calcination step. The porous nanotubular structure is expected to mitigate the volume expansion of SnO2, while the as-formed Cu from CuO upon lithiation allows faster electron transport by improving the low conductivity of SnO2. With a synergistic effect of both Sn and Cu-based oxides, SnO2-CuO p-NTs deliver stable cycling performance (91.3% of capacity retention, ∼538 mAh g-1) even after 350 cycles at a current density of 500 mA g-1, along with enhanced rate capabilities compared with SnO2.

Capacity value of energy storage considering control strategies.

PubMed

Shi, Nian; Luo, Yi

2017-01-01

In power systems, energy storage effectively improves the reliability of the system and smooths out the fluctuations of intermittent energy. However, the installed capacity value of energy storage cannot effectively measure the contribution of energy storage to the generator adequacy of power systems. To achieve a variety of purposes, several control strategies may be utilized in energy storage systems. The purpose of this paper is to study the influence of different energy storage control strategies on the generation adequacy. This paper presents the capacity value of energy storage to quantitatively estimate the contribution of energy storage on the generation adequacy. Four different control strategies are considered in the experimental method to study the capacity value of energy storage. Finally, the analysis of the influence factors on the capacity value under different control strategies is given.

Removal of petroleum hydrocarbons from contaminated groundwater by the combined technique of adsorption onto perlite followed by the O3/H2O2 process.

PubMed

Moussavi, Gholamreza; Bagheri, Amir

2012-09-01

Groundwater contaminated with petroleum hydrocarbons was treated using a combined system of adsorption onto powdered expanded perlite (PEP) followed by the O3/H2O2 process. The pretreatment investigations indicated a high capacity for PEP to remove petroleum hydrocarbons from the contaminated water. An experimental total petroleum hydrocarbon (TPH) adsorption capacity of 275 mg/g PEP was obtained at the natural pH of water. The experimental data fit best with the Freundlich isotherm model and pseudo-second-order adsorption model. The second phase of the experiment evaluated the performance of the O3/H2O2 process in the removal of residual TPH from pretreated water and compared the results with that of raw water. The O3/H202 process attained a maximum TPH removal rate for the pretreated water after 70 min, when 93% of the residual TPH in the effluent of the adsorption system was removed. Overall, the combination of adsorption onto PEP for 100 min and the subsequent treatment with the O3/H2O2 process for 70min eliminated over 99% of the TPH of highly petroleum-contaminated groundwater, with initial values of 162 mg/L. Therefore, we can conclude that the developed treatment system is an appropriate method of remediation for petroleum-contaminated waters.

Infrared photodissociation spectroscopy of H(+)(H2O)6·M(m) (M = Ne, Ar, Kr, Xe, H2, N2, and CH4): messenger-dependent balance between H3O(+) and H5O2(+) core isomers.

PubMed

Mizuse, Kenta; Fujii, Asuka

2011-04-21

Although messenger mediated spectroscopy is a widely-used technique to study gas phase ionic species, effects of messengers themselves are not necessarily clear. In this study, we report infrared photodissociation spectroscopy of H(+)(H(2)O)(6)·M(m) (M = Ne, Ar, Kr, Xe, H(2), N(2), and CH(4)) in the OH stretch region to investigate messenger(M)-dependent cluster structures of the H(+)(H(2)O)(6) moiety. The H(+)(H(2)O)(6), the protonated water hexamer, is the smallest system in which both the H(3)O(+) (Eigen) and H(5)O(2)(+) (Zundel) hydrated proton motifs coexist. All the spectra show narrower band widths reflecting reduced internal energy (lower vibrational temperature) in comparison with bare H(+)(H(2)O)(6). The Xe-, CH(4)-, and N(2)-mediated spectra show additional band features due to the relatively strong perturbation of the messenger. The observed band patterns in the Ar-, Kr-, Xe-, N(2)-, and CH(4)-mediated spectra are attributed mainly to the "Zundel" type isomer, which is more stable. On the other hand, the Ne- and H(2)-mediated spectra are accounted for by a mixture of the "Eigen" and "Zundel" types, like that of bare H(+)(H(2)O)(6). These results suggest that a messenger sometimes imposes unexpected isomer-selectivity even though it has been thought to be inert. Plausible origins of the isomer-selectivity are also discussed.

Oxidative degradation of endotoxin by advanced oxidation process (O3/H2O2 & UV/H2O2).

PubMed

Oh, Byung-Taek; Seo, Young-Suk; Sudhakar, Dega; Choe, Ji-Hyun; Lee, Sang-Myeong; Park, Youn-Jong; Cho, Min

2014-08-30

The presence of endotoxin in water environments may pose a serious public health hazard. We investigated the effectiveness of advanced oxidative processes (AOP: O3/H2O2 and UV/H2O2) in the oxidative degradation of endotoxin. In addition, we measured the release of endotoxin from Escherichia coli following typical disinfection methods, such as chlorine, ozone alone and UV, and compared it with the use of AOPs. Finally, we tested the AOP-treated samples in their ability to induce tumor necrosis factor alpha (TNF-α) in mouse peritoneal macrophages. The production of hydroxyl radical in AOPs showed superior ability to degrade endotoxin in buffered solution, as well as water samples from Korean water treatment facilities, with the ozone/H2O2 being more efficient compared to UV/H2O2. In addition, the AOPs proved effective not only in eliminating E. coli in the samples, but also in endotoxin degradation, while the standard disinfection methods lead to the release of endotoxin following the bacteria destruction. Furthermore, in the experiments with macrophages, the AOPs-deactivated endotoxin lead to the smallest induction of TNF-α, which shows the loss of inflammation activity, compared to ozone treatment alone. In conclusion, these results suggest that AOPs offer an effective and mild method for endotoxin degradation in the water systems. Copyright © 2014 Elsevier B.V. All rights reserved.

Low Temperature Vacuum Synthesis of Triangular CoO Nanocrystal/Graphene Nanosheets Composites with Enhanced Lithium Storage Capacity

PubMed Central

Guan, Qun; Cheng, Jianli; Li, Xiaodong; Wang, Bin; Huang, Ling; Nie, Fude; Ni, Wei

2015-01-01

CoO nanocrystal/graphene nanosheets (GNS) composites, consisting of a triangular CoO nanocrystal of 2~20 nm on the surface of GNS, are synthesized by a mild synthetic method. First, cobalt acetate tetrahydrate is recrystallized in the alcohol solution at a low temperature. Then, graphene oxide mixed with cobalt-precursor followed by high vacuum annealing to form the CoO nanocrystal/GNS composites. The CoO nanocrystal/GNS composites exhibit a high reversible capacity of 1481.9 m Ah g−1 after 30 cycles with a high Coulombic efficiency of over 96% when used as anode materials for lithium ion battery. The excellent electrochemical performances may be attributed to the special structure of the composites. The well-dispersed triangular CoO nanocrystal on the substrate of conductive graphene can not only have a shorter diffusion length for lithium ions, better stress accommodation capability during the charge-discharge processes and more accessible active sites for lithium-ion storage and electrolyte wetting, but also possess a good conductive network, which can significantly improve the whole electrochemical performance. PMID:25961670

On the role of the termolecular reactions 2O2 + H2 → 2HO2 and 2O2 + H2 → H + HO2 + O2 in formation of the first radicals in hydrogen combustion: ab initio predictions of energy barriers.

PubMed

Monge-Palacios, M; Rafatijo, Homayoon

2017-01-18

We have investigated the role of termolecular reactions in the early chemistry of hydrogen combustion. We performed molecular chemical dynamics simulations using ReaxFF in LAMMPS to identify potential initial reactions for a 1 : 4 mixture of H 2  : O 2 in the NVT ensemble at density 276.3 kg m -3 and ∼3000 K (∼4000 atm) and ∼4000 K (∼5000 atm), and then characterized the saddle points for those reactions using ab initio methods: CCSD(T) = FC/cc-pVTZ//MP2/6-31G, CCSD(T) = FULL/aug-cc-pVTZ//CCSD = FC/cc-pVTZ and CASSCF MP2/6-31G//MP2/6-31G. The main initial reaction is H 2 + O 2 → H + HO 2 , frequently occurring in the presence of a second O 2 as a third body; that is, 2O 2 + H 2 → H + HO 2 + O 2 . The second most frequent reaction is 2O 2 + H 2 → 2HO 2 . We found three saddle points on the triplet PES of these termolecular reactions: one for 2O 2 + H 2 → H + HO 2 + O 2 and two for 2O 2 + H 2 → 2HO 2 . In the latter case, one has a symmetric structure consistent with simultaneous formation of two HO 2 and the other corresponds to a bimolecular reaction between O 2 and H 2 that is "interrupted" by a second O 2 before going to completion. The classical barrier height of the symmetric saddle point for 2O 2 + H 2 → 2HO 2 is 49.8 kcal mol -1 . The barrier to H 2 + O 2 → H + HO 2 is 58.9 kcal mol -1 . The termolecular reaction will be competitive with H 2 + O 2 → H + HO 2 only at sufficiently high pressures.

Redox exchange induced MnO2 nanoparticle enrichment in poly(3,4-ethylenedioxythiophene) nanowires for electrochemical energy storage.

PubMed

Liu, Ran; Duay, Jonathon; Lee, Sang Bok

2010-07-27

MnO2 nanoparticle enriched poly(3,4-ethylenedioxythiophene) (PEDOT) nanowires are fabricated by simply soaking the PEDOT nanowires in potassium permanganate (KMnO4) solution. The structures of these MnO2 nanoparticle enriched PEDOT nanowires are characterized by SEM and TEM, which show that the MnO2 nanoparticles have uniform sizes and are finely dispersed in the PEDOT matrix. The chemical constituents and bonding of these composite nanowires are characterized by energy-dispersive X-ray analysis, X-ray photoelectron spectroscopy, and infrared spectroscopy, which indicate that the formation and dispersion of these MnO2 nanoparticles into the nanoscale pores of the PEDOT nanowires are most likely triggered by the reduction of KMnO4 via the redox exchange of permanganate ions with the functional group on PEDOT. Varying the concentrations of KMnO4 and the reaction time controls the loading amount and size of the MnO2 nanoparticles. Cyclic voltammetry and galvanostatic charge-discharge are used to characterize the electrochemical properties of these MnO2 nanoparticle loaded PEDOT nanowires. Due to their extremely high exposed surface area with nanosizes, the pristine MnO2 nanoparticles in these MnO2 nanoparticle enriched PEDOT nanowires show very high specific capacitance (410 F/g) as the supercapacitor electrode materials as well as high Li+ storage capacity (300 mAh/g) as cathode materials of Li ion battery, which boost the energy storage capacity of PEDOT nanowires to 4 times without causing excessive volume expansion in the polymer. The highly conductive and porous PEDOT matrix facilitates fast charge/discharge of the MnO2 nanoparticles and prevents them from agglomerating. These synergic properties enable the MnO2 nanoparticle enriched PEDOT nanowires to be promising electrode materials for supercapacitors and lithium ion batteries.

2-Oxoglutarate dehydrogenase is a more significant source of O2(·-)/H2O2 than pyruvate dehydrogenase in cardiac and liver tissue.

PubMed

Mailloux, Ryan J; Gardiner, Danielle; O'Brien, Marisa

2016-08-01

Pyruvate dehydrogenase (Pdh) and 2-oxoglutarate dehydrogenase (Ogdh) are vital for Krebs cycle metabolism and sources of reactive oxygen species (ROS). O2(·-)/H2O2 formation by Pdh and Ogdh from porcine heart were compared when operating under forward or reverse electron transfer conditions. Comparisons were also conducted with liver and cardiac mitochondria. During reverse electron transfer (RET) from NADH, purified Ogdh generated ~3-3.5× more O2(·-)/H2O2 in comparison to Pdh when metabolizing 0.5-10µM NADH. Under forward electron transfer (FET) conditions Ogdh generated ~2-4× more O2(·-)/H2O2 than Pdh. In both liver and cardiac mitochondria, Ogdh displayed significantly higher rates of ROS formation when compared to Pdh. Ogdh was also a significant source of ROS in liver mitochondria metabolizing 50µM and 500µM pyruvate or succinate. Finally, we also observed that DTT directly stimulated O2(·-)/H2O2 formation by purified Pdh and Ogdh and in cardiac or liver mitochondria in the absence of substrates and cofactors. Taken together, Ogdh is a more potent source of ROS than Pdh in liver and cardiac tissue. Ogdh is also an important ROS generator regardless of whether pyruvate or succinate serve as the sole source of carbon. Our observations provide insight into the ROS generating capacity of either complex in cardiac and liver tissue. The evidence presented herein also indicates DTT, a reductant that is routinely added to biological samples, should be avoided when assessing mitochondrial O2(·-)/H2O2 production. Copyright © 2016 Elsevier B.V. All rights reserved.

FLYING-WATER Renewables-H2-H2O TERRAFORMING: PERMANENT Drought(s)-Elimination FOREVER!!!

NASA Astrophysics Data System (ADS)

Ertl, G.; Alefeld, G.; Youdelis, W.; Radd, H.; Oertle, G.; Siegel, Edward

2011-03-01

"H2O H2O everywhere; ne'er a drop to drink"[Coleridge(1798)]; now: "H2 H2 everywhere; STILL ne'er a drop to drink": ONLY H2 (or methane CH4) can be FLYING-WATER(F-W) chemical-rain-in-pipelines Hindenberg-effect (H2-UP;H2O-DOWN): {O/H2O}=[16]/[18] 90 % ; O already in air uphill; NO H2O pumping need! In global-warming driven H2O-starved glacial-melting world, rescue is possible ONLY by Siegel [{3rd Intl. Conf. Alt.-Energy }(1980)-vol.5/p.459!!!] Renewables-H2-H2O purposely flexible versatile agile customizable scaleable retrofitable integrated operating-system. Rosenfeld[Science 315,1396(3/9/2007)]-Biello [Sci.Am.(3/9/2007)] crucial geomorph-ology which ONLY maximal-buoyancy H2 can exploit, to again make "Mountains into Fountains", ``upthrust rocks trapping the clouds to precipitate their rain/snow/H2O'': "terraforming"(and ocean-rebasificaton!!!) Siegel proprietary magnetic-hydrogen-valve (MHV) permits H2 flow in already in-ground dense BCC/ferritic-steels pipelines-network (NO new infrastructure) counters Tromp[Science 300,1740(2003)] dire warning of global-pandemics (cancers/ blindness/famine) Hydrogen-economy CATASTROPHIC H2 ozone-layer destruction sobering cavat to dangerous H2-automotion-economy panacea hype!!!

An Investigation of Armenite, BaCa2Al6Si9O302H2O.H2O Molecules and H Bonding in Microporous Silicates

NASA Astrophysics Data System (ADS)

Geiger, C. A.; Gatta, G.; Xue, X.; McIntyre, G.

2012-12-01

The crystal chemistry of armenite, ideally BaCa2Al6Si9O30.2H2O, a double-ring structure belonging to the milarite group, was studied to better understand the nature of extra-framework "Ca-oxygen-anion-H2O-molecule quasi-clusters" and H bonding behavior in microporous silicates. Neutron and X-ray single-crystal diffraction and IR powder and 1H NMR spectroscopic measurements were made. Four crystallographically independent Ca and H2O molecule sites were refined from the diffraction data, whereby both sites appear to have partial occupancies such that locally a Ca atom can have only a single H2O molecule bonded to it through an ion-dipole interaction. The Ca cation is further bonded to six O atoms of the framework forming a quasi cluster around it. The neutron results give the first static description of the protons in armenite, allowing bond distances and angles relating to the H2O molecules and H bonds to be determined. The IR spectrum of armenite is characterized in the OH-stretching region at RT by two broad bands at roughly 3470 and 3410 cm-1 and by a single H2O bending mode at 1654 cm-1. At 10 K four intense OH bands are located at 3479, 3454, 3401 and 3384 cm-1 and two H2O bending modes at 1650 and 1606 cm-1. The 1H MAS NMR spectrum shows a single strong resonance near 5.3 ppm and a smaller one near 2.7 ppm. The former can be assigned to H2O molecules bonded to Ca and the latter to weakly bonded H2O located at a site at the center of the structural double ring and it is partially occupied. The nature of H bonding in the microporous Ca-bearing zeolites scolecite, wairakite and epistilbite are also analyzed. The average OH stretching wavenumber shown by the IR spectra of armenite (~3435 cm-1) and scolecite (~3430 cm-1) are similar, while the average OH wavenumbers for wairakite (~3475 cm-1) and epistilbite (~3500 cm-1) are greater. In all cases the average OH stretching wavenumber is more similar to that of liquid water (~3400 cm-1) than of ice (~3220 cm-1). The

Capacity value of energy storage considering control strategies

PubMed Central

Luo, Yi

2017-01-01

In power systems, energy storage effectively improves the reliability of the system and smooths out the fluctuations of intermittent energy. However, the installed capacity value of energy storage cannot effectively measure the contribution of energy storage to the generator adequacy of power systems. To achieve a variety of purposes, several control strategies may be utilized in energy storage systems. The purpose of this paper is to study the influence of different energy storage control strategies on the generation adequacy. This paper presents the capacity value of energy storage to quantitatively estimate the contribution of energy storage on the generation adequacy. Four different control strategies are considered in the experimental method to study the capacity value of energy storage. Finally, the analysis of the influence factors on the capacity value under different control strategies is given. PMID:28558027

Catalase-dependent H2O2 consumption by cardiac mitochondria and redox-mediated loss in insulin signaling.

PubMed

Rindler, Paul M; Cacciola, Angela; Kinter, Michael; Szweda, Luke I

2016-11-01

We have recently demonstrated that catalase content in mouse cardiac mitochondria is selectively elevated in response to high dietary fat, a nutritional state associated with oxidative stress and loss in insulin signaling. Catalase and various isoforms of glutathione peroxidase and peroxiredoxin each catalyze the consumption of H 2 O 2 Catalase, located primarily within peroxisomes and to a lesser extent mitochondria, has a low binding affinity for H 2 O 2 relative to glutathione peroxidase and peroxiredoxin. As such, the contribution of catalase to mitochondrial H 2 O 2 consumption is not well understood. In the current study, using highly purified cardiac mitochondria challenged with micromolar concentrations of H 2 O 2 , we found that catalase contributes significantly to mitochondrial H 2 O 2 consumption. In addition, catalase is solely responsible for removal of H 2 O 2 in nonrespiring or structurally disrupted mitochondria. Finally, in mice fed a high-fat diet, mitochondrial-derived H 2 O 2 is responsible for diminished insulin signaling in the heart as evidenced by reduced insulin-stimulated Akt phosphorylation. While elevated mitochondrial catalase content (∼50%) enhanced the capacity of mitochondria to consume H 2 O 2 in response to high dietary fat, the selective increase in catalase did not prevent H 2 O 2 -induced loss in cardiac insulin signaling. Taken together, our results indicate that mitochondrial catalase likely functions to preclude the formation of high levels of H 2 O 2 without perturbing redox-dependent signaling. Copyright © 2016 the American Physiological Society.

Heat capacities and thermal conductivities of AmO 2 and AmO 1.5

NASA Astrophysics Data System (ADS)

Nishi, Tsuyoshi; Itoh, Akinori; Ichise, Kenichi; Arai, Yasuo

2011-07-01

The thermal diffusivity of AmO 2 was measured from 473 to 773 K and that of AmO 1.5 between 473 and 1373 K using a laser flash method. The enthalpy increment of AmO 2 was measured from 335 to 1081 K and that of AmO 1.5 between 335 and 1086 K using drop calorimetry. The heat capacities of AmO 2 and AmO 1.5 were derived from the enthalpy increment measurements. The thermal conductivity was determined from the measured thermal diffusivity, heat capacity and bulk density. The heat capacities of AmO 2 was found larger than that of AmO 1.5. The thermal conductivities of AmO 2 and AmO 1.5 were found to decrease with increasing temperature in the investigated temperature range. The thermal conductivity of AmO 1.5 with A -type hexagonal structure was smaller than that of AmO 2 with C-type fluorite structure but larger than that of sub-stoichiometric AmO 1.73.

Robo-line storage: Low latency, high capacity storage systems over geographically distributed networks

NASA Technical Reports Server (NTRS)

Katz, Randy H.; Anderson, Thomas E.; Ousterhout, John K.; Patterson, David A.

1991-01-01

Rapid advances in high performance computing are making possible more complete and accurate computer-based modeling of complex physical phenomena, such as weather front interactions, dynamics of chemical reactions, numerical aerodynamic analysis of airframes, and ocean-land-atmosphere interactions. Many of these 'grand challenge' applications are as demanding of the underlying storage system, in terms of their capacity and bandwidth requirements, as they are on the computational power of the processor. A global view of the Earth's ocean chlorophyll and land vegetation requires over 2 terabytes of raw satellite image data. In this paper, we describe our planned research program in high capacity, high bandwidth storage systems. The project has four overall goals. First, we will examine new methods for high capacity storage systems, made possible by low cost, small form factor magnetic and optical tape systems. Second, access to the storage system will be low latency and high bandwidth. To achieve this, we must interleave data transfer at all levels of the storage system, including devices, controllers, servers, and communications links. Latency will be reduced by extensive caching throughout the storage hierarchy. Third, we will provide effective management of a storage hierarchy, extending the techniques already developed for the Log Structured File System. Finally, we will construct a protototype high capacity file server, suitable for use on the National Research and Education Network (NREN). Such research must be a Cornerstone of any coherent program in high performance computing and communications.

Carbonate-H2O2 Leaching for Sequestering Uranium from Seawater

DOE Office of Scientific and Technical Information (OSTI.GOV)

Pan, Horng-Bin; Weisheng, Liao; Wai, Chien

Uranium adsorbed on amidoxime-based polyethylene fiber in simulated seawater can be quantitatively eluted at room temperature using 1M Na2CO3 containing 0.1 M H2O2. This efficient elution process is probably due to formation of an extremely stable uranyl-peroxo-carbonato complex in the carbonate solution. After washing with water, the sorbent can be reused with little loss of uranium loading capacity. Possible existence of this stable uranyl species in ocean water is also discussed.

Flower-like hydrogenated TiO2(B) nanostructures as anode materials for high-performance lithium ion batteries

NASA Astrophysics Data System (ADS)

Zhang, Zhonghua; Zhou, Zhenfang; Nie, Sen; Wang, Honghu; Peng, Hongrui; Li, Guicun; Chen, Kezheng

2014-12-01

Flower-like hydrogenated TiO2(B) nanostructures have been synthesized via a facile solvothermal approach combined with hydrogenation treatment. The obtained TiO2(B) nanostructures show uniform and hierarchical flower-like morphology with a diameter of 124 ± 5 nm, which are further constructed by primary nanosheets with a thickness of 10 ± 1.2 nm. The Ti3+ species and/or oxygen vacancies are well introduced into the structures of TiO2(B) after hydrogen reduction, resulting in an enhancement in the electronic conductivity (up to 2.79 × 10-3 S cm-1) and the modified surface electrochemical activity. When evaluated for lithium storage capacity, the hydrogenated TiO2(B) nanostructures exhibit enhanced electrochemical energy storage performances compared to the pristine TiO2(B) nanostructures, including high capacity (292.3 mA h g-1 at 0.5C), excellent rate capability (179.6 mA h g-1 at 10C), and good cyclic stability (98.4% capacity retention after 200 cycles at 10C). The reasons for these improvements are explored in terms of the increased electronic conductivity and the facilitation of lithium ion transport arising from the introduction of oxygen vacancies and the unique flower-like morphologies.

Na2MnSiO4 as an attractive high capacity cathode material for sodium-ion battery

NASA Astrophysics Data System (ADS)

Law, Markas; Ramar, Vishwanathan; Balaya, Palani

2017-08-01

Here we report a polyanion-based cathode material for sodium-ion batteries, Na2MnSiO4, registering impressive sodium storage performances with discharge capacity of 210 mAh g-1 at an average voltage of 3 V at 0.1 C, along with excellent long-term cycling stability (500 cycles at 1 C). Insertion/extraction of ∼1.5 mol of sodium ion per formula unit of the silicate-based compound is reported and the utilisation of Mn2+ ⇋ Mn4+ redox couple is also demonstrated by ex-situ XPS. Besides, this study involves a systematic investigation of influence of the electrolyte additive (with different content) on the sodium storage performance of Na2MnSiO4. The electrolyte additive forms an optimum protective passivation film on the electrode surface, successfully reducing manganese dissolution.

Anion- or Cation-Exchange Membranes for NaBH4/H2O2 Fuel Cells?

PubMed Central

Šljukić, Biljana; Morais, Ana L.; Santos, Diogo M. F.; Sequeira, César A. C.

2012-01-01

Direct borohydride fuel cells (DBFC), which operate on sodium borohydride (NaBH4) as the fuel, and hydrogen peroxide (H2O2) as the oxidant, are receiving increasing attention. This is due to their promising use as power sources for space and underwater applications, where air is not available and gas storage poses obvious problems. One key factor to improve the performance of DBFCs concerns the type of separator used. Both anion- and cation-exchange membranes may be considered as potential separators for DBFC. In the present paper, the effect of the membrane type on the performance of laboratory NaBH4/H2O2 fuel cells using Pt electrodes is studied at room temperature. Two commercial ion-exchange membranes from Membranes International Inc., an anion-exchange membrane (AMI-7001S) and a cation-exchange membrane (CMI-7000S), are tested as ionic separators for the DBFC. The membranes are compared directly by the observation and analysis of the corresponding DBFC’s performance. Cell polarization, power density, stability, and durability tests are used in the membranes’ evaluation. Energy densities and specific capacities are estimated. Most tests conducted, clearly indicate a superior performance of the cation-exchange membranes over the anion-exchange membrane. The two membranes are also compared with several other previously tested commercial membranes. For long term cell operation, these membranes seem to outperform the stability of the benchmark Nafion membranes but further studies are still required to improve their instantaneous power load. PMID:24958292

Trap Depth Engineering of SrSi2O2N2:Ln2+,Ln3+ (Ln2+ = Yb, Eu; Ln3+ = Dy, Ho, Er) Persistent Luminescence Materials for Information Storage Applications.

PubMed

Zhuang, Yixi; Lv, Ying; Wang, Le; Chen, Wenwei; Zhou, Tian-Liang; Takeda, Takashi; Hirosaki, Naoto; Xie, Rong-Jun

2018-01-17

Deep-trap persistent luminescence materials exhibit unique properties of energy storage and controllable photon release under additional stimulation, allowing for both wavelength and intensity multiplexing to realize high-capacity storage in the next-generation information storage system. However, the lack of suitable persistent luminescence materials with deep traps is the bottleneck of such storage technologies. In this study, we successfully developed a series of novel deep-trap persistent luminescence materials in the Ln 2+ /Ln 3+ -doped SrSi 2 O 2 N 2 system (Ln 2+ = Yb, Eu; Ln 3+ = Dy, Ho, Er) by applying the strategy of trap depth engineering. Interestingly, the trap depth can be tailored by selecting different codopants, and it monotonically increases from 0.90 to 1.18 eV in the order of Er, Ho, and Dy. This is well explained by the energy levels indicated in the host-referred binding energy scheme. The orange-red-emitting SrSi 2 O 2 N 2 :Yb,Dy and green-emitting SrSi 2 O 2 N 2 :Eu,Dy phosphors are demonstrated to be good candidates of information storage materials, which are attributed to their deep traps, narrow thermoluminescence glow bands, high emission efficiency, and excellent chemical stability. This work not only validates the suitability of deep-trap persistent luminescence materials in the information storage applications, but also broadens the avenue to explore such kinds of new materials for applications in anticounterfeiting and advanced displays.

Robust binder-free anodes assembled with ultralong mischcrystal TiO2 nanowires and reduced graphene oxide for high-rate and long cycle life lithium-ion storage

NASA Astrophysics Data System (ADS)

Shi, Yongzheng; Yang, Dongzhi; Yu, Ruomeng; Liu, Yaxin; Hao, Shu-Meng; Zhang, Shiyi; Qu, Jin; Yu, Zhong-Zhen

2018-04-01

To satisfy increasing power demands of mobile devices and electric vehicles, rationally designed electrodes with short diffusion length are highly imperative to provide highly efficient ion and electron transport paths for high-rate and long-life lithium-ion batteries. Herein, binder-free electrodes with the robust three-dimensional conductive network are prepared by assembling ultralong TiO2 nanowires with reduced graphene oxide (RGO) sheets for high-performance lithium-ion storage. Ultralong TiO2 nanowires are synthesized and used to construct an interconnecting network that avoids the use of inert auxiliary additives of polymer binders and conductive agents. By thermal annealing, a small amount of anatase is generated in situ in the TiO2(B) nanowires to form abundant TiO2(B)/anatase interfaces for accommodating additional lithium ions. Simultaneously, RGO sheets efficiently enhance the electronic conductivity and enlarge the specific surface area of the TiO2/RGO nanocomposite. The robust 3D network in the binder-free electrode not only effectively avoids the agglomeration of TiO2/RGO components during the long-term charging/discharging process, but also provides direct and fast ion/electron transport paths. The binder-free electrode exhibits a high reversible capacity of 259.9 mA h g-1 at 0.1 C and an excellent cycling performance with a high reversible capacity of 111.9 mA h g-1 at 25 C after 5000 cycles.

γ-Fe 2 O 3 Nanocrystalline Microspheres with Hybrid Behavior of Battery-Supercapacitor for Superior Lithium Storage

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tian, Lei-Lei; Zhang, Ming-Jian; Wu, Chao

Maghemite (γ-Fe2O3) nanocrystalline microspheres (MNMs) self-assembled with 52 nm nanocrystals bridged with FeOOH around grain boundaries were formed by solvothermal reaction and thermal oxidation. The unique architecture endows the MNMs with the lithium storage behavior of a hybrid battery-supercapacitor electrode: initial charge capacity of 1060 mAh g–1 at the 100 mA g–1 rate, stable cyclic capacity of 1077.9 mAh g–1 at the same rate after 140 cycles, and rate capability of 538.8 mAh g–1 at 2400 mA g–1. This outstanding performance was attributed to the nanocrystal superiority, which shortens the Li+ diffusion paths. The mechanism of this hybrid anode materialmore » was investigated with experimental measurements and structural analysis. The results indicate that at the first discharge, the MNM nanocrystal microsphere, whose structure can buffer the volume change that occurs during lithiation/delithiation, goes through four stages: Li+ insertion in cation vacancies, spinel-to-rocksalt transformation, Li+ intercalation of Li1.75+xFe2O3 nanocrystals, and interfacial Li storage around nanocrystal boundaries. Only the latter two stages were reversible at and after the second charging/discharging cycle, exhibiting the hybrid behavior of a battery-supercapacitor with superior lithium storage.« less

Survival of Escherichia coli O157:H7 during manufacture and storage of white brined cheese.

PubMed

Osaili, Tareq M; Al-Nabulsi, Anas A; Olaimat, Amin N; Shaker, Reyad R; Taha, Mohammad; Holley, Richard A

2014-09-01

Escherichia coli O157:H7 is a major foodborne pathogen that causes severe disease in humans. Survival of E. coli O157:H7 during processing and storage of white brined cheese was investigated. Cheeses were prepared using pasteurized milk inoculated with a 4 strain E. coli O157:H7 cocktail (7 log(10) CFU/g) with or without yogurt starter culture (Lactobacillus delbrueckii ssp. bulgaricus and Streptococcus salivarius ssp. thermophilus) and stored in 10% or 15% NaCl brine at 10 and 21 ºC for 28 d. NaCl concentration, water activity (a(w)), pH, and numbers of E. coli O157:H7 and lactic acid bacteria (LAB) were determined in cheese and brine. E. coli O157:H7 was able to survive in cheese stored in both brines at 10 and 21 ºC regardless of the presence of starter LAB, although the latter significantly enhanced E. coli O157:H7 reduction in cheese or its brine at 10 ºC. E. coli O157:H7 numbers were reduced by 2.6 and 3.4 log(10) CFU/g in cheese stored in 10% and 15% NaCl brine, respectively, in the presence of starter LAB and by 1.4 and 2.3 log(10) CFU/g, respectively, in the absence of starter LAB at 10 ºC. The pathogen survived, but at lower numbers in the brines. The salt concentration of cheese stored in 10% brine remained about 5% during ripening, but in 15% brine, the NaCl level increased 1.6% to 8.1% (w/w) by 28 d. Values of pH and a(w) slightly decreased 1 d after exposure to brine and reached 5.5 to 6.6 and 0.88 to 0.94, respectively, in all treatments. © 2014 Institute of Food Technologists®

Ab initio studies on Al(+)(H(2)O)(n), HAlOH(+)(H(2)O)(n-1), and the size-dependent H(2) elimination reaction.

PubMed

Siu, Chi-Kit; Liu, Zhi-Feng; Tse, John S

2002-09-11

We report computational studies on Al(+)(H(2)O)(n), and HAlOH(+)(H(2)O)(n-1), n = 6-14, by the density functional theory based ab initio molecular dynamics method, employing a planewave basis set with pseudopotentials, and also by conventional methods with Gaussian basis sets. The mechanism for the intracluster H(2) elimination reaction is explored. First, a new size-dependent insertion reaction for the transformation of Al(+)(H(2)O)(n), into HAlOH(+)(H(2)O)(n-1) is discovered for n > or = 8. This is because of the presence of a fairly stable six-water-ring structure in Al(+)(H(2)O)(n) with 12 members, including the Al(+). This structure promotes acidic dissociation and, for n > or = 8, leads to the insertion reaction. Gaussian based BPW91 and MP2 calculations with 6-31G* and 6-31G** basis sets confirmed the existence of such structures and located the transition structures for the insertion reaction. The calculated transition barrier is 10.0 kcal/mol for n = 9 and 7.1 kcal/mol for n = 8 at the MP2/6-31G** level, with zero-point energy corrections. Second, the experimentally observed size-dependent H(2) elimination reaction is related to the conformation of HAlOH(+)(H(2)O)(n-1), instead of Al(+)(H(2)O)(n). As n increases from 6 to 14, the structure of the HAlOH(+)(H(2)O)(n-1) cluster changes into a caged structure, with the Al-H bond buried inside, and protons produced in acidic dissociation could then travel through the H(2)O network to the vicinity of the Al-H bond and react with the hydride H to produce H(2). The structural transformation is completed at n = 13, coincident approximately with the onset of the H(2) elimination reaction. From constrained ab initio MD simulations, we estimated the free energy barrier for the H(2) elimination reaction to be 0.7 eV (16 kcal/mol) at n = 13, 1.5 eV (35 kcal/mol) at n = 12, and 4.5 eV (100 kcal/mol) at n = 8. The existence of transition structures for the H(2) elimination has also been verified by ab initio calculations

Global root zone storage capacity from satellite-based evaporation data

NASA Astrophysics Data System (ADS)

Wang-Erlandsson, Lan; Bastiaanssen, Wim; Gao, Hongkai; Jägermeyr, Jonas; Senay, Gabriel; van Dijk, Albert; Guerschman, Juan; Keys, Patrick; Gordon, Line; Savenije, Hubert

2016-04-01

We present an "earth observation-based" method for estimating root zone storage capacity - a critical, yet uncertain parameter in hydrological and land surface modelling. By assuming that vegetation optimises its root zone storage capacity to bridge critical dry periods, we were able to use state-of-the-art satellite-based evaporation data computed with independent energy balance equations to derive gridded root zone storage capacity at global scale. This approach does not require soil or vegetation information, is model independent, and is in principle scale-independent. In contrast to traditional look-up table approaches, our method captures the variability in root zone storage capacity within land cover type, including in rainforests where direct measurements of root depth otherwise are scarce. Implementing the estimated root zone storage capacity in the global hydrological model STEAM improved evaporation simulation overall, and in particular during the least evaporating months in sub-humid to humid regions with moderate to high seasonality. We find that evergreen forests are able to create a large storage to buffer for extreme droughts (with a return period of up to 60 years), in contrast to short vegetation and crops (which seem to adapt to a drought return period of about 2 years). The presented method to estimate root zone storage capacity eliminates the need for soils and rooting depth information, which could be a game-changer in global land surface modelling.

Anomalous Li Storage Capability in Atomically Thin Two-Dimensional Sheets of Nonlayered MoO2.

PubMed

Xia, Chuan; Zhou, Yungang; Velusamy, Dhinesh Babu; Farah, Abdiaziz A; Li, Peng; Jiang, Qiu; Odeh, Ihab N; Wang, Zhiguo; Zhang, Xixiang; Alshareef, Husam N

2018-02-14

Since the first exfoliation and identification of graphene in 2004, research on layered ultrathin two-dimensional (2D) nanomaterials has achieved remarkable progress. Realizing the special importance of 2D geometry, we demonstrate that the controlled synthesis of nonlayered nanomaterials in 2D geometry can yield some unique properties that otherwise cannot be achieved in these nonlayered systems. Herein, we report a systematic study involving theoretical and experimental approaches to evaluate the Li-ion storage capability in 2D atomic sheets of nonlayered molybdenum dioxide (MoO 2 ). We develop a novel monomer-assisted reduction process to produce high quality 2D sheets of nonlayered MoO 2 . When used as lithium-ion battery (LIB) anodes, these ultrathin 2D-MoO 2 electrodes demonstrate extraordinary reversible capacity, as high as 1516 mAh g -1 after 100 cycles at the current rate of 100 mA g -1 and 489 mAh g -1 after 1050 cycles at 1000 mA g -1 . It is evident that these ultrathin 2D sheets did not follow the normal intercalation-cum-conversion mechanism when used as LIB anodes, which was observed for their bulk analogue. Our ex situ XPS and XRD studies reveal a Li-storage mechanism in these 2D-MoO 2 sheets consisting of an intercalation reaction and the formation of metallic Li phase. In addition, the 2D-MoO 2 based microsupercapacitors exhibit high areal capacitance (63.1 mF cm -2 at 0.1 mA cm -2 ), good rate performance (81% retention from 0.1 to 2 mA cm -2 ), and superior cycle stability (86% retention after 10,000 cycles). We believe that our work identifies a new pathway to make 2D nanostructures from nonlayered compounds, which results in an extremely enhanced energy storage capability.

In Situ Fabrication of Hierarchically Branched TiO2 Nanostructures: Enhanced Performance in Photocatalytic H2 Evolution and Li-Ion Batteries.

PubMed

Yang, Guorui; Wang, Ling; Peng, Shengjie; Wang, Jianan; Ji, Dongxiao; Yan, Wei; Ramakrishna, Seeram

2017-12-01

1D branched TiO 2 nanomaterials play a significant role in efficient photocatalysis and high-performance lithium ion batteries. In contrast to the typical methods which generally have to employ epitaxial growth, the direct in situ growth of hierarchically branched TiO 2 nanofibers by a combination of the electrospinning technique and the alkali-hydrothermal process is presented in this work. Such the branched nanofibers exhibit improvement in terms of photocatalytic hydrogen evolution (0.41 mmol g -1 h -1 ), in comparison to the conventional TiO 2 nanofibers (0.11 mmol g -1 h -1 ) and P25 (0.082 mmol g -1 h -1 ). Furthermore, these nanofibers also deliver higher lithium specific capacity at different current densities, and the specific capacity at the rate of 2 C is as high as 201. 0 mAh g -1 , roughly two times higher than that of the pristine TiO 2 nanofibers. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Kinetic measurement and prediction of the hydrogen outgassing from the polycrystalline LiH/Li 2O/LiOH system

NASA Astrophysics Data System (ADS)

Dinh, L. N.; Grant, D. M.; Schildbach, M. A.; Smith, R. A.; Siekhaus, W. J.; Balazs, B.; Leckey, J. H.; Kirkpatrick, J. R.; McLean, W.

2005-12-01

Due to the exothermic reaction of lithium hydride (LiH) salt with water during transportation and handling, there is always a thin film of lithium hydroxide (LiOH) present on the LiH surface. In dry or vacuum storage, this thin LiOH film slowly decomposes. The technique of temperature-programmed reaction/decomposition (TPR) was employed in combination with the isoconversion method of thermal analysis to determine the outgassing kinetics of H 2O from pure LiOH and H 2 and H 2O from this thin LiOH film. H 2 production via the reaction of LiH with LiOH, forming a lithium oxide (Li 2O) interlayer, is thermodynamically favored, with the rate of further reaction limited by diffusion through the Li 2O and the stability of the decomposing LiOH. Lithium hydroxide at the LiOH/vacuum interface also decomposes easily to Li 2O, releasing H 2O which subsequently reacts with LiH in a closed system to form H 2. At the onset of dry decomposition, where H 2 is the predominant product, the activation energy for outgassing from a thin LiOH film is lower than that for bulk LiOH. However, as the reactions at the LiH/Li 2O/LiOH and at the LiOH/vacuum interfaces proceed, the overall activation energy barrier for the outgassing approaches that of bulk LiOH decomposition. The kinetics developed here predict a hydrogen evolution profile in good agreement with hydrogen release observed during long term isothermal storage.

Synthesis and characterization of sodium vanadium oxide gels: the effects of water (n) and sodium (x) content on the electrochemistry of Na(x)V2O5·nH2O.

PubMed

Lee, Chia-Ying; Marschilok, Amy C; Subramanian, Aditya; Takeuchi, Kenneth J; Takeuchi, Esther S

2011-10-28

Sodium vanadium oxide gels, Na(x)V(2)O(5)·nH(2)O, of varying sodium content (0.12 < x < 0.32) were prepared by careful control of an ion exchange process. The water content (0.23 > n > 0.01) and interlayer spacing were found to be inversely proportional to the sodium level (x), thus control of sodium (x) content provided a direct, chimie douce approach for control of hydration level (n) and interlayer spacing, without the need for high temperature treatment to affect dehydration. Notably, the use of high temperatures to modify hydration levels can result in crystallization and collapse of the interlayer structure, highlighting the distinct advantage of our novel chimie douce synthesis strategy. Subsequent to synthesis and characterization, results from an electrochemical study of a series of Na(x)V(2)O(5)·nH(2)O samples highlight the significant impact of interlayer water on delivered capacity of the layered materials. Specifically, the sodium vanadium oxide gels with higher sodium content and lower water content provided higher capacities in lithium based cells, where capacity delivered to 2.0 V under C/20 discharge ranged from 170 mAh/g for Na(0.12)V(2)O(5)·0.23H(2)O to 300 mAh/g for Na(0.32)V(2)O(5)·0.01H(2)O. The capacity differences were maintained as the cells were cycled. This journal is © the Owner Societies 2011

[Mechanism and performance of styrene oxidation by O3/H2O2].

PubMed

He, Jue-Cong; Huang, Qian-Ru; Ye, Qi-Hong; Luo, Yu-Wei; Zhang, Zai-Li; Fan, Qing-Juan; Wei, Zai-Shan

2013-10-01

It can produce a large number of free radicals in O3/H2O2, system, ozone and free radical coupling oxidation can improve the styrene removal efficiency. Styrene oxidation by O3/H2O2 was investigated. Ozone dosage, residence time, H2o2 volume fraction, spray density and molar ratio of O3/C8H8 on styrene removal were evaluated. The experimental results showed that styrene removal efficiency achieved 85.7%. The optimal residence time, H2O2, volume fraction, spray density and O3/C8H8 molar ratio were 20. 6 s, 10% , 1.72 m3.(m2.h)-1 and 0.46, respectively. The gas-phase degradation intermediate products were benzaldehyde(C6H5CHO) and benzoic acid (C6H5 COOH) , which were identified by means of gas chromatography-mass spectrometry(GC-MS). The degradation mechanism of styrene is presented.