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

项目编号：cbet -0709113项目负责人：钟传建合作单位：纽约州立大学伯明翰分校项目名称：NIRT：纳米结构双金属、三金属和核壳燃料电池催化剂的尺寸、组成和形态控制活跃的纳米结构?通过设计、合成、建模、表征和优化用于燃料电池催化剂的多金属纳米颗粒。多金属纳米颗粒有望为开发活性、强效和低成本的催化剂提供先进的机会。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。提出的研究目标是建立纳米结构参数（尺寸，形状，组成和形态）与催化性能（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，结合了增强活性、优化稳定性和降低成本的成分。纳米颗粒的二元（M1nM2100-n），三元（M1nM2mM3100-n-m）合金，和core@shell （M1@M2）将被合成，建模和表征。这种方法意义重大，因为多金属催化剂向实用燃料电池催化剂的发展需要平衡地理解活性增强、稳定性优化和成本降低，而现有方法尚未解决这些问题。本研究将完成四个具体目标：(1)合成、表征和优化具有可控尺寸（1-10 nm）、组成（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）和形貌（如合金、core@shell、形状等）的多金属纳米颗粒和催化剂；(2)评价多金属纳米颗粒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)建立预测和评估多金属纳米颗粒与催化剂结构相关性的理论模型；(4)对催化剂的活性稳定性进行优化分析，并对所选催化剂进行燃料电池测试，确定其耐久性和降解机理。关于表面位点的协同活性和不同金属或金属氧化物在纳米颗粒中的相对表面排列的基本问题将被解决。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Zhong教授专注于纳米颗粒合成和表征，系统科学和工业工程的Lu教授专注于优化和可靠性评估，机械工程的Sammakia教授专注于高级表征和外展活动。以及南伊利诺伊大学化学与生物化学系的王教授，专注于纳米颗粒的理论建模。智力优势：在基础水平上，设计和制造具有协同活性和稳定性的多功能催化剂是一个突出的需求。所提出的合成、加工、计算和优化的方法有望为具有可控尺寸、组成和形态性质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积极影响。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：提议的研究项目包括纳米级设计、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，因此，这样一个纳米技术研究计划的实施，有望为扩大纳米技术的跨学科探索开辟新的机会。我们的校内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，这将吸引学生，包括本科生和高中生，在一个跨学科的学习环境中，使他们在纳米技术要求高的就业市场上具有竞争力。

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.