Sodium-Citrate-Assisted Synthesis of Aqueous CdTe Nanocrystals: Giving New Insight into the Effect of Ligand Shell
Sodium-Citrate-Assisted Synthesis of Aqueous CdTe Nanocrystals: Giving New Insight into the Effect of Ligand Shell
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DOI：
10.1021/jp8088897
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发表时间：
2009-01
影响因子：
3.7
通讯作者：
Chunlei Wang;Hao Zhang;Shuhong Xu;Nana Lv;Yi Liu;Minjie Li;Haizhu Sun;Junhu Zhang;Bai Yang
中科院分区：
文献类型：
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作者：
Chunlei Wang;Hao Zhang;Shuhong Xu;Nana Lv;Yi Liu;Minjie Li;Haizhu Sun;Junhu Zhang;Bai Yang
本文从实验和理论计算两个方面研究了配体壳层在水溶液中CdTe纳米晶生长过程中的作用。实验上，我们开发了一种柠檬酸钠辅助制备水相CdTe纳米粒子的新方法，突破了传统水相合成中硫醇/镉比（1.2：1）的限制，实现了硫醇/镉比在0.1：1 ~ 2.4：1范围内的可调。在柠檬酸钠（SC）存在下的CdTe纳米粒子的研究的基础上，证实了配体壳层控制了纳米粒子的生长速率和光致发光量子产率（PL QYs）。理论上，根据绝对速率理论（ART），纳米碳的生长速率由反应温度、活化能和Te浓度决定。用Gaussian 03程序MP2/Lanl 2DZ对NC生长过程进行了理论模拟，结果表明配体壳层的性质对NC生长的活性影响很大。
We report a protocol for investigating the effect of the ligand shell in the growth process of aqueous CdTe nanocrystals (NCs) from the viewpoint of both experiment and theoretical calculation. Experimentally we develop a new method of sodium-citrate-assisted preparation of aqueous CdTe NCs, which breaks through the restriction of thiol/Cd ratio (1.2:1) in conventional aqueous synthesis and realizes the extensive tunability of the thiol/Cd ratios from 0.1:1 to 2.4:1. On the basis of the investigation of CdTe NCs in the presence of sodium citrate (SC), the ligand shell is confirmed to control both the growth rates and the photoluminescence quantum yields (PL QYs) of aqueous NCs. Theoretically, according to the absolute rate theory (ART), the growth rates of NCs are determined by the reaction temperature, activation energy, and concentration of Te. Theoretical simulation of the NC growth process by MP2/Lanl2DZ in the Gaussian 03 program indicates that the nature of the ligand shell greatly affects the activ...