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Main Title: A 3D Cu‐Naphthalene‐Phosphonate Metal–Organic Framework with Ultra‐High Electrical Conductivity
Author(s): Peeples, Craig A.
Kober, Delf
Schmitt, Franz‐Josef
Tholen, Patrik
Siemensmeyer, Konrad
Halldorson, Quinn
Çoşut, Bünyemin
Gurlo, Aleksander
Yazaydin, Ahmet Ozgur
Hanna, Gabriel
Yücesan, Gündoğ
Type: Article
Abstract: A conductive phosphonate metal–organic framework (MOF), [{Cu(H2O)}(2,6‐NDPA)0.5] (NDPA = naphthalenediphosphonic acid), which contains a 2D inorganic building unit (IBU) comprised of a continuous edge‐sharing sheet of copper phosphonate polyhedra is reported. The 2D IBUs are connected to each other via polyaromatic 2,6‐NDPA's, forming a 3D pillared‐layered MOF structure. This MOF, known as TUB40, has a narrow band gap of 1.42 eV, a record high average electrical conductance of 2 × 102 S m−1 at room temperature based on single‐crystal conductivity measurements, and an electrical conductance of 142 S m−1 based on a pellet measurement. Density functional theory (DFT) calculations reveal that the conductivity is due to an excitation from the highest occupied molecular orbital on the naphthalene‐building unit to the lowest unoccupied molecular orbital on the copper atoms. Temperature‐dependent magnetization measurements show that the copper atoms are antiferromagnetically coupled at very low temperatures, which is also confirmed by the DFT calculations. Due to its high conductance and thermal/chemical stability, TUB40 may prove useful as an electrode material in supercapacitors.
Subject(s): electrically conductive MOFs
magnetic MOFs
phosphonate MOFs
Issue Date: 2-Oct-2020
Date Available: 16-Dec-2020
Language Code: en
DDC Class: 540 Chemie und zugeordnete Wissenschaften
Sponsor/Funder: TU Berlin, Open-Access-Mittel – 2020
Journal Title: Advanced Functional Materials
Publisher: Wiley
Article Number: 2007294
Publisher DOI: 10.1002/adfm.202007294
EISSN: 1616-3028
ISSN: 1616-301X
TU Affiliation(s): Fak. 3 Prozesswissenschaften » Inst. Lebensmitteltechnologie und Lebensmittelchemie » FG Lebensmittelchemie und Toxikologie
Appears in Collections:Technische Universität Berlin » Publications

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