Mixed valence coordination polymers and their electronic properties

该项目旨在合成和研究晶体配位聚合物的性质，这些聚合物表现出因远程电子通信而产生的不同寻常的和技术上有用的性质。重点将放在模组分(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的周期边界密度泛函计算的支持，这些计算将被用来使行为合理化，并为新材料的产生提供指导。

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.