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1. Metal (boro-) hydrides for high energy density storage and relevant emerging technologies

Author

Bannenberg, L. J., Heere, M., Benzidi, H., Montero, J., Dematteis, E. M., Suwarno, S., Jaroń, T., Winny, M., Orłowski, P. A., Wegner, W., Starobrat, A., Fijałkowski, K. J., Grochala, W., Qian, Z., Bonnet, J. -P., Nuta, I., Lohstroh, W., Zlotea, C., Mounkachi, O., Cuevas, F., Chatillon, C., Latroche, M., Fichtner, M., Baricco, M., Hauback, B. C., and Kharbachi, A. El

Subjects
Condensed Matter - Materials Science
Abstract

The current energy transition imposes a rapid implementation of energy storage systems with high energy density and eminent regeneration and cycling efficiency. Metal hydrides are potential candidates for generalized energy storage, when coupled with fuel cell units and/or batteries. An overview of ongoing research is reported and discussed in this review work on the light of application as hydrogen and heat storage matrices, as well as thin films for hydrogen optical sensors. These include a selection of single-metal hydrides, Ti-V(Fe) based intermetallics, multi-principal element alloys (high-entropy alloys), and a series of novel synthetically accessible metal borohydrides. Metal hydride materials can be as well of important usefulness for MH-based electrodes with high capacity (e.g. MgH2 ~ 2000 mAh g-1) and solid-state electrolytes displaying high ionic conductivity suitable, respectively, for Li-ion and Li/Mg battery technologies. To boost further research and development directions some characterization techniques dedicated to the study of M-H interactions, their equilibrium reactions, and additional quantification of hydrogen concentration in thin film and bulk hydrides are presented at the end of this manuscript.

Published
2020
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2. Direct observation of the magnetic proximity effect in amorphous exchange-spring magnets by neutron reflectometry

Author

Qviller, A. J., Magnus, F., Kirby, B. J., Hjörvarsson, B., Frommen, C., and Hauback, B. C.

Subjects
Condensed Matter - Materials Science
Abstract

In this letter we report a direct observation of a magnetic proximity effect in an amorphous thin film exchange-spring magnet by the use of neutron reflectometry. The exchange-spring magnet is a trilayer consisting of two ferromagnetic layers with high $T_c$'s separated by a ferromagnetic layer, which is engineered to have a significantly lower $T_c$ than the embedding layers. This enables us to measure magnetization depth profiles at which the low $T_c$ material is in a ferromagnetic or paramagnetic state, while the embedding layers are ferromagnetic. A clear proximity effect is observed 7 K above the $T_c$ of the embedded layer, with a range extending 50 $\unicode{xC5}$., Comment: 5 pages, 3 figures

Published
2018
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3. Hydrogen Concentration in Photovoltaic a-Si:H Annealed at Different Temperatures Measured by Neutron Reflectometry

Author

Qviller, A. J., Marstein, E. S., You, C. C., Haug, H., Webster, J. R. P., Hjörvarsson, B., Frommen, C., and Hauback, B. C.

Subjects
Condensed Matter - Materials Science
Abstract

Amorphous hydrogenated silicon (a-Si:H) is an important material for surface defect passivation of photovoltaic silicon (Si) wafers in order to reduce their recombination losses. The material is however unstable with regards to hydrogen (H) desorption at elevated temperatures, which can be an issue during processing and device manufacturing. In this work we determine the temperature stability of a-Si:H by structural characterization of a-Si:H/Si bilayers with neutron- (NR) and X-ray reflectometry (XRR) combined with photoconductance measurements yielding the minority carrer lifetime. The neutrons are sensitive to light elements such as H, while the X-rays which are insensitive to the H-concentration, provide an independent constraint on the layer structure. It is shown that H-desorption takes place at a temperature of approximately T = $425\,^{\circ}\mathrm{C}$ and that hydrogen content and minority carrier lifetimes have a strongly correlated linear relationship, which can be interpreted as one hydrogen atom passivating one defect., Comment: 4 pages, 5 figures, accepted for publication in IEEE Journal of Photovoltaics in 2018

Published
2018
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4. Synthesis of photochromic oxygen-containing yttrium hydride

Author

Montero, J., Martinsen, F. A., Lelis, M., Karazhanov, S. Zh., Hauback, B. C., and Marstein, E. S.

Subjects
Condensed Matter - Materials Science
Abstract

Photochromic oxygen-containing yttrium hydride has been synthesized using a two step process. The process consists of an initial sputter deposition of oxygen-free yttrium hydride YH$_\mathrm{x}$, followed by a controlled reaction with air that causes incorporation of oxygen into the material. An in-situ study of the YH$_\mathrm{x}$ as it reacted with oxygen was made possible by applying an aluminium capping layer with a low but non-zero oxygen permeability prior to air exposure. During the reaction, the visual appearance of the YH$_\mathrm{x}$ went from dark and opaque to transparent and yellowish. This transition was accredited incorporation of oxygen into the material, as shown through analysis with energy dispersive x-ray spectroscopy (EDS) and x-ray photoemission spectroscopy (XPS). Grazing incidence x-ray diffraction (GIXRD) studies revealed an fcc structure both before and after oxygen exposure, with a lattice parameter that increased from 5.2 {\AA} to 5.4 {\AA} during the reaction. With the lattice parameter in the oxygen free YH$_\mathrm{x}$ being equal to that reported earlier for YH$_\mathrm{2}$, our findings suggest that the non-reacted YH$_\mathrm{x}$ in this study is in-fact YH$_\mathrm{2}$.

Published
2016
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5. New insights into the photochromic mechanism in oxygen-containing yttrium hydride thin films: an optical perspective

Author

Montero, J., Martinsen, F. A., Karazhanov, S. Zh., Hauback, B. C., and Marstein, E. S.

Subjects
Condensed Matter - Materials Science
Abstract

Oxygen-containing yttrium hydride thin films exhibit a photochromic behavior: transparent thin films switch from a transparent state to a photodarkened state after being illuminated with UV or blue light. This feature has attracted much attention in recent years due to its potential applications in smart fenestration or in any device in which a response to intense light radiation is needed. However, the process responsible for the reversible change of the optical properties upon illumination is still not well understood. The objective of the present work is to shed some light on the photochromic mechanism by using an optical approach. On this basis, the optical properties of oxygen-containing yttrium hydride thin films have been studied by optical spectrophotometry and ellipsometry before (transparent state) and after UV illumination (dark state). According to the observed results, the photochromic optical change of the films can be explained quantitatively by the gradual growth, under illumination, of metallic phases within the initial wide-band gap semiconducting lattice., Comment: 5 pages 5 figures

Published
2016
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6. The dielectric functions and optical band gaps of thin films of amorphous and cubic crystalline Mg~2NiH~4

Author

Selj, J. H., Mongstad, T., Hauback, B., and Karazhanov, S.

Subjects
Condensed Matter - Materials Science
Abstract

Magnesium nickel hydride films have earlier been suggested for several optoelectronic applications, but the optical properties and band gap have not been firmly established. In this work, the dielectric functions and the optical band gaps of thin films of Mg2NiH4 have been determined experimentally from optical modeling using spectroscopic ellipsometry and spectrophotometry in the photon energy range between 0.7 and 4.2 eV. Samples were prepared by reactive sputtering, resulting in a single-layer geometry that could easily be studied by ellipsometry. Crystalline samples were prepared by annealing the amorphous films ex-situ. The resulting films remained in the high temperature cubic Mg2NiH4 structure even after cooling to room temperature. Tauc analysis of the dielectric function shows that Mg2NiH4 exhibits a band gap of 1.6 eV for amorphous structure films and 2.1 eV for its cubic crystalline structure.

Published
2012
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7. Transparent yttrium hydride thin films prepared by reactive sputtering

Author

Mongstad, T., Platzer-Björkman, C., Karazhanov, S. Zh., Holt, A., Maehlen, J. P., and Hauback, B. C.

Subjects
Condensed Matter - Materials Science
Abstract

Metal hydrides have earlier been suggested for utilization in solar cells. With this as a motivation we have prepared thin films of yttrium hydride by reactive magnetron sputter deposition. The resulting films are metallic for low partial pressure of hydrogen during the deposition, and black or yellow-transparent for higher partial pressure of hydrogen. Both metallic and semiconducting transparent YHx films have been prepared directly in-situ without the need of capping layers and post-deposition hydrogenation. Optically the films are similar to what is found for YHx films prepared by other techniques, but the crystal structure of the transparent films differ from the well-known YH3 phase, as they have an fcc lattice instead of hcp.

Published
2011
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8. Antiferromagnetic vs ferromagnetic interactions and spin-glass-like behavior in ruthenates

Author

Ravindran, P., Vidya, R., Vajeeston, P., Kjekshus, A., Fjellvaag, H., and Hauback, B. C.

Subjects
Condensed Matter - Materials Science
Abstract

We have made a series of gradient-corrected relativistic full-potential density-functional calculation for Ca-substituted and hole-doped SrRuO$_3$ in para, ferro, and $A$-, $C$-, and $G$-type antiferromagnetic states. Magnetic phase-diagram data for Sr$_{1-x}$Ca$_x$RuO$_3$ at 0 K are presented. Neutron diffraction measurement combined with total energy calculations show that spin-glass behavior with short-range antiferromagnetic interactions rules in CaRuO$_3$. The substitution of Sr by Ca in SrRuO$_3$ decreases the ferromagnetic interaction and enhances the $G$-type antiferromagnetic interaction; the $G$-AF state is found to stabilize around $x$ = 0.75 consistent with experimental observations. Inclusion of spin-orbit coupling is found to be important in order to arrive at the correct magnetic ground state in ruthenates., Comment: 5 pages, 3 figures. Solid state communications (in press)

Published
2002
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9. Magnetic transitions in V-Fe-Co-Ni-Cu-based high entropy alloys

Author

Eggert, B. G. F., Delczeg-Czirjak, Erna Krisztina, Hauback, B. C., Frommen, C., Eggert, B. G. F., Delczeg-Czirjak, Erna Krisztina, Hauback, B. C., and Frommen, C.

Abstract

FeCoNi, V0.85FeCoNi, FeCoNiCu1.15 and V0.85FeCoNiCu1.15 alloys have been synthesized by arc melting and analyzed by powder X-ray diffraction, electron microscopy, magnetic measurements, and density functional theory (DFT). The influence of each alloying element on the magnetic exchange interaction, Curie temperature (TC) and magnetocaloric effect is evaluated. The experimental results show that Cu and V "dilute" the magnetic properties and couple antiferromagnetically to Fe, Co, and Ni. Analysis of the microstructure reveals a lack of solubility between V and Cu with FeCoNi, and between themselves, thus lowering the concentration of V and Cu in the main solid solution of the 5-element alloy V0.85FeCoNiCu1.15. Tc decreases significantly from 997 K in FeCoNi to 245 K in V0.85FeCoNi and 297 K in V0.85FeCoNiCu1.15, respectively. The derivative of magnetization as a function of temperature (dM/dT) in the vicinity of Tc is drastically reduced due to the presence of V which indicates a reduced magnetocaloric effect. DFT calculations confirm antiferromagnetic coupling of V to the ferromagnetic FeCoNi-base and predict a similar behavior for other transition metal elements (e.g., Ti, Cr, Mn). This leads to a lowering of Tc, which is needed to establish the magnetocaloric effect at room temperature. However, it comes at a cost of reduced magnetic moments. Nevertheless, the use of V and Cu has shown possible routes for tuning the magnetocaloric effect in FeCoNi-based high entropy alloys.

Published
2023
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12. The instrument suite of the European Spallation Source

Author

Andersen, K, Argyriou, D, Jackson, A, Houston, J, Henry, P, Deen, P, Toft-Petersen, R, Beran, P, Strobl, M, Arnold, T, Wacklin-Knecht, H, Tsapatsaris, N, Oksanen, E, Woracek, R, Schweika, W, Mannix, D, Hiess, A, Kennedy, S, Kirstein, O, Petersson Arskold, S, Taylor, J, Hagen, M, Laszlo, G, Kanaki, K, Piscitelli, F, Khaplanov, A, Stefanescu, I, Kittelmann, T, Pfeiffer, D, Hall-Wilton, R, Lopez, C, Aprigliano, G, Whitelegg, L, Moreira, F, Olsson, M, Bordallo, H, Martin-Rodriguez, D, Schneider, H, Sharp, M, Hartl, M, Nagy, G, Ansell, S, Pullen, S, Vickery, A, Fedrigo, A, Mezei, F, Arai, M, Heenan, R, Halcrow, W, Turner, D, Raspino, D, Orszulik, A, Cooper, J, Webb, N, Galsworthy, P, Nightingale, J, Langridge, S, Elmer, J, Frielinghaus, H, Hanslik, R, Gussen, A, Jaksch, S, Engels, R, Kozielewski, T, Butterweck, S, Feygenson, M, Harbott, P, Poque, A, Schwaab, A, Lieutenant, K, Violini, N, Voigt, J, Bruckel, T, Koenen, M, Kammerling, H, Babcock, E, Salhi, Z, Wischnewski, A, Heynen, A, Desert, S, Jestin, J, Porcher, F, Fabreges, X, Fabreges, G, Annighofer, B, Klimko, S, Dupont, T, Robillard, T, Goukassov, A, Longeville, S, Alba-Simionesco, C, Bourges, P, Guyon Le Bouffy, J, Lavie, P, Rodrigues, S, Calzada, E, Lerche, M, Schillinger, B, Schmakat, P, Schulz, M, Seifert, M, Lohstroh, W, Petry, W, Neuhaus, J, Loaiza, L, Tartaglione, A, Glavic, A, Schutz, S, Stahn, J, Lehmann, E, Morgano, M, Schefer, J, Filges, U, Klauser, C, Niedermayer, C, Fenske, J, Nowak, G, Rouijaa, M, Siemers, D, Kiehn, R, Muller, M, Carlsen, H, Udby, L, Lefmann, K, Birk, J, Holm-Dahlin, S, Bertelsen, M, Hansen, U, Olsen, M, Christensen, M, Iversen, K, Christensen, N, Ronnow, H, Freeman, P, Hauback, B, Kolevatov, R, Llamas-Jansa, I, Orecchini, A, Sacchetti, F, Petrillo, C, Paciaroni, A, Tozzi, P, Zanatta, M, Luna, P, Herranz, I, del Moral, O, Huerta, M, Magan, M, Mosconi, M, Abad, E, Aguilar, J, Stepanyan, S, Bakedano, G, Vivanco, R, Bustinduy, I, Sordo, F, Martinez, J, Lechner, R, Villacorta, F, Saroun, J, Lukas, P, Marko, M, Zanetti, M, Bellissima, S, del Rosso, L, Masi, F, Bovo, C, Chowdhury, M, De Bonis, A, Di Fresco, L, Scatigno, C, Parker, S, Fernandez-Alonso, F, Colognesi, D, Senesi, R, Andreani, C, Gorini, G, Scionti, G, Schreyer, A, Andersen K. H., Argyriou D. N., Jackson A. J., Houston J., Henry P. F., Deen P. P., Toft-Petersen R., Beran P., Strobl M., Arnold T., Wacklin-Knecht H., Tsapatsaris N., Oksanen E., Woracek R., Schweika W., Mannix D., Hiess A., Kennedy S., Kirstein O., Petersson Arskold S., Taylor J., Hagen M. E., Laszlo G., Kanaki K., Piscitelli F., Khaplanov A., Stefanescu I., Kittelmann T., Pfeiffer D., Hall-Wilton R., Lopez C. I., Aprigliano G., Whitelegg L., Moreira F. Y., Olsson M., Bordallo H. N., Martin-Rodriguez D., Schneider H., Sharp M., Hartl M., Nagy G., Ansell S., Pullen S., Vickery A., Fedrigo A., Mezei F., Arai M., Heenan R. K., Halcrow W., Turner D., Raspino D., Orszulik A., Cooper J., Webb N., Galsworthy P., Nightingale J., Langridge S., Elmer J., Frielinghaus H., Hanslik R., Gussen A., Jaksch S., Engels R., Kozielewski T., Butterweck S., Feygenson M., Harbott P., Poque A., Schwaab A., Lieutenant K., Violini N., Voigt J., Bruckel T., Koenen M., Kammerling H., Babcock E., Salhi Z., Wischnewski A., Heynen A., Desert S., Jestin J., Porcher F., Fabreges X., Fabreges G., Annighofer B., Klimko S., Dupont T., Robillard T., Goukassov A., Longeville S., Alba-Simionesco C., Bourges P., Guyon Le Bouffy J., Lavie P., Rodrigues S., Calzada E., Lerche M., Schillinger B., Schmakat P., Schulz M., Seifert M., Lohstroh W., Petry W., Neuhaus J., Loaiza L., Tartaglione A., Glavic A., Schutz S., Stahn J., Lehmann E., Morgano M., Schefer J., Filges U., Klauser C., Niedermayer C., Fenske J., Nowak G., Rouijaa M., Siemers D. J., Kiehn R., Muller M., Carlsen H., Udby L., Lefmann K., Birk J. O., Holm-Dahlin S., Bertelsen M., Hansen U. B., Olsen M. A., Christensen M., Iversen K., Christensen N. B., Ronnow H. M., Freeman P. G., Hauback B. C., Kolevatov R., Llamas-Jansa I., Orecchini A., Sacchetti F., Petrillo C., Paciaroni A., Tozzi P., Zanatta M., Luna P., Herranz I., del Moral O. G., Huerta M., Magan M., Mosconi M., Abad E., Aguilar J., Stepanyan S., Bakedano G., Vivanco R., Bustinduy I., Sordo F., Martinez J. L., Lechner R. E., Villacorta F. J., Saroun J., Lukas P., Marko M., Zanetti M., Bellissima S., del Rosso L., Masi F., Bovo C., Chowdhury M., De Bonis A., Di Fresco L., Scatigno C., Parker S. F., Fernandez-Alonso F., Colognesi D., Senesi R., Andreani C., Gorini G., Scionti G., Schreyer A., Andersen, K, Argyriou, D, Jackson, A, Houston, J, Henry, P, Deen, P, Toft-Petersen, R, Beran, P, Strobl, M, Arnold, T, Wacklin-Knecht, H, Tsapatsaris, N, Oksanen, E, Woracek, R, Schweika, W, Mannix, D, Hiess, A, Kennedy, S, Kirstein, O, Petersson Arskold, S, Taylor, J, Hagen, M, Laszlo, G, Kanaki, K, Piscitelli, F, Khaplanov, A, Stefanescu, I, Kittelmann, T, Pfeiffer, D, Hall-Wilton, R, Lopez, C, Aprigliano, G, Whitelegg, L, Moreira, F, Olsson, M, Bordallo, H, Martin-Rodriguez, D, Schneider, H, Sharp, M, Hartl, M, Nagy, G, Ansell, S, Pullen, S, Vickery, A, Fedrigo, A, Mezei, F, Arai, M, Heenan, R, Halcrow, W, Turner, D, Raspino, D, Orszulik, A, Cooper, J, Webb, N, Galsworthy, P, Nightingale, J, Langridge, S, Elmer, J, Frielinghaus, H, Hanslik, R, Gussen, A, Jaksch, S, Engels, R, Kozielewski, T, Butterweck, S, Feygenson, M, Harbott, P, Poque, A, Schwaab, A, Lieutenant, K, Violini, N, Voigt, J, Bruckel, T, Koenen, M, Kammerling, H, Babcock, E, Salhi, Z, Wischnewski, A, Heynen, A, Desert, S, Jestin, J, Porcher, F, Fabreges, X, Fabreges, G, Annighofer, B, Klimko, S, Dupont, T, Robillard, T, Goukassov, A, Longeville, S, Alba-Simionesco, C, Bourges, P, Guyon Le Bouffy, J, Lavie, P, Rodrigues, S, Calzada, E, Lerche, M, Schillinger, B, Schmakat, P, Schulz, M, Seifert, M, Lohstroh, W, Petry, W, Neuhaus, J, Loaiza, L, Tartaglione, A, Glavic, A, Schutz, S, Stahn, J, Lehmann, E, Morgano, M, Schefer, J, Filges, U, Klauser, C, Niedermayer, C, Fenske, J, Nowak, G, Rouijaa, M, Siemers, D, Kiehn, R, Muller, M, Carlsen, H, Udby, L, Lefmann, K, Birk, J, Holm-Dahlin, S, Bertelsen, M, Hansen, U, Olsen, M, Christensen, M, Iversen, K, Christensen, N, Ronnow, H, Freeman, P, Hauback, B, Kolevatov, R, Llamas-Jansa, I, Orecchini, A, Sacchetti, F, Petrillo, C, Paciaroni, A, Tozzi, P, Zanatta, M, Luna, P, Herranz, I, del Moral, O, Huerta, M, Magan, M, Mosconi, M, Abad, E, Aguilar, J, Stepanyan, S, Bakedano, G, Vivanco, R, Bustinduy, I, Sordo, F, Martinez, J, Lechner, R, Villacorta, F, Saroun, J, Lukas, P, Marko, M, Zanetti, M, Bellissima, S, del Rosso, L, Masi, F, Bovo, C, Chowdhury, M, De Bonis, A, Di Fresco, L, Scatigno, C, Parker, S, Fernandez-Alonso, F, Colognesi, D, Senesi, R, Andreani, C, Gorini, G, Scionti, G, Schreyer, A, Andersen K. H., Argyriou D. N., Jackson A. J., Houston J., Henry P. F., Deen P. P., Toft-Petersen R., Beran P., Strobl M., Arnold T., Wacklin-Knecht H., Tsapatsaris N., Oksanen E., Woracek R., Schweika W., Mannix D., Hiess A., Kennedy S., Kirstein O., Petersson Arskold S., Taylor J., Hagen M. E., Laszlo G., Kanaki K., Piscitelli F., Khaplanov A., Stefanescu I., Kittelmann T., Pfeiffer D., Hall-Wilton R., Lopez C. I., Aprigliano G., Whitelegg L., Moreira F. Y., Olsson M., Bordallo H. N., Martin-Rodriguez D., Schneider H., Sharp M., Hartl M., Nagy G., Ansell S., Pullen S., Vickery A., Fedrigo A., Mezei F., Arai M., Heenan R. K., Halcrow W., Turner D., Raspino D., Orszulik A., Cooper J., Webb N., Galsworthy P., Nightingale J., Langridge S., Elmer J., Frielinghaus H., Hanslik R., Gussen A., Jaksch S., Engels R., Kozielewski T., Butterweck S., Feygenson M., Harbott P., Poque A., Schwaab A., Lieutenant K., Violini N., Voigt J., Bruckel T., Koenen M., Kammerling H., Babcock E., Salhi Z., Wischnewski A., Heynen A., Desert S., Jestin J., Porcher F., Fabreges X., Fabreges G., Annighofer B., Klimko S., Dupont T., Robillard T., Goukassov A., Longeville S., Alba-Simionesco C., Bourges P., Guyon Le Bouffy J., Lavie P., Rodrigues S., Calzada E., Lerche M., Schillinger B., Schmakat P., Schulz M., Seifert M., Lohstroh W., Petry W., Neuhaus J., Loaiza L., Tartaglione A., Glavic A., Schutz S., Stahn J., Lehmann E., Morgano M., Schefer J., Filges U., Klauser C., Niedermayer C., Fenske J., Nowak G., Rouijaa M., Siemers D. J., Kiehn R., Muller M., Carlsen H., Udby L., Lefmann K., Birk J. O., Holm-Dahlin S., Bertelsen M., Hansen U. B., Olsen M. A., Christensen M., Iversen K., Christensen N. B., Ronnow H. M., Freeman P. G., Hauback B. C., Kolevatov R., Llamas-Jansa I., Orecchini A., Sacchetti F., Petrillo C., Paciaroni A., Tozzi P., Zanatta M., Luna P., Herranz I., del Moral O. G., Huerta M., Magan M., Mosconi M., Abad E., Aguilar J., Stepanyan S., Bakedano G., Vivanco R., Bustinduy I., Sordo F., Martinez J. L., Lechner R. E., Villacorta F. J., Saroun J., Lukas P., Marko M., Zanetti M., Bellissima S., del Rosso L., Masi F., Bovo C., Chowdhury M., De Bonis A., Di Fresco L., Scatigno C., Parker S. F., Fernandez-Alonso F., Colognesi D., Senesi R., Andreani C., Gorini G., Scionti G., and Schreyer A.

Abstract

An overview is provided of the 15 neutron beam instruments making up the initial instrument suite of the European Spallation Source (ESS), and being made available to the neutron user community. The ESS neutron source consists of a high-power accelerator and target station, providing a unique long-pulse time structure of slow neutrons. The design considerations behind the time structure, moderator geometry and instrument layout are presented. The 15-instrument suite consists of two small-angle instruments, two reflectometers, an imaging beamline, two single-crystal diffractometers; one for macromolecular crystallography and one for magnetism, two powder diffractometers, and an engineering diffractometer, as well as an array of five inelastic instruments comprising two chopper spectrometers, an inverse-geometry single-crystal excitations spectrometer, an instrument for vibrational spectroscopy and a high-resolution backscattering spectrometer. The conceptual design, performance and scientific drivers of each of these instruments are described. All of the instruments are designed to provide breakthrough new scientific capability, not currently available at existing facilities, building on the inherent strengths of the ESS long-pulse neutron source of high flux, flexible resolution and large bandwidth. Each of them is predicted to provide world-leading performance at an accelerator power of 2 MW. This technical capability translates into a very broad range of scientific capabilities. The composition of the instrument suite has been chosen to maximise the breadth and depth of the scientific impact of the early years of the ESS, and provide a solid base for completion and further expansion of the facility.

Published
2020

16. Metal Hydrides and Related Materials. Energy Carriers for Novel Hydrogen and Electrochemical Storage

Author

El Kharbachi, A., primary, Dematteis, E. M., additional, Shinzato, K., additional, Stevenson, S. C., additional, Bannenberg, L. J., additional, Heere, M., additional, Zlotea, C., additional, Szilágyi, P. Á., additional, Bonnet, J.-P., additional, Grochala, W., additional, Gregory, D. H., additional, Ichikawa, T., additional, Baricco, M., additional, and Hauback, B. C., additional

Published
2020
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18. Direct observation of magnetic proximity effects in amorphous exchange-spring magnets by neutron reflectometry

Author

Qviller, A. J., Frommen, C., Hauback, B. C., Magnus, Friðrik, Kirby, B. J., Hjörvarsson, Björgvin, Qviller, A. J., Frommen, C., Hauback, B. C., Magnus, Friðrik, Kirby, B. J., and Hjörvarsson, Björgvin

Abstract

In this paper, we report a direct observation of a magnetic proximity effect in an amorphous thin-film exchange-spring magnet by the use of neutron reflectometry. The exchange-spring magnet is a trilayer consisting of two ferromagnetic layers with high T-c separated by a ferromagnetic layer, which is engineered to have a significantly lower T-c than the embedding layers. This enables us to measure magnetization depth profiles at which the low-T-c material is in a ferromagnetic or paramagnetic state, while the embedding layers are ferromagnetic. A clear proximity effect is observed 7 K above the intrinsic T-c of the embedded layer, with a range extending 50 angstrom.

Published
2020
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19. The instrument suite of the European Spallation Source

Author

Swedish Research Council, Centre National de la Recherche Scientifique (France), Science and Technology Facilities Council (UK), European Commission, Andersen, K. H., Argyriou, D. N., Jackson, A. J., Houston, J., Henry, P. F., Deen, P. P., Toft-Petersen, R., Beran, P., Strobl, M., Arnold, T., Wacklin-Knecht, H., Tsapatsaris, N., Morgano, M., Schefer, J., Filges, U., Klauser, Ch., Niedermayer, Ch., Fenske, J., Nowak, G., Rouijaa, M., Siemers, D. J., Hagen, M. E., Kiehn, R., Oksanen, E., Müller, M., Carlsen, H., Udby, L., Lefmann, K., Birk, J. O., Holm-Dahlin, S., Bertelsen, M., Bengaard Hansen, U., Laszlo, G., Olsen, M. A., Christensen, M., Woracek, R., Iversen, K., Christensen, N. B., Rønnow, H. M., Freeman, P. G., Hauback, B. C., Kolevatov, R., Llamas-Jansa, I., Kanaki, K., Orecchini, A., Sacchetti, F., Petrillo, C., Schweika, W., Paciaroni, A., Tozzi, P., Zanatta, M., Luna, P., Herranz, I., Moral, O. G. del, Piscitelli, F., Huerta, M., Magán, M., Mosconi, M., Abad, E., Mannix, D., Aguilar, J., Stepanyan, S., Bakedano, G., Vivanco, R., Bustinduy, I., Khaplanov, A., Sordo, F., Martínez, J. L., Lechner, R. E., Villacorta, F. J., Šaroun, J., Hiess, A., Lukáš, P., Markó, M., Zanetti, M., Bellissima, S., Stefanescu, I., Rosso, L. del, Masi, F., Bovo, C., Chowdhury, M., De Bonis, A., Di Fresco, L., Kennedy, S., Scatigno, C., Parker, S. F., Fernández-Alonso, Félix, Kittelmann, Th., Colognesi, D., Senesi, R., Andreani, C., Gorini, G., Sciont, G., Schreyer, A., Kirstein, O., Petersson Årsköld, S., Taylor, J., Pfeiffer, D., Hall-Wilton, R., Lopez, C. I., Seifert, M., Aprigliano, G., Whitelegg, L., Moreira, F. Y., Olsson, M., Bordallo, Heloisa N., Martín-Rodríguez, D., Schneider, H., Sharp, M., Hartl, M., Nagy, G., Lohstroh, W., Ansell, S., Pullen, S., Vickery, A., Fedrigo, A., Mezei, F., Arai, M., Heenan, R. K., Halcrow, W., Turner, D., Raspino, D., Petry, W., Orszulik, A., Cooper, J., Webb, N., Galsworthy, P., Nightingale, J., Langridge, S., Elmer, J., Frielinghaus, H., Hanslik, R., Gussen, A., Neuhaus, J., Jaksch, S., Engels, R., Kozielewski, T., Butterweck, S., Feygenson, M., Harbott, P., Poqué, A., Schwaab, A., Lieutenant, K., Violini, N., Loaiza, L., Voigt, J., Brückel, Thomas, Koenen, M., Kämmerling, H., Babcock, E., Salhi, Z., Wischnewski, A., Heynen, A., Désert, S., Jestin, J., Tartaglione, A., Porcher, F., Fabrèges, X., Fabrèges, G., Annighöfer, B., Klimko, S., Dupont, Th., Robillard, Th., Goukassov, A., Longeville, S., Alba-Simionesco, Ch., Glavic, Artur G., Bourges, Ph., Guyon Le Bouffy, J., Lavie, P., Rodrigues, S., Calzada, E., Lerche, M., Schillinger, B., Schmakat, Ph., Schulz, M., Schütz, S., Stahn, J., Lehmann, E., Swedish Research Council, Centre National de la Recherche Scientifique (France), Science and Technology Facilities Council (UK), European Commission, Andersen, K. H., Argyriou, D. N., Jackson, A. J., Houston, J., Henry, P. F., Deen, P. P., Toft-Petersen, R., Beran, P., Strobl, M., Arnold, T., Wacklin-Knecht, H., Tsapatsaris, N., Morgano, M., Schefer, J., Filges, U., Klauser, Ch., Niedermayer, Ch., Fenske, J., Nowak, G., Rouijaa, M., Siemers, D. J., Hagen, M. E., Kiehn, R., Oksanen, E., Müller, M., Carlsen, H., Udby, L., Lefmann, K., Birk, J. O., Holm-Dahlin, S., Bertelsen, M., Bengaard Hansen, U., Laszlo, G., Olsen, M. A., Christensen, M., Woracek, R., Iversen, K., Christensen, N. B., Rønnow, H. M., Freeman, P. G., Hauback, B. C., Kolevatov, R., Llamas-Jansa, I., Kanaki, K., Orecchini, A., Sacchetti, F., Petrillo, C., Schweika, W., Paciaroni, A., Tozzi, P., Zanatta, M., Luna, P., Herranz, I., Moral, O. G. del, Piscitelli, F., Huerta, M., Magán, M., Mosconi, M., Abad, E., Mannix, D., Aguilar, J., Stepanyan, S., Bakedano, G., Vivanco, R., Bustinduy, I., Khaplanov, A., Sordo, F., Martínez, J. L., Lechner, R. E., Villacorta, F. J., Šaroun, J., Hiess, A., Lukáš, P., Markó, M., Zanetti, M., Bellissima, S., Stefanescu, I., Rosso, L. del, Masi, F., Bovo, C., Chowdhury, M., De Bonis, A., Di Fresco, L., Kennedy, S., Scatigno, C., Parker, S. F., Fernández-Alonso, Félix, Kittelmann, Th., Colognesi, D., Senesi, R., Andreani, C., Gorini, G., Sciont, G., Schreyer, A., Kirstein, O., Petersson Årsköld, S., Taylor, J., Pfeiffer, D., Hall-Wilton, R., Lopez, C. I., Seifert, M., Aprigliano, G., Whitelegg, L., Moreira, F. Y., Olsson, M., Bordallo, Heloisa N., Martín-Rodríguez, D., Schneider, H., Sharp, M., Hartl, M., Nagy, G., Lohstroh, W., Ansell, S., Pullen, S., Vickery, A., Fedrigo, A., Mezei, F., Arai, M., Heenan, R. K., Halcrow, W., Turner, D., Raspino, D., Petry, W., Orszulik, A., Cooper, J., Webb, N., Galsworthy, P., Nightingale, J., Langridge, S., Elmer, J., Frielinghaus, H., Hanslik, R., Gussen, A., Neuhaus, J., Jaksch, S., Engels, R., Kozielewski, T., Butterweck, S., Feygenson, M., Harbott, P., Poqué, A., Schwaab, A., Lieutenant, K., Violini, N., Loaiza, L., Voigt, J., Brückel, Thomas, Koenen, M., Kämmerling, H., Babcock, E., Salhi, Z., Wischnewski, A., Heynen, A., Désert, S., Jestin, J., Tartaglione, A., Porcher, F., Fabrèges, X., Fabrèges, G., Annighöfer, B., Klimko, S., Dupont, Th., Robillard, Th., Goukassov, A., Longeville, S., Alba-Simionesco, Ch., Glavic, Artur G., Bourges, Ph., Guyon Le Bouffy, J., Lavie, P., Rodrigues, S., Calzada, E., Lerche, M., Schillinger, B., Schmakat, Ph., Schulz, M., Schütz, S., Stahn, J., and Lehmann, E.

Abstract

An overview is provided of the 15 neutron beam instruments making up the initial instrument suite of the European Spallation Source (ESS), and being made available to the neutron user community. The ESS neutron source consists of a high-power accelerator and target station, providing a unique long-pulse time structure of slow neutrons. The design considerations behind the time structure, moderator geometry and instrument layout are presented. The 15-instrument suite consists of two small-angle instruments, two reflectometers, an imaging beamline, two single-crystal diffractometers; one for macromolecular crystallography and one for magnetism, two powder diffractometers, and an engineering diffractometer, as well as an array of five inelastic instruments comprising two chopper spectrometers, an inverse-geometry single-crystal excitations spectrometer, an instrument for vibrational spectroscopy and a high-resolution backscattering spectrometer. The conceptual design, performance and scientific drivers of each of these instruments are described. All of the instruments are designed to provide breakthrough new scientific capability, not currently available at existing facilities, building on the inherent strengths of the ESS long-pulse neutron source of high flux, flexible resolution and large bandwidth. Each of them is predicted to provide world-leading performance at an accelerator power of 2 MW. This technical capability translates into a very broad range of scientific capabilities. The composition of the instrument suite has been chosen to maximise the breadth and depth of the scientific impact of the early years of the ESS, and provide a solid base for completion and further expansion of the facility.

Published
2020

20. Complex hydrides for energy storage

Author

Milanese, C., Jensen, T., Hauback, B., Pistidda, C., Dornheim, M., Yang, H., Lombardo, L., Züttel, A., Filinchuk, Y., de Jongh, P., Buckley, C., Dematteis, E., and Baricco, M.

Subjects
ddc:620.11
Abstract

In the past decades, complex hydrides and complex hydrides-based materials have been thoroughly investigated as materials for energy storage, owing to their very high gravimetric and volumetric hydrogen capacities and interesting cation and hydrogen diffusion properties. Concerning hydrogen storage, the main limitations of this class of materials are the high working temperatures and pressures, the low hydrogen absorption and desorption rates and the poor cyclability. In the past years, research in this field has been focused on understanding the hydrogen release and uptake mechanism of the pristine and catalyzed materials and on the characterization of the thermodynamic aspects, in order to rationally choose the composition and the stoichiometry of the systems in terms of hydrogen active phases and catalysts/destabilizing agents. Moreover, new materials have been discovered and characterized in an attempt to find systems with properties suitable for practical on-board and stationary applications. A significant part of this rich and productive activity has been performed by the research groups led by the Experts of the International Energy Agreement Task 32, often in collaborative research projects. The most recent findings of these joint activities and other noteworthy recent results in the field are reported in this paper.

Published
2019
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21. Magnesium based materials for hydrogen based energy storage: Past, present and future

Author

Yartys, V. A., Lototskyy, M. V., Akiba, E., Albert, R., Antonov, V. E., Ares, J. R., Baricco, M., Bourgeois, N., Buckley, C. E., Bellosta von Colbe, J. M., Crivello, J. C., Cuevas, F., Denys, R. V., Dornheim, M., Felderhoff, M., Grant, D. M., Hauback, B. C., Humphries, T. D., Jacob, I., Jensen, T. R., de Jongh, P. E., Joubert, J. M., Kuzovnikov, M. A., Latroche, M., Paskevicius, M., Pasquini, L., Popilevsky, L., Skripnyuk, V. M., Rabkin, E., Sofianos, M. V., Stuart, A., Walker, G., Wang, Hui, Webb, C. J., Zhu, Min, Yartys, V. A., Lototskyy, M. V., Akiba, E., Albert, R., Antonov, V. E., Ares, J. R., Baricco, M., Bourgeois, N., Buckley, C. E., Bellosta von Colbe, J. M., Crivello, J. C., Cuevas, F., Denys, R. V., Dornheim, M., Felderhoff, M., Grant, D. M., Hauback, B. C., Humphries, T. D., Jacob, I., Jensen, T. R., de Jongh, P. E., Joubert, J. M., Kuzovnikov, M. A., Latroche, M., Paskevicius, M., Pasquini, L., Popilevsky, L., Skripnyuk, V. M., Rabkin, E., Sofianos, M. V., Stuart, A., Walker, G., Wang, Hui, Webb, C. J., and Zhu, Min

Abstract

Magnesium hydride owns the largest share of publications on solid materials for hydrogen storage. The “Magnesium group” of international experts contributing to IEA Task 32 “Hydrogen Based Energy Storage” recently published two review papers presenting the activities of the group focused on magnesium hydride based materials and on Mg based compounds for hydrogen and energy storage. This review article not only overviews the latest activities on both fundamental aspects of Mg-based hydrides and their applications, but also presents a historic overview on the topic and outlines projected future developments. Particular attention is paid to the theoretical and experimental studies of Mg-H system at extreme pressures, kinetics and thermodynamics of the systems based on MgH 2 , nanostructuring, new Mg-based compounds and novel composites, and catalysis in the Mg based H storage systems. Finally, thermal energy storage and upscaled H storage systems accommodating MgH 2 are presented.

Published
2019

22. Magnesium based materials for hydrogen based energy storage: Past, present and future

Author

Inorganic Chemistry and Catalysis, Sub Inorganic Chemistry and Catalysis, Yartys, V. A., Lototskyy, M. V., Akiba, E., Albert, R., Antonov, V. E., Ares, J. R., Baricco, M., Bourgeois, N., Buckley, C. E., Bellosta von Colbe, J. M., Crivello, J. C., Cuevas, F., Denys, R. V., Dornheim, M., Felderhoff, M., Grant, D. M., Hauback, B. C., Humphries, T. D., Jacob, I., Jensen, T. R., de Jongh, P. E., Joubert, J. M., Kuzovnikov, M. A., Latroche, M., Paskevicius, M., Pasquini, L., Popilevsky, L., Skripnyuk, V. M., Rabkin, E., Sofianos, M. V., Stuart, A., Walker, G., Wang, Hui, Webb, C. J., Zhu, Min, Inorganic Chemistry and Catalysis, Sub Inorganic Chemistry and Catalysis, Yartys, V. A., Lototskyy, M. V., Akiba, E., Albert, R., Antonov, V. E., Ares, J. R., Baricco, M., Bourgeois, N., Buckley, C. E., Bellosta von Colbe, J. M., Crivello, J. C., Cuevas, F., Denys, R. V., Dornheim, M., Felderhoff, M., Grant, D. M., Hauback, B. C., Humphries, T. D., Jacob, I., Jensen, T. R., de Jongh, P. E., Joubert, J. M., Kuzovnikov, M. A., Latroche, M., Paskevicius, M., Pasquini, L., Popilevsky, L., Skripnyuk, V. M., Rabkin, E., Sofianos, M. V., Stuart, A., Walker, G., Wang, Hui, Webb, C. J., and Zhu, Min

Published
2019

23. Complex hydrides for energy storage

Author

Sub Inorganic Chemistry and Catalysis, Inorganic Chemistry and Catalysis, Milanese, C., Jensen, T. R., Hauback, B. C., Pistidda, C., Dornheim, M., Yang, H., Lombardo, L., Zuettel, A., Filinchuk, Y., Ngene, P., de Jongh, P. E., Buckley, C. E., Dematteis, E. M., Baricco, M., Sub Inorganic Chemistry and Catalysis, Inorganic Chemistry and Catalysis, Milanese, C., Jensen, T. R., Hauback, B. C., Pistidda, C., Dornheim, M., Yang, H., Lombardo, L., Zuettel, A., Filinchuk, Y., Ngene, P., de Jongh, P. E., Buckley, C. E., Dematteis, E. M., and Baricco, M.

Published
2019

24. Magnesium based materials for hydrogen based energy storage: Past, present and future

Author

Yartys, V., Lototskyy, M., Akiba, E., Albert, R., Antonov, V., Ares, J., Baricco, M., Bourgeois, N., Buckley, Craig, Bellosta von Colbe, J., Crivello, J., Cuevas, F., Denys, R., Dornheim, M., Felderhoff, M., Grant, D., Hauback, B., Humphries, Terry, Jacob, I., Jensen, T., de Jongh, P., Joubert, J., Kuzovnikov, M., Latroche, M., Paskevicius, Mark, Pasquini, L., Popilevsky, L., Skripnyuk, V., Rabkin, E., Sofianos, M., Stuart, A., Walker, G., Wang, H., Webb, C., Zhu, M., Yartys, V., Lototskyy, M., Akiba, E., Albert, R., Antonov, V., Ares, J., Baricco, M., Bourgeois, N., Buckley, Craig, Bellosta von Colbe, J., Crivello, J., Cuevas, F., Denys, R., Dornheim, M., Felderhoff, M., Grant, D., Hauback, B., Humphries, Terry, Jacob, I., Jensen, T., de Jongh, P., Joubert, J., Kuzovnikov, M., Latroche, M., Paskevicius, Mark, Pasquini, L., Popilevsky, L., Skripnyuk, V., Rabkin, E., Sofianos, M., Stuart, A., Walker, G., Wang, H., Webb, C., and Zhu, M.

Abstract

Magnesium hydride owns the largest share of publications on solid materials for hydrogen storage. The “Magnesium group” of international experts contributing to IEA Task 32 “Hydrogen Based Energy Storage” recently published two review papers presenting the activities of the group focused on magnesium hydride based materials and on Mg based compounds for hydrogen and energy storage. This review article not only overviews the latest activities on both fundamental aspects of Mg-based hydrides and their applications, but also presents a historic overview on the topic and outlines projected future developments. Particular attention is paid to the theoretical and experimental studies of Mg-H system at extreme pressures, kinetics and thermodynamics of the systems based on MgH2, nanostructuring, new Mg-based compounds and novel composites, and catalysis in the Mg based H storage systems. Finally, thermal energy storage and upscaled H storage systems accommodating MgH2 are presented.

Published
2019

26. Structure of Ca[([B[D.sub.4]).sub.2] [beta]-phase from combined neutron and synchrotron x-ray powder diffraction data and density functional calculations

Author

Buchter, F., Lodziana, Z., Remhof, A., Friedrichs, O., Borgschulte, A., Mauron, Ph., Zuttel, A., Sheptyakov, D., Barkhordarian, G., Bormann, R., Chlopek, K., Fichtner, M., Sorby, M., Riktor, M., Hauback, B., and Orimo, S.

Subjects
Calcium compounds -- Structure, Crystals -- Structure, Crystals -- Research, X-rays -- Diffraction, X-rays -- Research, Chemicals, plastics and rubber industries
Abstract

A combination of synchrotron radiation X-ray powder diffraction, neutron powder diffraction and ab initio calculations were used to study the crystal structure of Ca[(B[D.sub.4]).sub.2]. The Ca[(B[D.sub.4]).sub.2] showed variety of coexistence of structures such as [beta]-phase crystal structure, [alpha] phase orthorombic crystal structure and unsolved [gamma] phase.

Published
2008

28. Photochromic mechanism in oxygen-containing yttrium hydride thin films: An optical perspective

Author

Montero, J., Martinsen, F. A., García Tecedor, M., Karazhanov, S Zh., Maestre Varea, David, Hauback, B., Marstein, E. S., Montero, J., Martinsen, F. A., García Tecedor, M., Karazhanov, S Zh., Maestre Varea, David, Hauback, B., and Marstein, E. S.

Abstract

©2017 American Physical Society. This work was financially supported by the Norwegian Research Council though the FRINATEK Project No. 240477/F20 and the IDELAB/NANO2021 Project No. 238848., Oxygen-containing yttrium hydride thin films exhibit photochromic behavior: Transparent thin films reversibly switch from a transparent state to a photodarkened state after being illuminated with UV or blue light. From optical spectrophotometry and ellipsometry measurements of the transparent state and photodarkened state, it is concluded that the photochromic effect can be explained by the gradual growth, under illumination, of metallic domains within the initial wide-band-gap semiconducting lattice. This conclusion is supported by Raman measurements., Norwegian Research Council, Depto. de Física de Materiales, Fac. de Ciencias Físicas, TRUE, pub

Published
2017

29. Rare Earth Borohydrides - Crystal Structures and Thermal Properties

Author

Frommen, C., Sorby, M., Heere, M., Humphries, Terry, Olsen, J., Hauback, B., Frommen, C., Sorby, M., Heere, M., Humphries, Terry, Olsen, J., and Hauback, B.

Abstract

Rare earth (RE) borohydrides have received considerable attention during the past ten years as possible hydrogen storage materials due to their relatively high gravimetric hydrogen density. This review illustrates the rich chemistry, structural diversity and thermal properties of borohydrides containing RE elements. In addition, it highlights the decomposition and rehydrogenation properties of composites containing RE-borohydrides, light-weight metal borohydrides such as LiBH4 and additives such as LiH.

Published
2017

30. Regeneration of LiAlH4 at sub-ambient temperatures studied by multinuclear NMR spectroscopy

Author

Humphries, Terry, Birkmire, D., McGrady, G., Hauback, B., Jensen, C., Humphries, Terry, Birkmire, D., McGrady, G., Hauback, B., and Jensen, C.

Abstract

Lithium aluminium hydride (LiAlH 4 ) has long been identified as a viable hydrogen storage material, due to its high attainable theoretical gravimetric hydrogen capacity of 7.9 wt%. The main impediment to its viability for technical application is its limitation for regeneration. Recently, solvent-mediated regeneration has been achieved at room temperature using dimethyl-ether, Me 2 O, although the reaction pathway has not been determined. This in situ multinuclear NMR spectroscopy study ( 27 Al and 7 Li) has confirmed that the Me 2 O-mediated, direct synthesis of LiAlH 4 occurs by a one-step process in which LiAlH 4 ·xMe 2 O is formed, and does not involve Li 3 AlH 6 or any other intermediates. Hydrogenation has been shown to occur below ambient temperatures (at 0 °C) for the first time, and the importance of solvate adducts formed during the process is demonstrated.

Published
2017

31. The influence of LiH on the rehydrogenation behavior of halide free rare earth (RE) borohydrides (RE = Pr, Er)

Author

Heere, M., Payandeh GharibDoust, S., Frommen, C., Humphries, Terry, Ley, M., Sørby, M., Jensen, T., Hauback, B., Heere, M., Payandeh GharibDoust, S., Frommen, C., Humphries, Terry, Ley, M., Sørby, M., Jensen, T., and Hauback, B.

Abstract

© 2016 the Owner Societies. Rare earth (RE) metal borohydrides are receiving immense consideration as possible hydrogen storage materials and solid-state Li-ion conductors. In this study, halide free Er(BH4)3 and Pr(BH4)3 have been successfully synthesized for the first time by the combination of mechanochemical milling and/or wet chemistry. Rietveld refinement of Er(BH4)3 confirmed the formation of two different Er(BH4)3 polymorphs: a-Er(BH4)3 with space group Pa3, a = 10.76796(5) Å, and ß-Er(BH4)3 in Pm3m with a = 5.4664(1) Å. A variety of Pr(BH4)3 phases were found after extraction with diethyl ether: a-Pr(BH4)3 in Pa3 with a = 11.2465(1) Å, ß-Pr(BH4)3 in Pm3m with a = 5.716(2) Å and LiPr(BH4)3Cl in I43m, a = 11.5468(3) Å. Almost phase pure a-Pr(BH4)3 in Pa3 with a = 11.2473(2) Å was also synthesized. The thermal decomposition of Er(BH4)3 and Pr(BH4)3 proceeded without the formation of crystalline products. Rehydrogenation, as such, was not successful. However, addition of LiH promoted the rehydrogenation of RE hydride phases and LiBH4 from the decomposed RE(BH4)3 samples.

Published
2016

32. Complex and liquid hydrides for energy storage

Author

Callini, E., Atakli, Z., Hauback, B., Orimo, S., Jensen, C., Dornheim, M., Grant, D., Cho, Y., Chen, P., Hjörvarsson, B., de Jongh, P., Weidenthaler, C., Baricco, M., Paskevicius, Mark, Jensen, T., Bowden, M., Autrey, T., Züttel, A., Callini, E., Atakli, Z., Hauback, B., Orimo, S., Jensen, C., Dornheim, M., Grant, D., Cho, Y., Chen, P., Hjörvarsson, B., de Jongh, P., Weidenthaler, C., Baricco, M., Paskevicius, Mark, Jensen, T., Bowden, M., Autrey, T., and Züttel, A.

Abstract

© 2016, Springer-Verlag Berlin Heidelberg.The research on complex hydrides for hydrogen storage was initiated by the discovery of Ti as a hydrogen sorption catalyst in NaAlH4 by Boris Bogdanovic in 1996. A large number of new complex hydride materials in various forms and combinations have been synthesized and characterized, and the knowledge regarding the properties of complex hydrides and the synthesis methods has grown enormously since then. A significant portion of the research groups active in the field of complex hydrides is collaborators in the International Energy Agreement Task 32. This paper reports about the important issues in the field of complex hydride research, i.e. the synthesis of borohydrides, the thermodynamics of complex hydrides, the effects of size and confinement, the hydrogen sorption mechanism and the complex hydride composites as well as the properties of liquid complex hydrides. This paper is the result of the collaboration of several groups and is an excellent summary of the recent achievements.

Published
2016

34. BOR4STORE: Fast, Reliable and Cost effective Boron Hydride based high capacity Solid state Hydrogen Storage Materials

Author

Taube, Klaus, Pistidda, Claudio, Bellosta v. Colbe, Jose Maria, Dornheim, Martin, Escudero Ávila, M. T., Cervera, Tamara Guerrero, Gómez, Daniel Márquez, Zoz, Henning, Yigit, Deniz, Kríž, O, Keder, Roman, Krovácek, Martin, Jensen, Torben René, Richter, Bo, Hansen, Bjarne Rosenlund Søndertoft, Javadian, Payam, Deledda, Stefano, Hauback, B., Zavorotynska, O., Baricco, M., Albanese, E., Pinatel, E., Bordiga, S., Civalleri, B., Züttel, A., Borgschulte, A., Stadie, N., Charalambopoulou, G., Stubos, A., and Steriotis, T.

Published
2013

35. Magnetic properties and crystal structure of HoNiAl and UNiAl hydrides.

Author

Kolomiets, A. V., Havela, L., Rafaja, D., Bordallo, H. N., Nakotte, H., Yartys, V. A., Hauback, B. C., Drulis, H., Iwasieczko, W., and DeLong, L. E.

Subjects
HYDRIDES, HYDROGENATION, INTERMETALLIC compounds, MAGNETIC properties
Abstract

The effect of hydrogenation on the magnetic properties and crystal structure of 4f and 5f intermetallics was studied on HoNiAlH[sub 2.0], UNiAlH[sub 2.3] and UNiAlD[sub 2.1]. The incorporation of hydrogen into HoNiAl leads to a decrease of the magnetic ordering temperature from 13 to 6 K, while it increases from 19 K to values in the range 90–100 K in the UNiAl–H system. The crystal lattices of all compounds are anisotropically expanded. Moreover, the crystal symmetry is lowered to orthorhombic in HoNiAlH[sub 2.0], but remains hexagonal for UNiAlH(D)[sub x]. Three different deuterium positions were found for both compounds. © 2000 American Institute of Physics. [ABSTRACT FROM AUTHOR]

Published
2000
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36. Two new cluster ions, Ga[GaH3]4(5-) with a neopentane structure in Rb8Ga5H15 and [GaH2]n(n-) with a polyethylene structure in Rb(n)(GaH2)n, represent a new class of compounds with direct Ga-Ga bonds mimicking common hydrocarbons

Author

Fahlquist, H, Noréus, D, Callear, S, David, W, and Hauback, B

Abstract

The first examples of a new class of gallium hydride clusters with direct Ga-Ga bonds and common hydrocarbon structures are reported. Neutron powder diffraction was used to find a Ga[GaH(3)](4)(5-) cluster ion with a neopentane structure in a novel cubic structure type of Rb(8)Ga(5)H(15). Another cluster ion with a polyethylene structure, [GaH(2)](n)(n-), was found in a second novel (RbGaH(2))(n) hydride. These hydrocarbon-like clusters in gallium hydride materials have significant implications for the discovery of hydrides for hydrogen storage as well as for interesting electronic properties.

Published
2011

38. Hydrogen cycling in ?-Mg(BH4)2 with cobalt-based additives

Author

Zavorotynska, O., Saldan, I., Hino, S., Humphries, Terry, Deledda, S., Hauback, B., Zavorotynska, O., Saldan, I., Hino, S., Humphries, Terry, Deledda, S., and Hauback, B.

Abstract

Magnesium borohydride (Mg(BH4)2) is an attractive candidate as a hydrogen storage material due to its high hydrogen content and predicted favorable thermodynamics. In this work we demonstrate reversible hydrogen desorption in partially decomposed Mg(BH4)2 which was ball milled together with 2 mol% Co-based additives. Powder X-ray diffraction and infrared spectroscopy showed that after partial decomposition at 285 °C, amorphous boron-hydride compounds were formed. Rehydrogenation at equivalent temperatures and hydrogen pressures of 120 bar yielded the formation of crystalline Mg(BH4)2 in the first cycle, and amorphous Mg(BH4)2 with other boron-hydrogen compounds upon the third H2 absorption. Reversibility was observed in the samples with and without Co-based additives, although the additives enhanced hydrogen desorption kinetics in the first cycle. X-ray absorption spectroscopy at Co K-edge revealed that all the additives, apart from Co2B, reacted during the first desorption to form new stable species. This journal is

Published
2015

39. Crystal structure and in situ decomposition of Eu(BH4)2 and Sm(BH4)2

Author

Humphries, Terry, Ley, M., Frommen, C., Munroe, K., Jensen, T., Hauback, B., Humphries, Terry, Ley, M., Frommen, C., Munroe, K., Jensen, T., and Hauback, B.

Abstract

Synthesis of halide free rare earth metal (RE) borohydride complexes is demonstrated by the metathesis reaction of trivalent RE metal chlorides and LiBH4 in ethereal solution, combined with solvent extraction using dimethyl sulfide. The crystal structures of Eu(BH4)2 and Sm(BH4)2 are orthorhombic (space group Pbcn) and are shown to be related to the structure of Sr(BH4)2 by Rietveld refinement. Further, the thermal decomposition of these materials has been studied by in situ synchrotron radiation powder X-ray diffraction, differential scanning calorimetry, thermogravimetric analysis, mass spectrometry and Sieverts measurements. The decomposition pathway of these solvent extracted materials has been compared against materials prepared by mechano-chemistry, the process of which is simplified by the absence of chloride impurities.

Published
2015

40. Complex transition metal hydrides incorporating ionic hydrogen: Synthesis and characterization of Na2Mg2FeH8 and Na2Mg2RuH8

Author

Humphries, Terry, Takagi, S., Li, G., Matsuo, M., Sato, T., Sørby, M., Deledda, S., Hauback, B., Orimo, S., Humphries, Terry, Takagi, S., Li, G., Matsuo, M., Sato, T., Sørby, M., Deledda, S., Hauback, B., and Orimo, S.

Abstract

A new class of quaternary complex transition metal hydrides (Na2Mg2TH8 (T = Fe, Ru)) have been synthesized and their structures determined by combined synchrotron radiation X-ray and powder neutron diffraction. The compounds can be considered as a link between ionic and complex hydrides in terms of incorporating independently coordinated ionic and covalent hydrogen. These novel isostructural complex transition metal hydrides crystallize in the orthorhombic space group Pbam, where the octahedral complex hydride anion is surrounded by a cubic array of four Mg2+ and four Na+ cations, forming distinct two-dimensional layers. An intriguing feature of these materials is the distorted octahedral coordination of the isolated H− anions by four Na+ and two Mg2+ cations, which form layers between the transition metal containing layers. The vibrational modes of the H− anions and complex hydride anion are independently observed for the first time in a quaternary complex transition metal hydride system by Raman and IR spectroscopy.

Published
2015

43. Structure of the orthorhombic γ-phase and phase transitions of Ca(BD₄)₂

Author

Buchter, Florian, Łodziana, Z., Remhof, A., Friedrichs, O., Borgschulte, A., Mauron, Philippe, Züttel, Andreas, Sheptyakov, D., Palatinus, L., Chłopek, K., Fichtner, M., Barkhordarian, G., Bormann, R., and Hauback, B. C.

Abstract

We have solved and refined the crystal structure of the orthorhombic γ-phase of Ca(BD₄)₂ by combined synchrotron X-ray powder diffraction, neutron powder diffraction, and ab initio calculations. Among five structural candidates giving the same quality of the fit of the diffraction data, the structural model with the highest symmetry and space group Pbca is the most appropriate. This is supported by the implicit presence of the Pbca symmetry operations in the low-symmetry space groups in both experimental and DFT calculated structures. The Ca atoms are surrounded by six BD₄ groups that have similar distortions as reported for the β-phase of Ca(BD₄)₂. On the basis of the experimental structures, free energies of the α-, β-, and γ-phases are calculated in the range 300 K < T < 620 K. The phase transitions are observed in the same temperature range by means of X-ray diffraction on Ca(BD₄)₂ + MgD₂ and pure Ca(BD₄)₂ samples. According to the ab initio calculations, the α-phase is the ground state at 0 K. At room temperature, the calculated free energies of the α-phase, β-phase, and γ-phase were found to be within ~0.13 eV/f.u., in agreement with the observed coexistence of these phases. Moreover, calculations provide insight into trends for relative stabilities of α-, β-, and γ-phases. That is, with increasing temperature, the β-phase becomes more stable, while the metastable γ-phase becomes more destabilized with respect to the α-phase.

Published
2010

46. Thermal stability of photovoltaic a-Si:H determined by neutron reflectometry

Author

Qviller, A. J., Dennison, A. J. C., Haug, H., You, C. C., Hasle, I. M., Ostreng, E., Fjellvag, H., Vorobiev, Alexey, Hjörvarsson, Björgvin, Marstein, E. S., Frommen, C., Hauback, B. C., Qviller, A. J., Dennison, A. J. C., Haug, H., You, C. C., Hasle, I. M., Ostreng, E., Fjellvag, H., Vorobiev, Alexey, Hjörvarsson, Björgvin, Marstein, E. S., Frommen, C., and Hauback, B. C.

Abstract

Neutron and X-ray reflectometry were used to determine the layer structure and hydrogen content of thin films of amorphous silicon (a-Si:H) deposited onto crystalline silicon (Si) wafers for surface passivation in solar cells. The combination of these two reflectometry techniques is well suited for non-destructive probing of the structure of a-Si:H due to being able to probe buried interfaces and having sub-nanometer resolution. Neutron reflectometry is also unique in its ability to allow determination of density gradients of light elements such as hydrogen (H). The neutron scattering contrast between Si and H is strong, making it possible to determine the H concentration in the deposited a-Si:H. In order to correlate the surface passivation properties supplied by the a-Si:H thin films, as quantified by obtainable effective minority carrier lifetime, photoconductance measurements were also performed. It is shown that the minority carrier lifetime falls sharply when H has been desorbed from a-Si:H by annealing. (C) 2014 AIP Publishing LLC.

Published
2014
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47. Regeneration of sodium alanate studied by powder in situ neutron and synchrotron X-ray diffraction

Author

Humphries, Terry, Makepeace, J., Hino, S., David, W., Hauback, B., Humphries, Terry, Makepeace, J., Hino, S., David, W., and Hauback, B.

Abstract

The regeneration pathway of sodium alanate has been studied in detail by in situ synchrotron powder X-ray diffraction (SR-XRD) and powder neutron diffraction (PND). Rietveld refinement of the data has accurately determined the composition of all crystalline phases during the reaction process and shows definitively that Al initially reacts with NaH to form Na3AlH6, followed by the formation of NaAlH4 (before the total consumption of NaH) in two indiscrete reactions. During hydrogenation, an expansion of 0.6% of the Na3AlH6 unit cell is observed indicating towards the inclusion of Ti within the crystal lattice. This study promotes the recent development of next-generation sample holders and detectors that now enable the in situ diffraction measurement of hydrogen storage materials under relatively high gas pressures (>100 bar) and temperatures. This journal is

Published
2014

48. Structural changes observed during the reversible hydrogenation of Mg(BH4)2 with Ni-based additives

Author

Saldan, I., Hino, S., Humphries, Terry, Zavorotynska, O., Chong, M., Jensen, C., Deledda, S., Hauback, B., Saldan, I., Hino, S., Humphries, Terry, Zavorotynska, O., Chong, M., Jensen, C., Deledda, S., and Hauback, B.

Abstract

The decomposition and rehydrogenation of ?-Mg(BH4)2 ball milled together with 2 mol % of Ni-based additives, Ninano, NiCl2, NiF2, and Ni3B, has been investigated during one hydrogen desorption-absorption cycle. Under the applied ball-milling conditions, no mechanochemical reactions between ?-Mg(BH4)2 and Niadd were observed. Hydrogen desorption carried out at temperatures of 220-264 °C resulted for all samples in partial decomposition of Mg(BH4)2 and formation of amorphous phases, as seen by powder X-ray diffraction (PXD). PXD analysis after rehydrogenation at temperatures of 210-262°C and at pressures between 100 and 155 bar revealed increased fractions of crystalline ß-Mg(BH4)2, indicating a partial reversibility of the composite powders. The highest amount of [BH4]- is formed in the composite containing Ni3B. Analysis by X-ray absorption spectroscopy performed after ball milling, after desorption, and after absorption shows that the Ni3B additive remains unaffected, whereas NiCl2 and NiF2 additives react with Mg(BH4)2 during the hydrogen desorption-absorption and form compounds with a local structure very similar to that of amorphous Ni3B. Multinuclear NMR spectroscopy confirms the partial reversibility of the system as well as the formation of [B10H10]2- during hydrogen absorption. The presence of [BnHn]2- (n = 10, 12) was also detected by infrared (IR) spectroscopy of the dehydrogenated and rehydrogenated samples. The IR measurements give no clear indication that ions containing B-H-B bridged hydrogen groups were formed during the H-sorption cycle.

Published
2014

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