CSUSB Center for Materials Science

在美国国家科学基金会的支持下，为了响应全球竞争力材料基因组计划，加州州立大学圣贝纳迪诺将建立一个材料科学中心，以开发和研究新的有机铁电材料。虽然无机和有机聚合物铁电材料被广泛使用，但有机单分子铁电体具有未开发的潜在环境友好材料，具有上级活性。许多已知的铁电体在应用方面都存在缺点，例如成本、毒性或有限的电子性能。虽然应用并不是中心项目的主要目标，但计算模型和实验结果应被证明是设计具有理想性能的材料的宝贵工具。该中心由一个学科多元化的研究团队组成，其共同目标是开发和研究新的有机铁电材料，同时加强伙伴机构之间的积极研究合作和人员交流。该中心对新的有机铁电体的系统研究依赖于三个不同领域的子项目团队：（1）理论和计算;（2）合成和结构;（3）实验研究。在理论/计算子项目中，晶体学数据库，第一原理计算和基于经验的直觉将用于预测可能的候选人。合成/结构团队将制备有机化合物，生长薄膜，并探索晶体材料的多晶型行为。 然后，实验研究小组将通过实验确定铁电和相关的压电特性，作为温度、压力、膜厚度和成分的函数。这些结果将在后续迭代中用于预测下一组铁电候选者。铁电性和与之密切相关的特性材料的压电性、热电性、非线性和高介电常数特性在极其广泛的领域具有广泛的影响。其中包括：科学仪器、消费品、国防、医疗设备、能量收集、能量存储、机器人和航空航天。这些应用程序代表了数十亿美元的经济和许多高科技工作。凭借其众多的应用，这项研究提供了一个很好的切入点，以吸引，然后留住，鼓励和激励学生，包括代表性不足的学生。用更环境友好的有机材料取代环境不友好的材料，如主要的压电材料之一，钛酸锆铅的潜力应该特别有吸引力。学生将获得广泛的研究级仪器培训，具体的计算包的经验，并获得合成有机化学和一般实验室技术和程序的实践经验。拟议的研究合作将进一步加强CSUSB和合作伙伴社区学院教师的专业发展。

With National Science Foundation support and in response to the Materials Genome Initiative for Global Competitiveness, California State University San Bernardino will establish a Center for Materials Science to develop and study new organic ferroelectric materials. Although inorganic and organic polymeric ferroelectric materials are widely used, organic single molecule ferroelectrics have untapped potential for environmentally friendly materials with superior activity. Many of the known ferroelectrics have shortcomings with regard to applications, such as cost, toxicity, or limited electronic properties. While applications are not the main goal of the Center project, the computational models and experimental results should prove to be valuable tools in designing materials with desirable properties.Scientific Merit: The Center consists of a disciplinarily diverse research team whose collective goals are to develop and study new organic ferroelectric materials, while at the same time strengthening active research collaborations and personnel exchange between partner institutions. The Center's systematic search for new organic ferroelectrics relies on subproject teams in three distinct areas: (1) Theory and Computation; (2) Synthesis and Structure; and (3) Experimental Investigation. In the theory/computation subproject, crystallographic databases, first principles computations, and experience-based intuition will be used to predict likely candidates. The synthesis/structure team will prepare organic compounds, grow thin films, and explore polymorphic behavior of the crystalline materials. The experimental investigation team will then determine ferroelectric and related piezoelectric properties experimentally, as a function of temperature, pressure, film thickness, and composition, as appropriate. These results will be utilized in subsequent iterations to predict the next set of ferroelectric candidates. Broader ImpactFerroelectricity and the closely related properties piezoelectricity, pyroelectricity, non-linear and high dielectric constant properties of materials have broad impacts on an extremely large range of areas. These include: scientific instrumentation, consumer products, national defense, medical devices, energy harvesting, energy storage, robotics, and aerospace. These applications represent billions of dollars to the economy and many high tech jobs. With its numerous applications, this research provides an excellent entry point to attract, then retain, encourage and motivate students, including underrepresented students. The potential for replacing environmentally unfriendly materials such as one of the leading piezoelectric, lead zirconium titanate, with more environmentally friendly organic materials should be particularly appealing. Students will receive a wide range of training on research grade instrumentation, experience with specific computational packages, and gain hands-on experience in synthetic organic chemistry and general laboratory techniques and procedures. The proposed research collaborations will further enhance the professional development of faculty at CSUSB and the partner community colleges.