A Study of Growth Mechanism of KDP and ADP Crystals by Means of Quantum Chemistry
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...
| Main Authors: | , , , , , |
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| Other Authors: | |
| Format: | Journal Article |
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Elsevier BV North-Holland
2008
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| Online Access: | http://hdl.handle.net/20.500.11937/21797 |
| _version_ | 1848750690618310656 |
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| author | Asakuma, Y Li, Qin Ang, Ming Tade, Moses Maeda, K. Fukui, K. |
| author2 | Russell Scott |
| author_facet | Russell Scott Asakuma, Y Li, Qin Ang, Ming Tade, Moses Maeda, K. Fukui, K. |
| author_sort | Asakuma, Y |
| building | Curtin Institutional Repository |
| collection | Online Access |
| description | 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 |
| first_indexed | 2025-11-14T07:40:51Z |
| format | Journal Article |
| id | curtin-20.500.11937-21797 |
| institution | Curtin University Malaysia |
| institution_category | Local University |
| last_indexed | 2025-11-14T07:40:51Z |
| publishDate | 2008 |
| publisher | Elsevier BV North-Holland |
| recordtype | eprints |
| repository_type | Digital Repository |
| spelling | curtin-20.500.11937-217972017-09-13T13:52:23Z A Study of Growth Mechanism of KDP and ADP Crystals by Means of Quantum Chemistry Asakuma, Y Li, Qin Ang, Ming Tade, Moses Maeda, K. Fukui, K. Russell Scott 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 2008 Journal Article http://hdl.handle.net/20.500.11937/21797 10.1016/j.apsusc.2008.01.058 Elsevier BV North-Holland restricted |
| spellingShingle | Asakuma, Y Li, Qin Ang, Ming Tade, Moses Maeda, K. Fukui, K. A Study of Growth Mechanism of KDP and ADP Crystals by Means of Quantum Chemistry |
| title | A Study of Growth Mechanism of KDP and ADP Crystals by Means of Quantum Chemistry |
| title_full | A Study of Growth Mechanism of KDP and ADP Crystals by Means of Quantum Chemistry |
| title_fullStr | A Study of Growth Mechanism of KDP and ADP Crystals by Means of Quantum Chemistry |
| title_full_unstemmed | A Study of Growth Mechanism of KDP and ADP Crystals by Means of Quantum Chemistry |
| title_short | A Study of Growth Mechanism of KDP and ADP Crystals by Means of Quantum Chemistry |
| title_sort | study of growth mechanism of kdp and adp crystals by means of quantum chemistry |
| url | http://hdl.handle.net/20.500.11937/21797 |