Mixed valence coordination polymers and their electronic properties

混合价配位聚合物及其电子性能

• 批准号: DP180101413
• 负责人: Prof Brendan Abrahams
• 金额: $ 27.69万
• 依托单位: The University of Melbourne
• 依托单位国家: 澳大利亚
• 项目类别: Discovery Projects
• 财政年份: 2018
• 资助国家: 澳大利亚
• 起止时间: 2018-01-01 至 2021-12-31
• 项目状态: 已结题
• 来源: https://dataportal.arc.gov.au/RGS/Web/Grants/DP180101413
• 关键词: Mixed; valence; coordination; polymers; their

The project aims to synthesise and examine the properties of crystalline coordination polymers that exhibit unusual and technologically useful properties arising from long-range electronic communication. The focus will be on materials in which the modular components (ligands, metals and counterions) are present in mixed valence states. The experimental investigation will be supported by dispersion-corrected, periodic-boundary DFT calculations which will be employed to both rationalise behaviour and provide direction for the generation of new materials.

该项目旨在合成和研究结晶配位聚合物的特性，这些聚合物表现出远程电子通信所产生的不寻常且技术上有用的特性。重点将放在模块化成分（配体、金属和反离子）以混合价态存在的材料上。实验研究将得到色散校正、周期边界 DFT 计算的支持，这些计算将用于合理化行为并为新材料的生成提供方向。