Hydrostatic pressure on XLiH3 (X = Ba, Sr, Ca) perovskite hydrides: An insight into structural, thermo-elastic and ultrasonic properties through first-principles investigation
Sign Up to like & getrecommendations! Published in 2021 at "Solid State Communications"
DOI: 10.1016/j.ssc.2021.114222
Abstract: Abstract Density functional theory based first-principles investigation on structural, elastic, ultrasonic and thermodynamic properties of cubic perovskite hydrides XLiH3 (X = Ba, Sr, Ca) at ambient and high pressures is reported in this study. The evaluated structural… read more here.
Keywords: first principles; principles investigation; pressure; hydrostatic pressure ... See more keywords
First-Principles Computational Screening of Perovskite Hydrides for Hydrogen Release.
Sign Up to like & getrecommendations! Published in 2019 at "ACS combinatorial science"
DOI: 10.1021/acscombsci.9b00108
Abstract: This study investigates perovskite hydrides (ABH3) comprising alkali metals of A, where A is Li, Na, K, Rb, or Cs, and alkaline-earth metals of B, where B is Be, Mg, Ca, Sr, or Ba, to… read more here.
Keywords: hydrogen release; hydrogen; perovskite hydrides; hydrides hydrogen ... See more keywords