STI学术报告:Multiscale Modeling of Materials for Renewable Energy Applications

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报告人:Prof. Lu Gang(California State University, Northridge)

报告时间:2015年6月29日上午10:30

报告地点:beat365体育官方网站新楼多功能厅

摘要:In this talk, Prof. Lu will give an overview of research in his group on renewable energy applications, covering three areas, from photovoltaics, to stress-controlled catalysis and plasmonics. For organic photovoltaics, they have developed first-principles based multiscale approaches to predict carrier mobility and exciton diffusion in disordered organic materials. For emerging perovskite-based photovoltaics, they have developed an efficient time-dependent density functional theory (TD-DFT) method to examine the dissociation of charge-transfer excitons at perovskite-TiO2 interface. In terms of catalysis, they utilize the recently developed multiscale QM/MM method to understand stress-controlled catalysis on core/shell nanoparticles and nanowires for oxygen reduction and CO2 photo-electro-reduction reaction, respectively. Finally, if time allows, he will touch upon their recent development of time-dependent orbital-free DFT method which allows us to study plasmonic resonances of metallic nanostructures in large length-scales that are relevant to experiments.

Bio: Prof. Lu received his Ph. D from Chinese Academy of Sciences while most of his Ph. D work was carried out in his current institution (Cal State Northridge). After a postdoc appointment at Harvard, Dr. Lu returned to CSUN as a faculty member in 2004 and was promoted to a full professor in 2009. He is the director of NSF-funded PREM center at CSUN and the founding director of the Center of Excellence in Materials Innovation at CSUN. Dr. Lu spends significant effort in developing multiscale computational methods and has applied these methods to various materials problems. Some of the problems relevant to energy applications will be highlighted in the talk


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