Ab initio investigations of the perovskite and K2NiF4 phases in the CseCaeH system
Idioma
en
Article de revue
Este ítem está publicado en
Solid State Sciences. 2011, vol. 13, n° 3, p. 569-573
Elsevier
Resumen en inglés
Deriving the energy–volume equation of state within DFT for CsCaH3 and Cs2CaH4 has allowed predicting significant changes within the ionic behavior of hydrogen. In Cs2CaH4, apical H1 and equatorial H2 are found as less and ...Leer más >