|Mr Christopher H. Hendon (Department of Chemistry, University of Bath, UK)
|Principles of Design: Physical Properties of Metal-Organic Frameworks
|慶應義塾大学 理工学部 >矢上キャンパス内
|Self-assembling metal-organic frameworks offer immense potential for tailoring material properties for a wide scope of technological applications including low cost solar cells, solid-state lighting, gas sensors and bipolar transparent conductors. The theoretical approach to designing hybrid systems is still in its infancy, and the application of modern computational methods is a valuable tool in accessing potential candidates for the aforementioned applications.
Extensive research has been invested into semi- conducting oxides/sulfides, and as a result current solar cells often encompass such compounds (e.g. CdS, SnS). These systems have variable band gap depending on conformation and compositions.1 The limitation of working with explicitly inorganic structure is the lack of flexibility and diversity. Controlling connectivity, and electronic properties, by the addition of organic ligands, is not only an elegant approach to solving theoretical problems; it is insightful for practical synthesis of hybrid materials. %