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（MOF）是本质上多孔的扩展固体，由有机配体和几何导向金属离子簇之间的配位键合形成。自 20 世纪 90 年代末该领域诞生以来，这些材料因其高孔隙率和化学可调性而在气体储存、分离和催化领域的应用得到了广泛的研究。然而，高电导率在 MOF 中很少见，尽管这种特性将使电荷（能量）存储和电催化等多种可持续技术成为可能。事实上，直到最近，由于对全球可持续能源议程的新承诺的推动，MOF 的电子特性受到的关注相对较少，而其物理 MOF 特性直到最近才受到关注。该博士项目的具体目的是展示三维或全局共轭通道设计的增强优势，以在有机杂化多孔配位聚合物（PCP）（如MOF）中提供广泛的导电通路，用于新型能量存储。博士生将着手设计，制备导电 MOF 并进行计算建模，该 MOF 包含排列在金属位点周围的电化学活性有机连接体，形成三维形状的通道，用于快速离子和电荷载流子运动。计算模型将使学生能够可视化全局共轭路径，并确定哪些路径可能主导 MOF 的导电性能。这些模型将通过与从实验室合成的 MOF 候选物获得的基本实验和能源设备数据进行比较来得到证实和完善。先进的材料显微镜、热分析和电化学技术将使学生能够在 MOF 的原子级结构修饰和块状材料特性之间建立非常清晰的关系，以期为一般类别的 3D 共轭 PCP 建立合理的设计原则。最有前途的产品将被集成到可充电锂离子电池和其他电化学设备中，从而提高约克在可持续能源领域技术创新的可能性。