分子基多功能铁电单晶的设计、合成与调控

项目名称： 分子基多功能铁电单晶的设计、合成与调控

项目编号： No.21301029

项目类型： 青年科学基金项目

立项/批准年度： 2014

项目学科： 数理科学和化学

项目作者： 付大伟

作者单位： 东南大学

项目金额： 35万元

中文摘要： 分子基铁电体为新型多功能存储材料，属于化学、材料、物理、电子等多学科前沿交叉研究。由有机和无机的结构功能基元通过超分子作用结晶构筑和实现性能调控。具有较鲜明的特点和良好的性能：易实现结构-性能的修饰调控、可引入多功能基元、光电磁多功能性、大尺寸晶体、无铅无重金属、常温制备简易节能。对科学研究和应用性来说展开分子铁电的多体系可控制备、偶极翻转机理、相关模型理论研究都具有重要的意义。分析分子铁电的机理进行有效设计、调控和实现多功能性是今后新型铁电材料研究的主要方向。本项研究拟合成三个体系模型的分子铁电材料，氢键链型、主客体型、分子马达型。并对变温结构、热焓、各向异性介电、压电、SHG 、微畴结构、铁电、光电磁场环境下的电性质等进行测试分析，为分子铁电研究建立系统的结构学和物理学研究方法。并结合朗道相变理论及第一性原理量化计算探讨铁电机理,促进分子基铁电研究的发展。

中文关键词： 相变；介电；铁电；弱相互作用；可控合成

英文摘要： Molecule-based hybrid ferroelectric materials are a kind of supramolecular organic-inorganic salts, which is composed of multifunctional building blocks through intermolecular weak interactions. And the ferroelectric properties are closely related with its polar structure. Molecule-based ferroelectrics are a kind of very important new intelligent storage material with the characteristics of structure easy modification tailoring, easy to grow high-quality crystals, the synergy of functional primitives, especially lead-free and environmentally friendly, and easy to syncretize with organic or inorganic materials. Those characteristics mentioned above have attracted wide attention of researchers. The design, controllable preparation and versatility are composing of an important leading strategy for searching and seeking new ferroelectric materials based on the mechanism of the ferroelectric properties. It would be of important practical significance and academic value to carry out the controllable preparation of hybrid ferroelectrics, to investigate the underlying mechanism and to develop related theory. In this study, we plan to design several different series of order-disorder type ferroelectrics based on our research experience and theory models. This kind of ion-type compounds display a disordered feature which

英文关键词： ferroelectricity；phase transition；dielectricity；weak interaction；;Controllable synthe