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    A Study of Growth Mechanism of KDP and ADP Crystals by Means of Quantum Chemistry

    Access Status
    Fulltext not available
    Authors
    Asakuma, Y
    Li, Qin
    Ang, Ming
    Tade, Moses
    Maeda, K.
    Fukui, K.
    Date
    2008
    Type
    Journal Article
    
    Metadata
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    Citation
    Asakuma, Y. and Li, Q. and Ang, M. and Tade, M. and Maeda, K. and Fukui, K. 2008. A Study of Growth Mechanism of KDP and ADP Crystals by Means of Quantum Chemistry. Applied Surface Science. 254 (15): pp. 4524-4530.
    Source Title
    Applied Surface Science
    DOI
    10.1016/j.apsusc.2008.01.058
    ISSN
    01694332
    URI
    http://hdl.handle.net/20.500.11937/21797
    Collection
    • Curtin Research Publications
    Abstract

    Impurity adsorption, crystal growth by adsorption of growth unit and step-pinning mechanism of metal ion adsorption were investigated for potassium dihydrogen phosphate (KDP; KH2PO4) and ammonium dihydrogen phosphate (ADP; NH4H2PO4) by quantum chemistry. In this study, the ideal crystal morphologies, the growth unit and the crystal surface with and without metal ions were calculated and analyzed by using electrostatic property. It is found that the computational results based on electrostatic potential distribution can account for the observed behaviours on KDP and ADP crystal growth. PACS: 81.10.Dn

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