Thermal Transport and Energy Conversion in Thermoelectric Nanocomposite Materials

该奖项是根据2009年美国复苏和再投资法案（公法111-5）资助的。热电材料具有将废热直接转化为电能的潜力。纳米复合体热电材料可以快速、廉价地制造，并且与现有的热电器件结构兼容。不幸的是，现有的热电理论并不能正确地预测这种结构的热电性质，为了寻找高效率和低成本的最佳纳米结构，通常需要数百个样品的生长和测量。智力优势：本提案旨在发展预测热电纳米复合材料相关性能的能力。非平衡格林？S函数技术将用于解释声子和电子散射的自然耦合以及其他量子效应。晶体取向和应变等问题将被考虑在内，以确定它们对体热电性能的影响。模型预测将与合成纳米复合材料的热电性能测量进行比较，以优化材料的纳米尺度特征、材料组成、掺杂浓度和材料加工参数，以提高这种廉价热电材料的效率。更广泛的影响：开发高效、廉价的热电材料是大规模减少能源消耗和有害排放的关键。这项研究将被整合到俄克拉何马州立大学塔尔萨分校即将开发的新研究生课程中。本科生将参与研究。将与俄克拉何马州路易斯·斯托克斯联盟合作，从代表性不足的群体中招募学生。参加塔尔萨儿童学校的教育项目？为K12学生开设的博物馆。

0933763VashaeeThis award is funded under the American Recovery and Reinvestment Act of 2009 (Public Law 111-5).Thermoelectric materials have the potential to directly convert waste heat into electrical energy. Nanocomposite bulk thermoelectric materials can be fabricated quickly and inexpensively, and in a form that is compatible with existing thermoelectric device configurations. Unfortunately, existing theory of thermoelectricity is not able to predict correctly the thermoelectric properties of such structures, and often hundreds of samples might need to be grown and measured, in the quest to identify optimum nanostructures in terms of high efficiency and low cost.Intellectual Merit: This proposal aims to develop a capability to predict the relevant properties of thermoelectric nanocomposite materials. A nonequilibrium Green?s function technique will be developed to account for the natural coupling of scattering of phonons and electrons, as well as other quantum effects. Issues such as crystal orientation and strain will be accounted for to determine their effects on the bulk thermoelectric properties. Model predictions will be compared with measurements of thermoelectric properties of synthesized nanocomposites to optimize the nanoscale features of the material, the material composition, the doping concentration(s), and the material processing parameters to improve the efficiency of such inexpensive thermoelectric materials.Broader Impact: Development of highly efficient, inexpensive thermoelectric materials is a key to reduce both energy consumption and harmful emissions on a large scale. The research will be integrated into new graduate courses to be developed at Oklahoma State-Tulsa. Undergraduate students will be involved in the research. Recruitment of students from underrepresented groups in conjunction with the Oklahoma Louis Stokes Alliance will be pursued. Participation in an educational program at the Tulsa Children?s Museum for K12 students will occur.