Identification of hydrated phases in ALPO4-5, and explanation of their effect on the water sorption and dynamics
Abstract
A sequence of phases between structural phases in ALPO4-5, commencing from the 4-coordinated aluminum atoms (tetrahedra) in the bare crystal, up to the formation of 6-coordinated (octahedra), and 5-coordinated (bipyramids) aluminum atoms upon the progressive increase of the sorbate water loading, was identified by means of density functional theory calculations, combined with Rietveld refinement of our measured XRD patterns, and produced a...
Paper Details
Title
Identification of hydrated phases in ALPO4-5, and explanation of their effect on the water sorption and dynamics
Published Date
Jan 1, 2022
Volume
329
Pages
111501 - 111501
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