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美国橡树岭国家实验室Dr. Cooper来材料学院学术报告
admin发表于: 2017-10-27 13:55  点击:


报告题目:Computational Design of Energy Relevant Materials
报 告 人:Dr. Valentino R. Cooper
                Oak Ridge National LaboratoryUSA 
主 持 人:张立军 教授
报告时间:2017年10月30日 10:00
主办单位:材料科学与工程学院  汽车材料教育部重点实验室
      摘要:Theory and computation are critical aspects of the materials discovery process. Electronic structure methods, such as density functional theory, excel at the characterization of macroscopic properties in materials that have yet to be realized. Modern sustainable energy requirements necessitate the design and discovery of advanced functional materials for the creation of energy sources either in the form of electricity or in a material that can be used as a fuel, storage of this energy or fuel and then ultimately conversion of this into work. In this presentation, I will discuss our recent work towards the discovery and understanding of energy relevant materials, particularly bifunctional catalysts (i.e. catalysts that can simultaneously accelerate the evolution and reduction of oxygen), advanced materials for the absorption of gases for applications such as carbon capture and hydrogen storage, and the discovery and design of Pb-free piezoelectrics (materials that convert mechanical stress into electrical current). Together, these examples illustrate a framework for accelerating the design and experimental realization of novel functional materials. This research was sponsored by the US DOE, Office of Science, BES, MSED and Early Career Research Programs. 
      Dr. Valentino R. Cooper is a research staff member in the Materials Theory Group in the Materials Sciences and Technology Division at Oak Ridge National Laboratory. He received his Ph. D from the Chemistry Department at the University of Pennsylvania in 2005. Prior to joining ORNL in 2008, he was a post-doctoral associate in the Physics Department of Rutgers University. His research focuses on electronic structure methods for understanding dispersion interactions and in the prediction of functional materials including piezoelectrics and ferroelectrics. Dr. Cooper is a 2013 recipient of the Department of Energy Early Career award.

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