Polarization Mediated Atomic Interactions: Water and Pt on BaTiO3 (100)

极化介导的原子相互作用：BaTiO3 上的水和 Pt (100)

• 批准号: 1206563
• 负责人: Dawn Bonnell
• 金额: $ 44.27万
• 依托单位: University of Pennsylvania
• 依托单位国家: 美国
• 项目类别: Continuing Grant
• 财政年份: 2012
• 资助国家: 美国
• 起止时间: 2012-06-15 至 2016-08-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=1206563&HistoricalAwards=false
• 关键词: Polarization; Mediated; Atomic; Interactions; Water

NON TECHNICAL DESCRIPTION: Transition metal oxides represent a family of materials that is enabling new devices in applications ranging from solar cells to post CMOS electronics to communications systems to chemical catalysis. Ferroelectric compounds exhibit extreme properties related to electron spin, charge and polarization that suggest innovative pathways to some of these solutions. This project uses atomic resolution tools to determine the interactions of ferroelectric surfaces with molecules and metal clusters. Specifically, interactions of water and platinum with barium titanate are quantified. This research represents the first atomic level visualization of molecular interactions in this class of materials. A high school summer academy class in nanotechnology is offered to inspire interest in careers in science based fields and a leadership program for graduate students imparts the non-technical skills required in future leaders.TECHNICAL DETAILS: Ferroelectric compounds exhibit extreme properties related to electron spin, charge and polarization that have the potential to enable next generation devices in energy, nanoelectronics, and catalysis. This project uses scanning tunneling microscopy and spectroscopy in conjunction with other characterization tools to determine the mechanisms of molecular absorption on barium titanate (100) surfaces with and without metal clusters. The effect of Ti atomic coordination on water absorption is determined by comparing reactions on a series of surface reconstructions that vary in Ti concentration. The effect of polarization on reactions of water with Pt metal clusters is examined by comparing tunneling spectra over domains with different orientations with those of the clusters. Charge carriers that effect surface reactions are generated with optical illumination and the effect on water reactivity quantified. The results are compared to theoretical calculations in order to relate the local electronic structures to chemical interactions. The results inform advances in thin film growth, surface chemical reactivity and the physics of electronic polarization. A high school summer academy class in nanotechnology is class is offered to inspire interest in careers in science based fields and a leadership program for graduate students imparts the non technical skills required in future leaders.

非技术描述：过渡金属氧化物代表了一系列材料，这些材料使新器件能够应用于从太阳能电池到后CMOS电子器件到通信系统到化学催化的各种应用中。 铁电化合物表现出与电子自旋、电荷和极化相关的极端性质，这些性质为其中一些解决方案提供了创新途径。 本计画使用原子解析工具来确定铁电表面与分子及金属团簇的相互作用。具体地，水和铂与钛酸钡的相互作用被量化。 这项研究代表了这类材料中分子相互作用的第一个原子水平的可视化。 在纳米技术的高中暑期学院班提供激发兴趣的职业生涯在科学为基础的领域和领导力计划的研究生传授未来的领导者所需的非技术技能。技术专长：铁电化合物表现出极端的性质相关的电子自旋，电荷和极化，有潜力使下一代设备的能源，纳米电子学，和催化。 该项目使用扫描隧道显微镜和光谱与其他表征工具相结合，以确定钛酸钡（100）表面上的分子吸收机制，有和没有金属簇。 通过比较Ti浓度不同的一系列表面重建上的反应来确定Ti原子配位对水吸收的影响。 通过比较不同取向畴的隧穿谱和Pt金属团簇的隧穿谱，研究了极化对水与Pt金属团簇反应的影响。 影响表面反应的电荷载流子是用光学照明产生的，并且对水反应性的影响是量化的。 结果进行了比较，以与当地的电子结构的化学相互作用的理论计算。 结果通知在薄膜生长，表面化学反应性和电子极化的物理进展。 纳米技术的高中暑期学院课程旨在激发学生对科学领域职业的兴趣，研究生领导力课程传授未来领导者所需的非技术技能。