Solid-state proton nuclear magnetic resonance studies of hydrogen site occupancies, electronic structure properties, and diffusion behavior in transition-metal hydrides

Technical Report · Mon Aug 30 00:00:00 EDT 1982

OSTI ID:6752094

Bowman, Jr, R C

Solid-state NMR techniques have been used to measure the proton lineshapes, Knight shifts, and relaxation times in several transition metal hydrides. The objective is to obtain a better understanding of the roles of host metal structures and substitutional alloying on the hydrogen site occupancy, the electronic structure properties, and diffusion mechanisms. An improved method for observing the rigid-lattice proton lineshapes and extracting the second moments has been developed. Comparisions of the experimental second moments for polycrystalline samples with the values calculated from Van Vleck formulas for nuclear dipolar interactions have indicated that only tetrahedral interstitial sites are occupied by the protons in TiH/sub x/, ZrH/sub x/, crystalline TiCuH/sub 0/ /sub 94/, Ti/sub 2/CuH/sub 1/ /sub 9/, and Zr/sub 2/PdH/sub x/ (with x < 2) while both tetrahedral and octahedral sites can be occupied in amorphous a-TiCuH/sub 1/ /sub 4/, Ti/sub 2/CuH/sub 2/ /sub 6/, and Zr/sub 2/PdH/sub x/ (x > 2). The proton Knight shifts and low-temperature spin-lattice relaxation times have been related to the local densities of electron states at the Fermi levels N(E/sub F) in Ti/sub 1-y/V/sub y/H/sub x/, TiCr/sub 1/ /sub 8/H/sub x/, TiCr/sub 1/ /sub 9/H/sub x/, TiCuH/sub x/, Ti/sub 2/CuH/sub x/, ZrH/sub x/, and Zr/sub 2/PdH/sub x/. Chapters are devoted to the following subjects: Properties of Transition Metal Hydrides; Concepts and Methods of NMR as Applied to Metal Hydrides; A Simple Magic Echo Sequence for Second Moment Measurements; Proton NMR Lineshapes in ZrH/sub x/; Proton NMR Studies of Electronic Structure in Ti/sub 1-y/V/sub y/H/sub 1/ /sub 95/; Electronic Structure of Zirconium Hydride; Proton NMR and Magnetic Susceptibility Study of TiCr/sub 1/ /sub 8/H/sub x/; Proton NMR Studies of Hydrogen Diffusion and Electronic Structure in Crystalline and Amorphous Titanium - Copper Hydrides; and Proton Site Occupancies and Electronic Properties in Crystalline and Amorphous Zr/sub 2/PdH/sub x/.

• Research Organization: Mound Facility, Miamisburg, OH (USA)
• DOE Contract Number: AC04-76DP00053
• OSTI ID: 6752094
• Report Number(s): MLM-2999; ON: DE83002822
• Resource Relation: Other Information: Thesis. Submitted to California Inst. of Tech., Pasadena
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
08 HYDROGEN
CHROMIUM HYDRIDES
MAGNETIC SUSCEPTIBILITY
NUCLEAR MAGNETIC RESONANCE
COPPER HYDRIDES
ELECTRONIC STRUCTURE
PALLADIUM HYDRIDES
TITANIUM HYDRIDES
VANADIUM HYDRIDES
ZIRCONIUM HYDRIDES
DIFFUSION
SPIN-LATTICE RELAXATION
CHROMIUM COMPOUNDS
COPPER COMPOUNDS
HYDRIDES
HYDROGEN COMPOUNDS
MAGNETIC PROPERTIES
MAGNETIC RESONANCE
PALLADIUM COMPOUNDS
PHYSICAL PROPERTIES
RELAXATION
RESONANCE
TITANIUM COMPOUNDS
TRANSITION ELEMENT COMPOUNDS
VANADIUM COMPOUNDS
ZIRCONIUM COMPOUNDS
360202* - Ceramics
Cermets
&amp; Refractories- Structure &amp; Phase Studies
360204 - Ceramics
Cermets
&amp; Refractories- Physical Properties
080201 - Hydrogen- Chemisorption Storage