Business card Dr. Samuel Hall

Dr. Samuel Hall

My background and interests are in computational spectroscopic simulations, mainly x-ray photoelectron spectroscopy, (XPS) and x-ray absorption spectroscopy (XAS). I specialise in using density functional theory (DFT) in order to calculate core-level spectroscopy of metal-organic interfaces. These types of spectra can often consist of overlapping features and significant broadening, making interpretation difficult. Through the use of first-principle simulations, I have been able to decompose spectra in terms of both atomic contributions and molecular orbital contributions. I have also looked into characterising how the interaction between the molecule and the metal surface changes spectra and highlighting how the different levels of interaction change spectra.

For more information please visit my website: sam-j-hall.github.io