Crystal structure, stability, and electronic properties of hydrated metal sulfates MSO4(H2O)n (M=Ni, Mg; n=6, 7) and their mixed phases: A first principles study

C Fang (External organisation)

X. Lu (TU Delft - BT/Environmental Biotechnology, TU Delft - OLD Process Equipment)

Willem Buijs (TU Delft - Engineering Thermodynamics)

Z Fan (TU Delft - Engineering Thermodynamics)

FE Genceli Güner (TU Delft - Intensified Reaction and Separation Systems)

MA van Huis (External organisation)

G. J. Witkamp (TU Delft - BT/Environmental Biotechnology)

Thijs J.H. J. H. Vlugt (TU Delft - Engineering Thermodynamics)