Please use this identifier to cite or link to this item: http://dx.doi.org/10.14279/depositonce-11093
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dc.contributor.authorPeeples, Craig A.-
dc.contributor.authorKober, Delf-
dc.contributor.authorSchmitt, Franz‐Josef-
dc.contributor.authorTholen, Patrik-
dc.contributor.authorSiemensmeyer, Konrad-
dc.contributor.authorHalldorson, Quinn-
dc.contributor.authorÇoşut, Bünyemin-
dc.contributor.authorGurlo, Aleksander-
dc.contributor.authorYazaydin, Ahmet Ozgur-
dc.contributor.authorHanna, Gabriel-
dc.contributor.authorYücesan, Gündoğ-
dc.date.accessioned2020-12-16T15:06:56Z-
dc.date.available2020-12-16T15:06:56Z-
dc.date.issued2020-10-02-
dc.identifier.issn1616-301X-
dc.identifier.urihttps://depositonce.tu-berlin.de/handle/11303/12218-
dc.identifier.urihttp://dx.doi.org/10.14279/depositonce-11093-
dc.description.abstractA 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.en
dc.description.sponsorshipTU Berlin, Open-Access-Mittel – 2020de
dc.language.isoenen
dc.rights.urihttps://creativecommons.org/licenses/by-nc-nd/4.0/en
dc.subject.ddc540 Chemie und zugeordnete Wissenschaftende
dc.subject.otherelectrically conductive MOFsen
dc.subject.othermagnetic MOFsen
dc.subject.otherphosphonate MOFsen
dc.subject.othersemiconductorsen
dc.subject.othersupercapacitorsen
dc.titleA 3D Cu‐Naphthalene‐Phosphonate Metal–Organic Framework with Ultra‐High Electrical Conductivityen
dc.typeArticleen
dc.date.updated2020-12-07T11:54:12Z-
tub.accessrights.dnbfreeen
tub.publisher.universityorinstitutionTechnische Universität Berlinen
dc.identifier.eissn1616-3028-
dc.type.versionpublishedVersionen
dcterms.bibliographicCitation.doi10.1002/adfm.202007294en
dcterms.bibliographicCitation.journaltitleAdvanced Functional Materialsen
dcterms.bibliographicCitation.originalpublisherplaceNew York, NYen
dcterms.bibliographicCitation.originalpublishernameWileyen
dcterms.bibliographicCitation.articlenumber2007294en
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