Tonnam Balankura edited Introduction.tex  almost 9 years ago

Commit id: 6c4b751a98b918efc5332da881d78c38de757b45

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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.