Iridium-Based Alloys as Alternative Catalysts for Ethanol Oxidation Fuel Cell Reactions: Experimental and First Principles-based Investigation

铱基合金作为乙醇氧化燃料电池反应的替代催化剂：实验和基于第一原理的研究

• 批准号: 1159662
• 负责人: Xiaowei Teng
• 金额: $ 57.28万
• 依托单位: University of New Hampshire
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 2012
• 资助国家: 美国
• 起止时间: 2012-09-01 至 2016-08-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=1159662&HistoricalAwards=false
• 关键词: Iridium; Based; Alloys; Alternative; Catalysts

CBET-1159662Teng, XiaoweiTechnical impacts:The aim of this investigation is to develop and use fundamental understanding of the structure electroactivity relationship to drive research in devising highly active and efficient anode catalysts for direct ethanol fuel cell reactions. Ethanol is a promising fuel in power technologies due to its high energy density, low toxicity, and availability from sources including biomass. The current platinum-based catalysts offer slow kinetics and inefficient electro-oxidation selectivity. The PIs propose to study iridium-based anode catalysts to improve the efficiency of the oxidation of ethanol to carbon dioxide. The impetus for iridium is some very preliminary indications that iridium will offer superior activity and selectivity in comparison to platinum. It is known that iridium will be more active than platinum for carbon-carbon bond breaking, and may therefore lead to improved activity for oxidation. Depending on the relative performance, the results will feed the modeling work. This work then will perhaps offer an improved choice relative to platinum and iridium, as these are rare and expensive elements. The fundamental science to be developed is the key technical gain for this effort. Broader impacts: Replacing platinum with an alternative, more efficient anode nanocatalyst is likely to have a significant impact on direct ethanol fuel cell technology. This technology is one of several that support the nation's effort to diversify its energy supply portfolio. This is a cross-disciplinary effort which joins material science, electrochemistry, and catalysis in the fuel cell studies. Students will have the opportunity to learn something of each of these disciplines, and will also receive direct training at national laboratory facilities. In addition to these excellent training opportunities for graduate and undergraduate students, the PI intends to utilize two programs available to him on the campus of University of New Hampshire. These are the Summer Undergraduate Research Fellowship and Research Experience and Apprenticeship Program, and the University of New Hampshire Science and Mathematics Achievement through Research Training Project. Both emphasize exposure, training, and recruiting of under-represented students. This award is being made to Professors Xiaowei Teng from the University of New Hampshire, Nathaniel Deskins from Worcester Polytechnic Institute, and Anatoly Frenkel from Yeshiva University, New York. The proposal is of special interest from a technical point of view as it combines computation, synthesis, and fuel cell performance measurements in a nice package. The students will carry out electro-catalysis experimentation and then use results combined with computational studies to direct their further synthesis experiments. As such, it is a collaborative effort, requiring all three investigators in order to offer the disciplinary breadth required by this project. As further demonstration of the collaborative nature of this proposal, the PI intends to employ beamline time at Brookhaven National Laboratory. Students will thus learn these techniques in addition to the standard laboratory procedures, and will understand how and where National Laboratory facilities fit into their future research plans.

CBET-1159662 Teng，Xiaowei技术影响：本研究的目的是开发和使用对结构电活性关系的基本理解，以推动设计用于直接乙醇燃料电池反应的高活性和高效阳极催化剂的研究。乙醇由于其高能量密度、低毒性和可从包括生物质在内的来源获得，是动力技术中有前途的燃料。目前的铂基催化剂提供缓慢的动力学和低效的电氧化选择性。PI建议研究铱基阳极催化剂，以提高乙醇氧化为二氧化碳的效率。对铱的推动力是一些非常初步的迹象表明，与铂相比，铱将提供优越的上级活性和选择性。已知对于碳-碳键断裂，铱将比铂更有活性，并且因此可导致改进的氧化活性。根据相对性能，结果将用于建模工作。这项工作可能会提供一个相对于铂和铱的更好的选择，因为这些都是稀有和昂贵的元素。有待发展的基础科学是这项努力的关键技术成果。更广泛的影响：用一种替代的、更有效的阳极纳米催化剂取代铂可能会对直接乙醇燃料电池技术产生重大影响。这项技术是支持国家努力实现能源供应多样化的几项技术之一。这是一个跨学科的努力，加入材料科学，电化学和催化在燃料电池的研究。学生将有机会学习这些学科中的每一个，也将在国家实验室设施接受直接培训。除了为研究生和本科生提供这些极好的培训机会外，PI还打算利用新罕布什尔州大学校园内提供给他的两个项目。这些是夏季本科生研究奖学金和研究经验和学徒计划，以及新罕布什尔州科学和数学成就通过研究培训项目的大学。两者都强调曝光，培训和招募代表性不足的学生。该奖项授予来自新罕布什尔州的滕晓伟教授、伍斯特理工学院的Nathaniel Deskins教授和纽约叶史瓦大学的Anatoly Frenkel教授。从技术角度来看，该提案特别有趣，因为它将计算，合成和燃料电池性能测量结合在一个漂亮的软件包中。学生将进行电催化实验，然后利用结果与计算研究相结合来指导进一步的合成实验。因此，这是一项合作努力，需要所有三名调查员，以提供该项目所需的学科广度。 为了进一步证明这一提议的合作性质，PI打算在布鲁克海文国家实验室采用光束线时间。因此，学生将学习这些技术，除了标准的实验室程序，并将了解如何以及在哪里国家实验室设施适合他们未来的研究计划。

项目成果

Screening iridium-based bimetallic alloys as catalysts for direct ethanol fuel cells

筛选铱基双金属合金作为直接乙醇燃料电池的催化剂

• DOI: 10.1016/j.apcata.2014.06.029
• 发表时间: 2014
• 期刊: Applied Catalysis A: General
• 作者: Courtois, Julien;Du, Wenxin;Wong, Emily;Teng, Xiaowei;Deskins, N. Aaron
• 通讯作者: Deskins, N. Aaron