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Using the acid concentration and chain length as a tuning strategy in the hot injection synthesis, an experimental and theoretical analysis

Sofie Abé (UGent) , Richard Capek (UGent) , Bram De Geyter (UGent) and Zeger Hens (UGent)
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Abstract
Colloidal semiconductor nanocrystals have opto-electronic properties that strongly depend on their size, structure, shape, and composition. Providing a rational basis to further explore and understand how synthesis parameters affect these properties plays a key role for their application in optoelectronic devices, biomedicine etc. Various literature studies show that increasing the concentration of free acid or decreasing the precursor concentrations in the hot injection synthesis raises the diameter of the resulting nanocrystals. We analyze these reaction chemistry/nanocrystal property relations by combining reaction simulations with an experimental study on a particular CdSe synthesis. We find that increasing the free acid concentration has the same effect on a real synthesis as raising the solute solubility in the simulations and explain the increase of the nanocrystal size as resulting from an enhanced consumption of the solute by nanocrystal growth. Similarly, we address the effect of increasing precursor concentrations to an increasing monomer formation rate, which results in a higher nanocrystal concentration and therefore a smaller nanocrystal size. These links between simulation parameters and the composition of the reaction mixture are highly relevant especially in the context of reaction upscaling as it provides size-tuning strategies at almost full yield.

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Chicago
Abé, Sofie, Richard Capek, Bram De Geyter, and Zeger Hens. 2013. “Using the Acid Concentration and Chain Length as a Tuning Strategy in the Hot Injection Synthesis, an Experimental and Theoretical Analysis.” In NWO Study Group Physics and Materials Meeting, Abstracts.
APA
Abé, S., Capek, R., De Geyter, B., & Hens, Z. (2013). Using the acid concentration and chain length as a tuning strategy in the hot injection synthesis, an experimental and theoretical analysis. NWO Study Group Physics and Materials meeting, Abstracts. Presented at the NWO Study Group Physics and Materials meeting 2013 : Chemistry in relation to physics and material sciences.
Vancouver
1.
Abé S, Capek R, De Geyter B, Hens Z. Using the acid concentration and chain length as a tuning strategy in the hot injection synthesis, an experimental and theoretical analysis. NWO Study Group Physics and Materials meeting, Abstracts. 2013.
MLA
Abé, Sofie, Richard Capek, Bram De Geyter, et al. “Using the Acid Concentration and Chain Length as a Tuning Strategy in the Hot Injection Synthesis, an Experimental and Theoretical Analysis.” NWO Study Group Physics and Materials Meeting, Abstracts. 2013. Print.
@inproceedings{3203440,
  abstract     = {Colloidal semiconductor nanocrystals have opto-electronic properties that strongly depend on their size, structure, shape, and composition. Providing a rational basis to further explore and understand how synthesis parameters affect these properties plays a key role for their application in optoelectronic devices, biomedicine etc. Various literature studies show that increasing the concentration of free acid or decreasing the precursor concentrations in the hot injection synthesis raises the diameter of the resulting nanocrystals. We analyze these reaction chemistry/nanocrystal property relations by combining reaction simulations with an experimental study on a particular CdSe synthesis. We find that increasing the free acid concentration has the same effect on a real synthesis as raising the solute solubility in the simulations and explain the increase of the nanocrystal size as resulting from an enhanced consumption of the solute by nanocrystal growth. Similarly, we address the effect of increasing precursor concentrations to an increasing monomer formation rate, which results in a higher nanocrystal concentration and therefore a smaller nanocrystal size. These links between simulation parameters and the composition of the reaction mixture are highly relevant especially in the context of reaction upscaling as it provides size-tuning strategies at almost full yield.},
  author       = {Ab{\'e}, Sofie and Capek, Richard and De Geyter, Bram and Hens, Zeger},
  booktitle    = {NWO Study Group Physics and Materials meeting, Abstracts},
  language     = {eng},
  location     = {Veldhoven, The Netherlands},
  title        = {Using the acid concentration and chain length as a tuning strategy in the hot injection synthesis, an experimental and theoretical analysis},
  year         = {2013},
}