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Tonnam Balankura edited Introduction.tex
almost 9 years ago
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Theorists address this important question using techniques such as density functional theory \cite{Kilin_2008,Al_Saidi_2012,Saidi_2013,Zhang_2008} and molecular dynamics \cite{Zhou_2014}.
% However
However, previous work in the literature have not yet adequately addressed the
atomic scale mechanism of shape control in the solution phase.
% Gap in knowledge
Despite much excellent experimental and theoretical work,
theorists examining the mechanism have not yet explored the influence there is no quantitative evidence in selective facet adsorption of
the solution phase structure-directing agents and their influence in
growing nanocrystals with well-defined shapes. shape control.
% Urgency
Yet, without such an understanding, we are left with an incomplete description of the mechanism
of shape control 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
how shape control is achieved in the kinetics and the thermodynamics of the solution-phase nanocrystals synthesis
using molecular dynamics simulation, in which explicit solvent is computationally feasible and observations in
order to more fully elucidate the
atomic resolution can be made. shape control mechanism.
using molecular dynamics simulation, in which explicit solvent is computationally feasible and observations in the atomic resolution can be made.