中研院原分所演講公告
Speaker: Dr. David S. Ginley (National Renewable Energy Laboratory, USA)
MnO2 is a prototypical representative of many important energy materials in that it has a variety of polymorphs with very different functionality. A key question is how to synthetically target a particular functional polymorph. For example some of the key members of the MnO2 family can have very diverse functionality from energy storage to catalysis and water purification. Recently we have examined this family of structures computationally both to understand the degree of metastability and the functionality of various polymorphs some of which include Pyrochroite, Hausmannite, Feitknechtite, Birnessite, Todorokite and related structures. More importantly we have begun to computational model the synthesis phase space for the direct synthesis and interconversion of these phases. A number of key factors including the pH, radius for nucleation and the chemical potential of added ions such as Na have been identified as the key determinates in the hydrothermal synthesis of these phases and the computational modeling has reached the point of being predictive. These factors describe a three dimensional synthesis space identify a synthesis regieme for targeting a particular phase. This has been successfully utilized both for known phases as well as new phases. We will report on this critical evolving coupling between predictive computation for identifying new materials and then realizing their synthesis through defining an accessible synthesis environment.
This work was supported as part of the Center for Next Generation Materials Design: Incorporating Metastability, an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science, Basic Energy Sciences under Award # DE-AC36-08GO28308
Brief Bio:
Dr. David S. Ginley is currently Chief Scientist for Materials and Chemistry Science and Technology and a Research Fellow at the National Renewable Energy Laboratory. He received his PhD in Inorganic Chemistry from MIT and his BS in Chemistry from the Colorado School of Mines. He directs the Solar Energy Center for India and the US (SERIIUS) and is chief experimentalist for the EFRC Center for Next Generation Materials by Design. Current work focuses on advancing solar energy conversion and storage specifically in the areas development and application of new materials by computational materials design in the areas of transparent conducting oxides, organic electronics materials, nano-materials and the development of process technology for materials and device development including; combinatorial methods, direct write materials, composite materials and non-vacuum processing. A key focus is looking at how to significantly reduce the cost of solar generated renewable energy through novel devices and processing. He has over 400 publications and 40 patents.