Synthesis, Characterization and Chemistry of Model Gamma Alumina Heterogeneous Catalysts

美国国家科学基金会化学催化项目支持Judith C. Yang教授的努力，将实验研究与第一性原理理论模拟相关联，以发展对基于铂/ γ -氧化铝（Pt/ γ - al2o3）的原型系统的结构/化学性质关系的基本理解。Pt/ γ - al2o3是一种重要的非均相催化剂体系，广泛应用于炼油、催化转化器和燃料电池等领域。虽然对该系统有很多了解，但实验和理论之间存在重大差距，因为商业上可用的γ -氧化铝是多晶的，具有不明确的形态，晶体学和杂质。为了弥补这一差距，杨的研究小组优化了单晶镍铝的氧化条件，以生产出相当平坦、无缺陷、几十纳米厚的单晶γ - al2o3薄膜（块状）。布鲁克海文国家实验室功能纳米材料中心的尖端设备完成了气体环境下尺寸、形态、切面、分散和界面以及电子和化学状态的表征。实验数据与理论模型的直接比较是通过与博士合作完成的。王琳琳和杜安·约翰逊（艾姆斯实验室和爱荷华州立大学）。该研究项目通过结合大学和国家实验室的学习机会和合作，使研究生接触到前沿的研究环境。本科生也在团队环境中接受指导。最后，杨教授通过与宾夕法尼亚青年科学院和材料研究协会合作，服务并参与当地社区。

The NSF Chemical Catalysis Program supports the efforts of Professor Judith C. Yang to correlate experimental studies with first principles theoretical simulations in developing a fundamental understanding of the structure/chemical property relationship of a prototypical system based on platinum/gamma-alumina (Pt/gamma-Al2O3). Pt/gamma-Al2O3 is an important heterogeneous catalysts system used in oil refining, catalytic converters, and fuel cells. While much is known about the system, a significant gap exists between experiment and theory because commercially-available gamma-alumina is polycrystalline with ill-defined morphologies, crystallography and impurities. To bridge the gap, Yang's research group optimizes the oxidation conditions of single crystal nickel aluminum to produce reasonably flat, defect-free, single crystal gamma-Al2O3 films that are tens of nanometers thick (bulk-like). The characterization of size, morphologies, facets, dispersion and interfaces as well as electronic and chemical states under gas environments is accomplished by using the cutting-edge facilities at the Center for Functional Nanomaterials at Brookhaven National Laboratory. Direct comparison of the experimental data with theoretical modeling is accomplished through collaboration with Drs. Linlin Wang and Duane Johnson (Ames Laboratory and Iowa State University). This research project exposes graduate students to cutting edge research environments through combined university and national laboratory learning opportunities and collaborations. Undergraduates are also mentored in a team environment. Finally, Professor Yang serves and engages the local community via collaborations with the Pennsylvania Junior Academy of Science and the Materials Research Society.