Band structure and chemical bonding of the hydride phase of the Ti3P-H system
1996 (English)In: JOURNAL OF ALLOYS AND COMPOUNDS, Vol. 241, no 1-2, 22-28 p.Other (Other scientific)
The stability of five different conceivable tetrahedral hydrogen sites in the beta-V3S type phase of the TI3P-H system has been studied by means of electronic band structure and total valence energy calculations. The result shows that the stability of th
Place, publisher, year, edition, pages
ELSEVIER SCIENCE SA LAUSANNE , 1996. Vol. 241, no 1-2, 22-28 p.
band structure; chemical bonding; hydride; Ti3P-H; HYDROGEN ABSORPTION
IdentifiersURN: urn:nbn:se:uu:diva-69521OAI: oai:DiVA.org:uu-69521DiVA: diva2:97432
Addresses: Larsson T, UNIV UPPSALA, DEPT INORGAN CHEM, BOX 531, S-75121 UPPSALA, SWEDEN.2008-10-172008-10-17