The Experts below are selected from a list of 90 Experts worldwide ranked by ideXlab platform
U. B. Demirci - One of the best experts on this subject based on the ideXlab platform.
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Key Study on the Potential of Hydrazine Bisborane for Solid- and Liquid-State Chemical Hydrogen Storage
Inorganic Chemistry, 2015Co-Authors: Sergii Pylypko, Eddy Petit, Pascal G. Yot, Fabrice Salles, Marc Cretin, Philippe Miele, U. B. DemirciAbstract:Hydrazine bisborane N2H4(BH3)2 (HBB; 16.8 wt %) recently re-emerged as a potential hydrogen storage material. However, such potential is controversial: HBB was seen as a hazardous compound up to 2010, but now it would be suitable for hydrogen storage. In this context, we focused on fundamentals of HBB because they are missing in the literature and should help to shed light on its effective potential while taking into consideration any risk. Experimental/computational methods were used to get a complete characterization data sheet, including, e.g., XRD, NMR, FTIR, Raman, TGA, and DSC. From the reported results and discussion, it is concluded that HBB has potential in the field of chemical hydrogen storage given that both thermolytic and hydrolytic dehydrogenations were analyzed. In solid-state chemical hydrogen storage, it cannot be used in the pristine state (risk of explosion during dehydrogenation) but can be used for the synthesis of derivatives with improved dehydrogenation properties. In liquid-state chemical hydrogen storage, it can be studied for room-temperature dehydrogenation, but this requires the development of an active and selective Metal-Based Catalyst. HBB is a thus a candidate for chemical hydrogen storage.
Tom R Baker - One of the best experts on this subject based on the ideXlab platform.
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base metal catalyzed dehydrogenation of ammonia borane for chemical hydrogen storage
Journal of the American Chemical Society, 2007Co-Authors: Richard J Keaton, Johanna M Blacquiere, Tom R BakerAbstract:We report here the first example of a homogeneous first row transition-Metal-Based Catalyst which is active for dehydrogenation of ammonia−borane, H3NBH3, a promising chemical hydrogen storage material. Addition of ammonia−borane to an active Catalyst formed in situ from the reaction of Ni(cod)2 and 2 equiv of an appropriate N-heterocyclic carbene (NHC) rapidly evolves hydrogen at 60 °C. Using a gas burette to quantify the gas evolved, 29 of a possible 31 mL of H2 for 3 equiv of H2 was produced, equating to >2.5 equiv of H2 from ammonia−borane. Kinetic isotope effects of deuterated derivatives of ammonia−borane suggest that both N−H and B−H bonds are being broken in the rate-determining step(s).
Alfonso Baldereschi - One of the best experts on this subject based on the ideXlab platform.
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Carbon dioxide hydrogenation on Ni(110)
Journal of the American Chemical Society, 2008Co-Authors: Erik Vesselli, Loredana De Rogatis, Maria Peressi, Alessandro Baraldi, Xunlei Ding, Paolo Fornasiero, Mario Rocca, Letizia Savio, Luca Vattuone, Alfonso BaldereschiAbstract:We demonstrate that the key step for the reaction of CO 2 with hydrogen on Ni(110) is a change of the activated molecule coordination to the metal surface. At 90 K, CO 2 is negatively charged and chemically bonded via the carbon atom. When the temperature is increased and H approaches, the H-CO 2 complex flips and binds to the surface through the two oxygen atoms, while H binds to the carbon atom, thus yielding formate. We provide the atomic-level description of this process by means of conventional ultrahigh vacuum surface science techniques combined with density functional theory calculations and corroborated by high pressure reactivity tests. Knowledge about the details of the mechanisms involved in this reaction can yield a deeper comprehension of heterogeneous catalytic organic synthesis processes involving carbon dioxide as a reactant. We show why on Ni the CO 2 hydrogenation barrier is remarkably smaller than that on the common Cu Metal-Based Catalyst. Our results provide a possible interpretation of the observed high catalytic activity of NiCu alloys.
Sergii Pylypko - One of the best experts on this subject based on the ideXlab platform.
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Key Study on the Potential of Hydrazine Bisborane for Solid- and Liquid-State Chemical Hydrogen Storage
Inorganic Chemistry, 2015Co-Authors: Sergii Pylypko, Eddy Petit, Pascal G. Yot, Fabrice Salles, Marc Cretin, Philippe Miele, U. B. DemirciAbstract:Hydrazine bisborane N2H4(BH3)2 (HBB; 16.8 wt %) recently re-emerged as a potential hydrogen storage material. However, such potential is controversial: HBB was seen as a hazardous compound up to 2010, but now it would be suitable for hydrogen storage. In this context, we focused on fundamentals of HBB because they are missing in the literature and should help to shed light on its effective potential while taking into consideration any risk. Experimental/computational methods were used to get a complete characterization data sheet, including, e.g., XRD, NMR, FTIR, Raman, TGA, and DSC. From the reported results and discussion, it is concluded that HBB has potential in the field of chemical hydrogen storage given that both thermolytic and hydrolytic dehydrogenations were analyzed. In solid-state chemical hydrogen storage, it cannot be used in the pristine state (risk of explosion during dehydrogenation) but can be used for the synthesis of derivatives with improved dehydrogenation properties. In liquid-state chemical hydrogen storage, it can be studied for room-temperature dehydrogenation, but this requires the development of an active and selective Metal-Based Catalyst. HBB is a thus a candidate for chemical hydrogen storage.
Richard J Keaton - One of the best experts on this subject based on the ideXlab platform.
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base metal catalyzed dehydrogenation of ammonia borane for chemical hydrogen storage
Journal of the American Chemical Society, 2007Co-Authors: Richard J Keaton, Johanna M Blacquiere, Tom R BakerAbstract:We report here the first example of a homogeneous first row transition-Metal-Based Catalyst which is active for dehydrogenation of ammonia−borane, H3NBH3, a promising chemical hydrogen storage material. Addition of ammonia−borane to an active Catalyst formed in situ from the reaction of Ni(cod)2 and 2 equiv of an appropriate N-heterocyclic carbene (NHC) rapidly evolves hydrogen at 60 °C. Using a gas burette to quantify the gas evolved, 29 of a possible 31 mL of H2 for 3 equiv of H2 was produced, equating to >2.5 equiv of H2 from ammonia−borane. Kinetic isotope effects of deuterated derivatives of ammonia−borane suggest that both N−H and B−H bonds are being broken in the rate-determining step(s).