Engineering Optoelectronics and Smart Sensors Leveraging Metal-Organic Framework Materials

项目总结：金属有机骨架材料(MOF)是一类具有可调物理化学性质的杂化无机有机化合物。重点是光学传感材料的设计、制造和工程，以及随后将其集成到多功能设备中，以检测从化学蒸气到机械应力等不同刺激。结果可能会产生针对现实世界应用的具有极高灵敏度和选择性的智能传感器。该项目属于EPSRC的研究领域：传感器和仪器；光子材料；材料工程-复合材料。该项目的目标包括以下几个方面：(I)实施最先进的纳米分析技术来表征MOF结构。散射型扫描近场光学显微镜(S SNOM)与纳米傅立叶红外光谱(NanFTIR)相结合，将使晶体和非晶态MOF材料中骨架结构的局部尺度表征成为可能。(Ii)细尺度晶体材料中结构缺陷的识别和探测。其目的是为了了解晶体生长引起的缺陷的演变，并在纳米尺度上阐明其力学行为。将通过尖端作用力显微镜结合使用密度泛函方法的理论计算来建立结构-机械性质关系。(Iii)通过利用纳米尺度上的Guest@MOF限制的概念来调节光物理和传感性质。这种多孔性的MOF将作为一种“宿主”结构，将发光的“客体”分子包裹起来。该项目将与哈威尔的大型科学设施合作进行，即钻石光源(BEAM LINE B22 Miriam)和ISIS中子与缪子源(TOSCA)。现场同步加速器和中子振动光谱学将用于跟踪在宽带红外/中子源照射下，Guest@MOF晶体在化学和物理刺激下的实时响应。例如，丙酮的低浓度剂量将导致主-客体相互作用，从而使基本传感机制的研究成为可能。总而言之，该项目的发现将有助于指导设计和设计用于检测挥发性有机化合物蒸气的ppm敏感传感器。这一结果也可能有利于照明和智能设备的光电子学领域。

A summary of the project:The research is in the field metal-organic framework (MOF) materials, a class of hybrid inorganic-organic compound with tuneable physical and chemical properties. The focus is on the design, fabrication, and engineering of optical sensing materials and their subsequent integration into multifunctional devices for the detection of different stimuli, ranging from chemical vapours to mechanical stresses. The results could yield smart sensors with extreme sensitivity and selectivity targeting real-world applications. This project falls within the EPSRC research areas: Sensors and instrumentation; Photonic materials; Materials engineering - composites.The objectives of the project encompass the following aspects:(i) Implementation of state-of-the-art nanoanalytical techniques to characterise MOF structures. Scattering-type scanning near-field optical microscopy (s SNOM), in combination with nano-Fourier infrared spectroscopy (nanoFTIR), these non-destructive techniques will enable the local scale characterisation of framework structures in both crystalline and amorphous MOF materials.(ii) Identification and probing of structural defects in fine-scale crystalline materials. The aim is for understanding the evolution of crystal growth induced defects, and the elucidation of the mechanical behaviour at the nanoscale. Structure-mechanical property relationships will be established through tip force microscopy, in conjunction with theoretical calculations using density functional methods.(iii) Tuning of photophysical and sensing properties by leveraging the concept of Guest@MOF confinement at the nanoscale. The porous MOF will act as a "host" structure to incarcerate a luminescent "guest" molecule. The resultant "composite" will be studied for surface adsorption effect versus true encapsulation in the MOF pore, addressing a major challenge in the field of Guest@MOF composite materials.The project will be carried out in collaboration with the large science facilities based in Harwell, namely Diamond Light Source (beamline B22 MIRIAM) and ISIS Neutron & Muon Source (TOSCA). In situ synchrotron and neutron vibrational spectroscopy will be applied to track the real-time response of Guest@MOF crystals subject to chemical and physical stimuli when irradiated by a broadband infrared/neutron source. For example, low concentration dosing of acetone will cause host-guest interactions to enable the study of basic sensing mechanisms. Collectively, the findings of this project will help guide the design and engineering of ppm-sensitive sensors for detecting vapours of volatile organic compounds. The results may also benefit the field of optoelectronics for lighting and smart devices.