Electrically conductive metal-organic frameworks and porous coordination polymers for energy storage

用于储能的导电金属有机框架和多孔配位聚合物

• 批准号: 2885358
• 金额: --
• 依托单位: University of York
• 依托单位国家: 英国
• 项目类别: Studentship
• 财政年份: 2023
• 资助国家: 英国
• 起止时间: 2023 至 无数据
• 项目状态: 未结题
• 来源: https://gtr.ukri.org/projects?ref=studentship-2885358
• 关键词: Electrically; conductive; metal; organic; frameworks

Metal-organic frameworks (MOFs) are intrinsically porous extended solids formed by coordination bonding between organic ligands and geometry-directing metal ion clusters. Since the inception of the field in the late 1990s, these materials have been investigated extensively for applications in gas storage, separations, and catalysis because of their high porosity and chemical tunability. However, high electrical conductivity is rare in MOFs, even though this property would enable diverse sustainable technologies in charge (energy) storage and electrocatalysis, among others. Indeed, the electronic properties of MOFs have received comparatively less attention than their physical MOF properties until recently, driven by renewed commitments to global sustainable energy agenda. This PhD project specifically aims to demonstrate the enhanced benefit of three-dimensional or globally conjugated channel designs to afford extensive electrical conductivity pathways within organic hybrid porous coordination polymers (PCPs) like MOFs for novel energy storage.The PhD student will set out to design, prepare and computationally model electrically-conductive MOFs comprising electrochemically active organic linkers arranged around a metal site to form three-dimensionally shaped channels for fast ion and charge carrier movement. Computational models will allow the student to visualise global conjugation pathways and identify which ones may dominate MOF conductive properties. These models will be corroborated and refined by comparison to fundamental experimental and energy device data obtained from MOF candidates being synthesised in the laboratory. Advanced materials microscopy, thermal analysis and electrochemical techniques will allow the student to develop very clear relationships between atomic-level structural modifications and bulk-scale material properties of the MOF with a view to establishing rational design principles for the general class of 3D conjugated PCPs. The most promising products will be integrated into rechargeable lithium-ion batteries and other electrochemical devices, raising the possibility for technological innovation in the sustainable energy area from York.

金属有机框架（MOFS）是由有机配体之间的协调键和几何导向的金属离子簇形成的内在多孔扩展固体。自1990年代后期田间成立以来，由于孔隙率高和化学可调性，已对这些材料进行了广泛的研究，以用于气体存储，分离和催化。然而，尽管该特性能够实现各种负责的可持续技术（能源）存储和电催化等，但在MOF中，高电导率很少。实际上，直到最近，MOF的电子特性与其物理MOF性质相比较少，这是由于对全球可持续能源议程的重新承诺所推动的。该博士学位项目专门旨在展示三维或全球共轭频道设计的增强好处，以提供有机混合多孔多孔配位聚合物（PCP）内的广泛的电导率途径（PCP），例如MOF，例如新颖的储能存储。快速离子和电荷载体运动的三维形状通道。计算模型将使学生能够可视化全局共轭途径，并确定哪些可能主导MOF导电性能。与从实验室合成的MOF候选者获得的基本实验和能量设备数据相比，这些模型将得到证实和完善。先进的材料显微镜，热分析和电化学技术将使学生能够在原子级结构修饰和MOF的大规模材料特性之间发展非常明确的关系，以期为3D共轭PCP的通用类建立有理设计原理。最有希望的产品将集成到可充电锂离子电池和其他电化学设备中，从而增加了约克可持续能源领域的技术创新的可能性。