The structure and IR vibrational spectra of tetrahydroborate sodalite (Na8[AlSiO4]6(BH4)2) were calculated using density functional theory (DFT) methods. The calculations, performed at the GGA hybrid… (More)

Tetrahydroborate sodalites have been discussed as possible materials for reversible hydrogen storage. In order to access the suitability of Na8[AlSiO4]6(BH4)2, its reaction with water was… (More)

The hydrothermal treatment of zeolite NH4Y was investigated as a function of steaming time in the range between 0.5 h and 20 h at 773 K, 873 K and 973 K, respectively. The evolution of the lattice… (More)

We have studied the anisotropic optical properties of binary N b 0 2 5 _ a (0 < Ö < 0.083) and ternary N b 1 8 _ £ W 8 + £ 0 6 ? (e = 0 , 1 , . . . , 9) compounds using the polarized… (More)

Polished plane-parallel sections (1 mm in thickness) of fused mullite (2Al 2 O 3 · 1SiO 2) were exposed to a slowly flowing (≈ 100 ml/min) water vapor containing atmosphere (H 2 O/O 2 = 20/80) at a… (More)

Density functional theory (DFT) calculations at generalized gradient approximation (GGA) level were performed to interpret experimental IR and Raman vibrational spectra, to assign (11)B-NMR chemical… (More)