Skip to main content

MultiScale Material Science for Energy and Environment

Logo MultiScale Material Science

MultiScale Materials Science for Energy and Environment

  • Home
  • The Lab
  • People
  • Publications
  • News / Events
  • GDRI
  • Home
  • The Lab
    • The Lab
    • Research
    • Education
    • Amazing People
    • Contact
  • People
  • Publications
  • News / Events
    • News
    • Seminars
    • Conferences
    • Winter School
  • GDRI
    • Presentation

Mechanism of H2O Insertion and Chemical Bond Formation in AlPO 4-54·x H2O at High Pressure

TitleMechanism of H2O Insertion and Chemical Bond Formation in AlPO 4-54·x H2O at High Pressure
Publication TypeJournal Article
Year of Publication2015
AuthorsAlabarse FG, Rouquette J, Coasne BA, Haidoux A, Paulmann C, Cambon O, Haines J
JournalJournal of the American Chemical Society
Volume137
Issue2
Pagination584 - 587
Date PublishedJan-21-2015
ISSN0002-7863
Abstract

The insertion of H2O in AlPO4-54•xH2O at high pressure was investigated by single-crystal x-ray diffraction and Monte Carlo molecular simulation. H2O molecules are concentrated, in particular near the pore walls. Upon insertion, the additional water is highly disordered. Insertion of H2O (superhydration) is found to impede pore collapse in the material, thereby strongly modifying its mechanical behavior. However, instead of stabilizing the structure with respect to amorphization, the results provide evidence for the early stages of chemical bond formation between H2O molecules and tetrahedrally coordinated aluminum, which is at the origin of the amorphization/reaction process.

DOI10.1021/ja511153n
Short TitleJ. Am. Chem. Soc.
  • DOI
  • BibTex
  • RIS

Login using Touchstone
  • MIT
  • CNRS
  • INVESTISSEMENT D'AVENIR
  • CINAM
  • MITEI
  • AMU