Piezo-Actuated MOF@SAW Devices

压电驱动 MOF@SAW 器件

• 批准号: 316700838
• 负责人: Professor Dr. Harald Oberhofer
• 金额: --
• 依托单位: Departamento de Quimica
• 依托单位国家: 德国
• 项目类别: Priority Programmes
• 资助国家: 德国
• 项目状态: 未结题
• 来源: https://gepris.dfg.de/gepris/projekt/316700838?language=en
• 关键词: Piezo; Actuated; MOF; SAW; Devices

The Oberhofer/Volkmer/Wixforth consortium is going to develop novel piezo-responsive coordination frameworks (CF) which will be placed on Surface-Acoustic Wave (SAW) devices in order to stimulate and to investigate electric field-induced framework dynamics. Novel piezo-responsive CFs will be synthesized, including unbound molecular rotors (uR), spatially confined in rigid CFs (uR@rCFs), axially mounted rotors (amR) in rigid CFs (amR@rCFs), as well as hinged CFs displaying a giant piezoelectric response.MOF@SAW devices of piezo-responsive CFs shall be constructed serving a dual purpose of framework actuation on one hand (i.e. giant piezoelectric distortion of CFs, stimulated rotation of CF-mounted dipolar rotors), as well as detection of the dielectric response function, on the other hand. Theoretical investigations at different levels shall serve to model the spontaneous polarization of framework compounds and their dielectric response characteristics. For the latter, density functional tight binding approaches as well as force-field based MD simulations of vectorial or activated mass transport phenomena in the CFs will be performed. A novel polarisable force field will be introduced in order to describe the internal electrostatic interactions of the framework’s building units as well as its response towards external static and time-dependent electrical fields accurately.

Oberhofer/Alummer/Wixforth财团将开发新型压电响应协调框架（CF），将其放置在表面声波（SAW）器件上，以刺激和研究电场诱导的框架动力学。本文将合成新型的压电响应型碳纤维，包括非束缚分子转子（uR）、空间受限于刚性碳纤维中的分子转子（uR@rCFs）、轴向安装于刚性碳纤维中的分子转子（amR压电响应CF的MOF@SAW装置应构造成一方面用于框架致动的双重目的（即CF的巨大压电变形，安装CF的偶极转子的受激旋转），以及另一方面的介电响应函数的检测。在不同层次上的理论研究应有助于模拟骨架化合物的自发极化及其介电响应特性。对于后者，密度泛函紧束缚的方法，以及力场为基础的MD模拟的矢量或激活的质量传输现象的CF将进行。一种新的极化力场将被引入，以描述内部的静电相互作用的框架的建筑单元，以及其对外部静态和随时间变化的电场准确的响应。