B. Haycock, M.K. Underwood, and J.P. Lewis, “High-Throughput Calculations of Alloyed Delafossite Materials: Application to CuGa1-xFexO2”, (2013 Submitted J. Comp. Phys.)
J. Lekse, B.Haycock, J. P. Lewis & C. Matranga,"The Effect of Electronic Structure Changes in NaInO2 and NaIn0.9Fe0.1O2 on the Photoreduction of Methylene Blue", in preparation, 2013
B. Haycock, D. G. Trabada, J. Ortega, J.D. O’Mahony, and J.P. Lewis, ”Metalization of the K-overlayer on the β-SiC(100) c(4X2) Surface,” J. Phys.: Condens. Matter 24 (2012) 485001
B. Haycock, D. G. Trabada, J. Ortega, J.D. O’Mahony, and J.P. Lewis, “Soft phonon effects on the electronic structure of the silicon-poor 3C-SiC(111) and 6H-SiC(0001) surfaces,” Phys. Rev. Lett. (In revision)
M.K. Underwood, B. Haycock, J. Lekse, C. Matranga, and J. P. Lewis†,* “Strain-Induced Photoabsorption in Transparent Conducting Oxide
CuGa1-xFexO2 Delafossites” 2013 (In preparation)
B. Haycock, J. Ortega, and Lewis, J. P. (2011), “Failure of potassium dimer formation on the β-SiC(100)-c(4 × 2) surface.” physica status solidi (b), 248: 2072–2075. doi: 10.1002/pssb.201147170
Lewis, J. P., Jelínek, P., Ortega, J., Demkov, A. A., Trabada, D. G., Haycock, B., Wang, H., Adams, G., Tomfohr, J. K., Abad, E., Wang, H. and Drabold, D. A. (2011), “Advances and applications in the FIREBALLab initio tight-binding molecular-dynamics formalism.” physica status solidi (b), 248: 1989–2007. doi: 10.1002/pssb.201147259
My work utilizes high-throughput computational techniques in order to explore the properties of nano materials and develop tools to facilitate non-experts, such as undergraduate physics students to do the same.
What this means is that we can make tools to be able to not only understand exotic materials, but to specifically design materials for unique application in future technologies.
For example, one study that was part of my Ph.D. study involved exploring the surface of silicon carbide, which may be used in future computing technologies ahead of silicon.
I was able to show that the atoms on the surface move too fast for our instruments to see, but yield an amazing effect whereby the surface acts like a metal. A really easy way to explain this is to watch the helicopter in this video (http://www.youtube.com/watch?v=qgvuQGY946g), which is clearly flying but we cannot see the motion of the propellers because the camera basically takes 24 still images a second, and the blade is in the same place for every still photo.
Precisely the same thing is happening on the silicon carbide surface- there is motion we cannot see and that leads to the electrons “flying” around, resulting in the previously unexplained behavior of the surface.
I currently spend the majority of my time studying delafossites for applications in “green technologies”.
There are 19K possible materials in this one family alone, and I develop tools and applications to both facilitate my study of the trends in this family so as a chemist can synthesize a material for a specific purpose and to assist graduate students and undergraduates to do the same.
Very recently, I have published a paper on these techniques and their application to a material that we predict can turn CO2 from industrial chimneys into methanol- which can in turn be used as a clean-burning car fuel.