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cond-mat.mtrl-sci2021
Theoretical and Experimental Study of LiBH4-LiBr Phase Diagram
Valerio Gulino, Erika Michela Dematteis, Marta Corno +2
Because substitutions of BH4- anion with Br can stabilize the hexagonal structure of the LiBH4 at room temperature, leading to a high Li-ion conductivity, its thermodynamic stabili…
cond-mat.mtrl-sci2018
Lattice dynamics and thermophysical properties of h.c.p. Os and Ru from the quasi-harmonic approximation
Mauro Palumbo, Andrea Dal Corso
We report first-principles phonon frequencies and anharmonic thermodynamic properties of h.c.p. Os and Ru calculated within the quasi-harmonic approximation, including Gruneisen pa…
cond-mat.mtrl-sci2017
Lattice dynamics and thermophysical properties of h.c.p. Re and Tc from the quasi-harmonic approximation
Mauro Palumbo, Andrea Dal Corso
We report first-principles phonon frequencies and anharmonic thermodynamic properties of h.c.p. Re and Tc calculated within the quasi-harmonic approximation, including Grüneisen pa…