摘要
A novel method was proposed to calculate the crystal morphology (or growth habit) on the basis of chemical bond analysis. All constituent chemical bonds were distinguished as relevant and independent bonds according to their variations during the crystallization process. By employing the current method, the influence of specific growth conditions on the crystal morphology can be considered in the structure analysis process. The ideal morphologies of both KDP (KH2PO4) and ADP (NH4H2PO4) crystals were calculated and compared with our obtained crystallites at room temperature, which validates the present calculation method very well.
基金
Project supported by the National Natural Science Foundation of China (20471012), Foundation for the Author of National Excellent Doctoral Dissertation of China (200322), Research Fund for the Doctoral Program of Higher Education (20040141004) and Scientific Research Foundation for the Returned Overseas Chinese Scholars, State Education Ministry
