I am investigating the optical behavior of Au nanorods in solution, and I am finding it difficult to make sense of my transmission spectrum results.
Here is my simulation file:
Au_rod_kC2_water_mesh1nm_0 deg_Transmittance_r6_L30_orient0deg.fsp (314.7 KB)
Here is my transmission spectrum result:
Here is my transmission spectrum result, but converted to absorbance (A(λ) = -log10(-T(λ))):
Here are the experimental results which I am trying to get my simulation results to match (my simulation models a nanorod with dimensions matching those for experimental spectrum 3). These results are taken from Abidi et al. J. Phys. Chem. C 2010, 114, 14794-14803. DOI: 10.1021/jp104819c.
My spectra clearly look very different from those of Abidi et al. Large ripples obscure my peaks, and my long-wavelength peaks are shifted too far to the right. I have two questions.
What could be causing the ripple-like features in my T spectrum (and how could I remove them)?
Does anyone have any suggestions for why my peak positions are off? I’m not looking for someone to solve my problem for me - I’m looking to learn from whatever mistakes I’ve made here so I don’t make them again in future simulations. I have tried shrinking the mesh cell size, but that has not made much difference.
I understand that I could somewhat bypass this problem by using Power Absorbed Monitors, but my project calls for me specifically collect transmission data, so I would prefer to convert T to Absorbance, rather than measuring Absorbance directly.
Thanks for all your help.