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首页> 外文会议>Colloidal quantum dots for biomedical applications V >Interactions between a colloidal CdTe quantum dot and distinct functionalizer compounds
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Interactions between a colloidal CdTe quantum dot and distinct functionalizer compounds

机译：胶态CdTe量子点与不同功能化剂化合物之间的相互作用

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摘要

This works deals with the use of quantum chemical calculations in order to investigate the interaction between cadmium telluride quantum dot (CdTe) and the following functionalizers: mecapto acetic acid (MAA), mercaptopropionic acid (MPA) and cysteine (CYS). This interaction between the quantum dot and each functionalizer was quantified by an energy value resulting from theoretical calculations. Interesting features relating this theoretical energy and the experimental results related to stability of these systems were found. The passivation of the CdTe core generating a CdS shell was also considered in the calculations.
机译：这项工作涉及使用量子化学计算，以研究碲化镉量子点（CdTe）与以下功能化剂之间的相互作用：巯基乙酸（MAA），巯基丙酸（MPA）和半胱氨酸（CYS）。量子点与每个官能化剂之间的相互作用通过理论计算得出的能量值进行量化。发现了与该理论能量有关的有趣特征以及与这些系统的稳定性有关的实验结果。计算中还考虑了生成CdS壳的CdTe核心的钝化。

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  • 来源
  • 会议地点 San Francisco CA(US)
  • 作者

    E. S. Leite; J. Sousa; A. G. B. Junior; K. H. G. Carvalho; A. Fontes; P. M. A. Farias; B. S. Santos;

  • 作者单位

    Research Group on Nanostructures and Biological Interfaces, UFPE/CNPq, Recife, PE, Brazil Chemical Engineering Dept, CTG-UFPE, 50740-521, Recife, PE, Brazil;

    Federal University of Ceara, UECE, Fortaleza, CE, Brazil;

    Research Group on Nanostructures and Biological Interfaces, UFPE/CNPq, Recife, PE, Brazil Pharmaceutical Sciences Dept., CCS-UFPE, 50670-901, Recife, PE, Brazil;

    Research Group on Nanostructures and Biological Interfaces, UFPE/CNPq, Recife, PE, Brazil Pharmaceutical Sciences Dept., CCS-UFPE, 50670-901, Recife, PE, Brazil;

    Research Group on Nanostructures and Biological Interfaces, UFPE/CNPq, Recife, PE, Brazil Biophysics Dept., CCB-UFPE, 50670-901, Recife, PE, Brazil;

    Research Group on Nanostructures and Biological Interfaces, UFPE/CNPq, Recife, PE, Brazil Biophysics Dept., CCB-UFPE;

  • 会议组织
  • 原文格式 PDF
  • 正文语种 eng
  • 中图分类 医用物理学;
  • 关键词

    quantum dot functionalization molecular modeling complexation energy;

    机译：量子点功能化分子模拟络合能;

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