Siemensmeyer Konrad, Peeples Craig A, Tholen Patrik, Schmitt Franz-Josef, Çoşut Bünyemin, Hanna Gabriel, Yücesan Gündoğ
Helmholtz-Zentrum, Berlin, 14109, Germany.
University of Alberta, Edmonton, T6G 2R3, Canada.
Adv Mater. 2020 Jun;32(24):e2000474. doi: 10.1002/adma.202000474. Epub 2020 May 6.
Herein, the first semiconducting and magnetic phosphonate metal-organic framework (MOF), TUB75, is reported, which contains a 1D inorganic building unit composed of a zigzag chain of corner-sharing copper dimers. The solid-state UV-vis spectrum of TUB75 reveals the existence of a narrow bandgap of 1.4 eV, which agrees well with the density functional theory (DFT)-calculated bandgap of 1.77 eV. Single-crystal conductivity measurements for different orientations of the individual crystals yield a range of conductances from 10 to 10 S m at room temperature, pointing to the directional nature of the electrical conductivity in TUB75. Magnetization measurements show that TUB75 is composed of antiferromagnetically coupled copper dimer chains. Due to their rich structural chemistry and exceptionally high thermal/chemical stabilities, phosphonate MOFs like TUB75 may open new vistas in engineerable electrodes for supercapacitors.
在此，报道了首个半导体和磁性膦酸酯金属有机框架（MOF）TUB75，它包含一个由角共享铜二聚体的锯齿链组成的一维无机建筑单元。TUB75的固态紫外可见光谱显示存在1.4 eV的窄带隙，这与密度泛函理论（DFT）计算的1.77 eV带隙非常吻合。对单个晶体不同取向的单晶电导率测量在室温下产生了10到10 S m的一系列电导，表明TUB75中电导率的方向性。磁化测量表明TUB75由反铁磁耦合的铜二聚体链组成。由于其丰富的结构化学和极高的热/化学稳定性，像TUB75这样的膦酸酯MOF可能为超级电容器的可工程化电极开辟新的前景。
