Molecular Ferroelectrics

分子铁电体

• 批准号: 2571943
• 金额: --
• 依托单位: Durham University
• 依托单位国家: 英国
• 项目类别: Studentship
• 财政年份: 2021
• 资助国家: 英国
• 起止时间: 2021 至 无数据
• 项目状态: 未结题
• 来源: https://gtr.ukri.org/projects?ref=studentship-2571943
• 关键词: Molecular; Ferroelectrics

Ferroelectrics are materials which display a permanent polarisation that can be switched by an external electric field. They find a number of applications in devices such as capacitors, ferroelectric memories, in field effect transistors and, via the related piezoelectric effect, in positioners and transducers. The majority of ferrelectrics used practically are based on heavy-metal containing inorganic oxides such as BaTiO3, PbTi1-xZrxO3, which have drawbacks such as high processing temperatures and potential toxicity. This project will explore methods that our group has developed to try and identify new molecular ferroelectrics which would avoid these issues. In particular we have developed automated symmetry-searching methods allowing us to mine through the >1,000,000 known crystal structures to identify materials that might display ferroelectricity. The most promising candidate materials from this data searching will be synthesised and their properties studied by a variety of experimental methods. The potential advantages of molecular ferroelectrics include their ease of synthesis and processing, low toxicity and the possibility of producing flexible materials compatible with organic electronics. The student will receive training in crystallography (both single crystal and powder), computational methods, materials synthesis, and dielectric property measurements.

铁电体是一种显示永久极化的材料，可以通过外部电场进行切换。他们在电容器、铁电存储器、场效应晶体管以及通过相关的压电效应在定位器和换能器等器件中找到了许多应用。实际使用的大多数铁电材料都是基于含有重金属的无机氧化物，如BaTiO3， PbTi1-xZrxO3，这些氧化物具有加工温度高和潜在毒性等缺点。这个项目将探索我们小组开发的方法，试图识别新的铁电分子，以避免这些问题。特别是，我们开发了自动对称性搜索方法，使我们能够在1,000,000个已知晶体结构中挖掘，以识别可能显示铁电性的材料。从数据搜索中最有希望的候选材料将被合成，并通过各种实验方法研究它们的性质。分子铁电体的潜在优势包括其易于合成和加工，低毒性以及生产与有机电子兼容的柔性材料的可能性。学生将接受晶体学（包括单晶和粉末）、计算方法、材料合成和介电性能测量方面的培训。