膦酸盐
材料科学
之字形的
金属有机骨架
二聚体
半导体
带隙
铜
纳米技术
结晶学
密度泛函理论
化学物理
凝聚态物理
物理化学
计算化学
光电子学
化学
有机化学
吸附
冶金
物理
数学
几何学
作者
K. Siemensmeyer,Craig A. Peeples,Patrik Tholen,Franz‐Josef Schmitt,Bünyemin Çoşut,Gabriel Hanna,Gündoğ Yücesan
标识
DOI:10.1002/adma.202000474
摘要
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 10-3 to 103 S m-1 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.
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