8 research outputs found
Nonempirical cluster calculations of the electric field gradient tensor in yttrium-aluminum garnet Y3Al5O12
No full textMobility of water molecules in sodium- and copper-exchanged mordenites : thermal analysis and ^{1}H NMR study
No full textNMR study of metal-hydrogen systems for hydrogen storage
No full textInternational audienceIn this contribution we report on the results of our recent 1H NMR studies of different metal hydrides of interest for reversible hydrogen storage applications: Ti-V-Cr alloys of various compositions, pure and with Zr7Ni10 or Hf7Ni10 additives, and in additives themselves. The temperature dependences of 1 H spin-lattice relaxation have been treated within an exchange model
Hydrogen-sorption properties of magnesium and its intermetallics with Ca7Ge-Type structure
No full text
A Theoretical Study of the Effect of Zr-, Nb-Doped and Vacancy-like Defects on H Desorption on MgH2 (110) Surface
Get PDFDFT calculations were used to study hydrogen desorption energy in a set of pure, Nb- or Zr-doped systems, containing vacancy-like defects and a MgH2 (110) defect-free surface. The preferential location site for dopants was determined by means of occupation energy analysis. Both transition metal atoms (Nb and Zr) preferred interstitial sites. The effect of vacancies in the systems was also considered. MgH2 with a Nb interstitial atom and MgH2 with a Zr interstitial atom containing a Mg vacancy modifies the surface geometry and weakens the Mg–H bonds thus easing the H desorption process.Fil: German, Estefania. Georgia Institute of Techology; Estados Unidos. Consejo Nacional de Investigaciones CientĂficas y TĂ©cnicas. Centro CientĂfico TecnolĂłgico Conicet - BahĂa Blanca. Instituto de FĂsica del Sur. Universidad Nacional del Sur. Departamento de FĂsica. Instituto de FĂsica del Sur; ArgentinaFil: Verdinelli, Valeria. Consejo Nacional de Investigaciones CientĂficas y TĂ©cnicas. Centro CientĂfico TecnolĂłgico Conicet - BahĂa Blanca. Instituto de FĂsica del Sur. Universidad Nacional del Sur. Departamento de FĂsica. Instituto de FĂsica del Sur; ArgentinaFil: Luna, Carla Romina. Consejo Nacional de Investigaciones CientĂficas y TĂ©cnicas. Centro CientĂfico TecnolĂłgico Conicet - BahĂa Blanca. Instituto de FĂsica del Sur. Universidad Nacional del Sur. Departamento de FĂsica. Instituto de FĂsica del Sur; ArgentinaFil: Juan, Alfredo. Consejo Nacional de Investigaciones CientĂficas y TĂ©cnicas. Centro CientĂfico TecnolĂłgico Conicet - BahĂa Blanca. Instituto de FĂsica del Sur. Universidad Nacional del Sur. Departamento de FĂsica. Instituto de FĂsica del Sur; ArgentinaFil: Sholl, David. Georgia Institute of Techology; Estados Unido
