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晶体配位聚合物的性质，这些聚合物表现出远距离电子通信所产生的不寻常和技术上有用的性质。重点将放在材料中的模块组件（配体，金属和抗衡离子）存在于混合价态。实验研究将得到色散校正的边界DFT计算的支持，该计算将用于合理化行为并为新材料的产生提供方向。