NIRT: Nanostructured Bimetallic, Trimetallic and Core-Shell Fuel-Cell Catalysts with Controlled Size, Composition, and Morphology

提案编号：CBET-0709113主要研究者：钟传健单位： 纽约州立大学伯明翰分校的提案标题：NIRT：具有可控尺寸、组成和形态的纳米结构双金属、三金属和核壳燃料电池催化剂。活性纳米结构？通过设计、合成、建模、表征和优化多金属纳米颗粒用于燃料电池催化剂。多金属纳米颗粒为开发活性、耐用和低成本催化剂提供了先进的机会。一个主要的问题是缺乏在纳米尺度上控制尺寸、组成和形态的能力。拟议研究的目标是建立纳米结构参数（尺寸，形状，组成和形态）和催化性能（活性和稳定性）之间的基本相关性。我们的方法是多金属纳米颗粒的纳米工程，结合了活性增强，稳定性优化和成本降低的成分。本论文将合成、模拟和表征具有二元（M1 nM 2100-n）、三元（M1 nM 2 mM 3100-n-m）合金和核@壳（M1@M2）结构的纳米颗粒，这是一种重要的方法，因为多金属催化剂向实用燃料电池催化剂的发展需要对活性增强、稳定性优化和成本降低有一个平衡的理解，而现有的方法还没有解决这一问题。该研究将实现四个具体目标：（1）合成，表征和优化具有可控尺寸（1-10 nm），组成（例如，M1nM2100-n、M1nM2mM3100-n-m、M1@M2、MOx@M，其中M（1或2）= Pt、Co、Ni、V、Fe、Cu、Pd、W、Ag、Au等），和形态（例如，合金、芯@壳、形状等）; (2)评价多金属纳米粒子催化剂在燃料电池反应中的催化活性，了解催化活性与纳米结构参数之间的关系：（3）建立理论模型，预测和评价多金属纳米粒子和催化剂的结构相关性;以及（4）对所选催化剂进行催化剂活性-稳定性的优化分析和燃料电池测试，以确定耐久性和降解机理。有关的表面位点的协同活性和不同的金属或金属氧化物在纳米粒子的相对表面排列的基本问题将得到解决。多学科团队整合了PI/Co-PI在纳米工程、理论建模和性能测试方面的能力，包括化学系的钟教授专注于纳米颗粒合成和表征，系统科学与工业工程的陆教授专注于优化和可靠性评估，纽约州立大学机械工程系Sammakia教授专注于先进的表征和外展活动，以及化学系的王教授&南伊利诺伊大学生物化学专业，专注于纳米颗粒的理论建模。学术价值：在基础层面上，对具有协同活性和稳定性的多功能催化剂的设计和制造有着突出的需求。所提出的合成、加工、计算和优化方法有望为具有可控尺寸、组成和形态特性的纳米结构催化剂的催化提供实验、理论和工程见解。燃料电池技术将受到这些见解的有利影响。重要的是，这些方法和见解也将为许多研究人员理解和设计纳米结构催化剂提供有用的知识基础。更广泛的影响：拟议的研究计划包括纳米设计，化学合成，计算建模，优化分析，燃料电池技术，以及各种物理和化学测量。研究活动的范围是如此广泛和深入，这样一个纳米技术研究计划的实施，预计将开辟新的机会，在扩大纳米技术的跨学科探索。我们的校园和跨校园学习活动将纳米技术和燃料电池整合到化学和工程课程模块中，这些课程模块将吸引学生，包括本科生和高中生，在跨学科的学习环境中，在纳米技术要求苛刻的就业市场中具有竞争力。

Proposal Number: CBET-0709113Principal Investigator: Zhong, Chuan-JianAffiliation: SUNY at Birmingham Proposal Title: NIRT: Nanostructured Bimetallic, Trimetallic and Core-Shell Fuel-Cell Catalysts with Controlled Size, Composition, and MorphologyThis research program focuses on the topic area of ?Active Nanostructures? through design, synthesis, modeling, characterization, and optimization of multimetallic nanoparticles towards fuel-cell catalysts. Multimetallic nanoparticles promise advanced opportunities for the development of active, robust and low-cost catalysts. A major problem is the lack of the ability in controlling size, composition, and morphology at the nanoscale. The goal of the proposed research is to establish the fundamental correlation between the nanostructural parameters (size, shape, composition and morphology) and the catalytic properties (activity and stability). Our approach is nano-engineering of multimetallic nanoparticles with a combination of activity enhancing, stability-optimizing, and cost-reducing components. Nanoparticles with binary (M1nM2100-n), ternary (M1nM2mM3100-n-m) alloys, and core@shell (M1@M2) will be synthesized, modeled, and characterized.This approach is significant because the development of multimetallic catalysts towards practical fuel cell catalysts requires a balanced understanding of activity-enhancement, stability optimization and cost reduction, which has not been addressed by the existing approaches. The proposed research will accomplish four specific objectives:(1) to synthesize, characterize and optimize multimetallic nanoparticles and catalysts with controllable size (1-10 nm), composition (e.g., M1nM2100-n, M1nM2mM3100-n-m, M1@M2, MOx@M, where M (1 or 2) = Pt, Co, Ni, V, Fe, Cu, Pd, W, Ag, Au, etc.), and morphology (e.g., alloy, core@shell, shape, etc.);(2) to evaluate the catalytic activities of the multimetallic nanoparticle catalysts in fuel-cell reactions for understanding the relationships between the catalytic activity and the nanostructural parameters;(3) to develop theoretical models for predicting and assessing the structural correlation of the multimetallic nanoparticles and catalysts; and(4) to carry out optimization analysis of the catalyst activity-stability and fuel cell testing of selected catalysts to determine the durability and degradation mechanism. Fundamental questions concerning the synergistic activity of the surface sites and the relative surface arrangement of different metals or metal oxides in the nanoparticles will be addressed. The multidisciplinary team integrates the capabilities of PI/Co-PIs in nano-engineering, theoretical modeling and performance testing, including Prof. Zhong of the Department of Chemistry focusing on nanoparticle synthesis and characterization, Prof. Lu of Systems Science and Industrial Engineering focusing on optimization and reliability evaluation, Prof. Sammakia of Mechanical Engineering focusing on advanced characterizations and outreaching activities at State University of New York, and Prof. Wang of the Department of Chemistry & Biochemistry at Southern Illinois University focusing on theoretical modeling of the nanoparticles.The intellectual merit: At the fundamental level there is an outstanding need for the design and fabrication of multifunctional catalysts that exhibit synergistic activity and stability. The proposed approaches and methods in synthesis, processing, computation and optimization are expected to provide experimental, theoretical, and engineering insights into the catalysis of the nanostructured catalysts with controllable size, composition, and morphological properties. The fuel cell technology will be favorably impacted by such insights. Importantly, the methods and insights will also provide a useful knowledge base for many researchers in understanding and designing nanostructured catalysts.The broader impacts: The proposed research program encompasses nanoscale design, chemical synthesis, computational modeling, optimization analysis, fuel cell technology, and diverse physical and chemical measurements. The scope of the research activities is so broad and deep that the implementation of such a nanotechnology research program is expected to open up new opportunities in expanding the interdisciplinary explorations of nanotechnology. Our on-campus and cross-campus learning activities integrates nanotechnology and fuel cells into chemistry and engineering course modules that will be engage students, including undergraduate and high school students, in an interdisciplinary learning environment to become competitive in the nanotechnology-demanding job market.