Presenter: Prof. Jose Mendoza (Florida State University)
Topic:Density Functional Theory and its Applications to Clean and Sustainable Energy:Towards
the Carbon Neutral Holy Grail
Time: 02:00PM, April 20th (Wednesday)
Location: Conference Room G, BLDG 909
Abstract
Computationalchemistry and materials science algorithms are now powerful enough that theycan predict many properties of materials and molecules before they aresynthesized. By implementing and developing new approaches to calculatematerials and chemical properties in supercomputers, we have predicted over100,000 materials for energy storage and catalysis. The computations predictedseveral new materials which were made and tested in the lab, leading to thediscovery and development of five new materials that overcome the DOE-targetsfor methane and molecular hydrogen storage as well as new mechanistic insightsallowing to design better catalysis. The intend of all this work is towardsdeveloping an alternative way to generate and tore energy; i.e. conversion ofsunlight into chemical fuels.
Our approach isthus inspired in Nature, where sunlight, water, and carbon dioxide is convertedo chemical fuels called carbohydrates. However, we intend to convert sunlightand water into nother fuel called molecular hydrogen. The advantage of“burning" molecular hydrogen is that it can generate electricity and asonly side product is water vapor. Thus we can close the cycle and approach acarbon neutral source of energy and storage that can restored. In a recenteffort to close the loop towards a possible sustainable and clean energy, wefound a new strategy for tuning the band gap of layered materials to capturelight which may couple to its intrinsic water-splitting catalytic properties,thus resembling photosynthesis. What this means is that we can capture sunlighteffectively with abundant and cheap elements, which is also good at convertingwater into molecular Hydrogen and Oxygen. This is a promising building block tomake the entire process sustainable.
Our ultimategoal is to use sunlight, water and carbon dioxide and generate chemical fuelseasier to handle such as methanol or ethanol. We will present our first effortsdone in this direction.
Biography
2014 PDF, University of California,Berkeley/Berkeley Lab
2013 Staff Scientist, California Institute ofTechnology
2012 Ph.D., California Institute of Technology
2010 M.Sc., California Institute of Technology
2008 B.Sc., Tecnologico de Monterrey (ITESM)
2006-2008 B.Sc.Int., University of California, LosAngeles
联系人：李有勇
(责任编辑：李有勇 联系方式：yyli@suda.edu.cn)
