Tonnam Balankura edited Introduction.tex  almost 9 years ago

Commit id: d3663df37c4c4ee06eea6a9538ba4319750c1e52

deletions | additions      

       

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 theatomic 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 mechanismof 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 synthesisusing 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.