Vv. Nemoshkalenko et al., ELECTRONIC-STRUCTURE AND CHEMICAL BONDING IN TI-CO-H HYDRIDES, International journal of hydrogen energy, 18(10), 1993, pp. 843-846
Citations number
9
Categorie Soggetti
Energy & Fuels","Environmental Sciences","Physics, Atomic, Molecular & Chemical
The experimentally obtained spectra of the K- and L-series for hydride
s TiCoH0.88, TiCoH1.42 of intermetallic TiCo compound and also pure Ti
and Co are presented and discussed. The band structure calculations f
or the Ti-Co-H(x) system by the cluster X(alpha)-scattered-wave (SW) m
ethod were carried out. The comparison between local densities for bot
h cluster types with tetrahedral and octahedral interstices for hydrog
en occupation and measured X-ray emission spectra has led us to the co
nclusion that in the Ti-Co-H(x) unit cell, tetrahedral localization fo
r hydrogen atoms is preferred.