Nanotechnology holds exciting promises – and challenges – for both basic science and industry. My research program at Georgia Tech aims at advancing the theory and computational methods necessary to understand and thus control complex and novel materials systems. The atomistic computations carried out in my lab can be used to achieve fundamental understanding of materials at length scales difficult to access experimentally. The outcomes of my basic research on materials are therefore crucial to guide experiments and speed-up discovery. At present, my research efforts are focused on advancing the basic understanding of (i) graphene derivatives, in particular graphene oxide and fluorinated graphene, (ii) porous composites of metallic and ceramic materials for energy applications, and (iii) biomolecules in aqueous solution. Recent results about the structure and chemistry of multilayer graphene oxide and the proton coupled electron transfer reaction at a metal-oxide interface will be presented and discussed in detail.
Prof. Andrew Lyon (404-894-8222)