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12月26日美國普渡大學曾振華教授學術報告

發布于:2019/12/25

報告題目:第一性原理計算及材料基因組工程基礎上的燃料電池催化劑優化Computation Guided Optimization of Electrocatalysts for Proton-exchange membrane (PEM) Fuel Cells

主講人:曾振華 教授(美國普渡大學)

時間:2019年12月26日下午3:00

地點:機械與運載工程學院316報告廳

主講人簡介:曾振華博士為湖南大學應用物理專業1999級本科生,2003年免試推薦為湖南大學材料物理專業碩士生(導師為鄧輝球教授),2010年在中科院大連化物所獲博士學位(導師為李微雪研究員)。博士畢業后,先后在丹麥技術大學、美國阿貢國家實驗室和普渡大學進行燃料電池、電解中電催化機理、電催化劑表面與界面特性的第一性原理研究,取得了一系列創新性的研究成果,在Science、Nature Energy等國際著名學術刊物上發表多篇第一作者和通訊作者論文。

報告摘要: 本報告將主要介紹報告人所參與的美國能源部項目“第一性原理計算及材料基因組工程基礎上的燃料電池催化劑優化”的最新進展。本項目由美國能源部燃料電池基礎辦公室和3M公司共同資助,由3M公司、阿貢國家實驗室、橡樹嶺國家實驗室、約翰霍普金斯大學和普渡大學共同參與。項的目的是優化3M公司所開發的獨特納米結構基礎上的PtNi和PtNiIr氧還原催化劑(見下圖)。報告將介紹如何通過優化催化劑體相及表面組分及結構來顯著改善催化劑的本征活性和質量活性。本項目所優化的催化劑在商業全電池的性能已經全面超過美國能源部2020年目標。最后,報告人還將介紹最近啟動的豐田汽車(北美) 燃料電池項目以及初步進展,本項目的目的是通過基礎研究來發展新感念和方法,從而實現豐田汽車商用燃料電池中期(2030-2040)和長期(2040-)目標。







By May 14, 2019, thegreenhouse gasCO2 level in our atmosphere has hit the highest level ever recorded in the last 800,000 years — since before our human being evolved. The pressing climate change calls for a rapid shift of society from fossil fuel to clean energy, among which hydrogen energy is an important option to power our vehicles through fuel cells. One key barrier for the widespread adoption of fuel cell vehicles is the need for platinum-based catalysts and the sluggish oxygen reduction reaction (ORR) on the cathodes of proton-exchange membrane (PEM) fuel cells. Thus, it has been a long-standing goal to continually improve the efficiency of the ORR, and one promising approach is though computation guided optimization of electrocatalysts.

Inthis talk, I will review our recent effort toward computation guided optimization of ultrathin film (UTF) PtNi and PtNiIr oxygen reduction reaction electrocatalysts through first-principles based calculations: a joint project between 3M, Argonne National Laboratory, Oak Ridge National Laboratory, Johns Hopkins University and Purdue University that is supported by U.S. Department of Energy Fuel Cell Technologies Office. I will show that significant improvements in electrocatalyst mass and specific activities have been achieved through the optimization of electrocatalyst bulk and surface compositions and structures. Membrane electrode assemblies that incorporate UTF PtNi and PtNiIr cathode catalysts have demonstrated performance and durability which approach or exceed several U.S. Department of Energy 2020 performance, durability, and platinum group metal content targets.

If time permits, I will also introduce our recent effort toward computation guided optimization of the next-generation fuel cell electrocatalysts, i.e. Toyota 2030 and 2040 targets.

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