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Tonnam Balankura edited Introduction.tex
almost 9 years ago
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% However
However, previous work in the literature have not yet adequately addressed the mechanism of shape control in the solution phase.
% Gap in knowledge
Despite much excellent experimental and theoretical work, there is no quantitative evidence in
selective the facet
selective adsorption of structure-directing agents and their
influence role in shape control.
% Urgency
Yet, without Without such
an understanding, evidence, we are left with an incomplete description of the mechanism that creates the condition for ill-informed reaction engineering for scale-up.
To date, only a few syntheses have been scaled up to the gram-scale, and yet they still have poor quality control \cite{Jana_2005,Lohse_2013}.
% Hero narrative
This study will remedy this gap in the literature by
examining elucidating the
kinetics and the thermodynamics role of
the solution-phase nanocrystals synthesis in order to more fully elucidate the shape control mechanism. structure-directing agents using molecular dynamics simulation, in which explicit solvent is computationally feasible and observations in the atomic resolution can be made.
Using enhanced sampling methods, I will provide quantitative evidence that will support or refute the facet selective adsorption hypothesis and further examine its implications.