Initial Structure Property Relationship
Long Term Goals
- Establish a data structure for the quantification of Poly-3-hexylthiophene (P3HT) thin film morphology
Data
- AFM <– Structure
- UV-Vis absorbance spectra
- Electrron Mobility <– Property
Thresholding to 1. Identify fibers
The thresholding post discusses our algorithm for finding the perfect thresholding value to isolate individual fibers. The following image shows a brief example of our work.
Spatial Statistics
##Work Flow: For each of the 16 stuctures:
- Created a binary image with thresholding (amorphous or crystaline fiber…no orientation information)
- Applied the SpatialStatsFFt Matlab function.
An exapmle of the above AFM image autocorrelation result: with a reasonable volume fraction of ~0.32
- Perform PCA using matlab functions.
An example of our sanity check:
Digging into the data a little bit: Here are the coefficients of the 1st PC
- Perform perliminary analysis of electron mobility and 1st PC scores.
What have we learned?
- Longer and wider fibers are favorable for charge transport
- More fibers are not necessarily a good thing if they are small and siconnected
Why this matters?
- co-solvent addition is scalable processing method to achieve better charge transport
- we should study how and why fibers space themselves out: what is happening in teh space between? can we achieve morphologies that explore this domain?