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Naji, M. |
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Motta, Antonella |
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Aletan, Dirar |
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Mohamed, Tarek |
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Ertürk, Emre |
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Taccardi, Nicola |
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Kononenko, Denys |
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Petrov, R. H. | Madrid |
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Alshaaer, Mazen | Brussels |
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Bih, L. |
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Casati, R. |
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Muller, Hermance |
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Kočí, Jan | Prague |
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Šuljagić, Marija |
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Kalteremidou, Kalliopi-Artemi | Brussels |
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Azam, Siraj |
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Ospanova, Alyiya |
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Blanpain, Bart |
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Ali, M. A. |
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Popa, V. |
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Rančić, M. |
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Ollier, Nadège |
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Azevedo, Nuno Monteiro |
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Landes, Michael |
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Rignanese, Gian-Marco |
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Matsushita, Yoshitaka
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Publications (8/8 displayed)
- 2023Enhanced High-Temperature Thermoelectric Performance of Yb 4 Sb 3 via Ce/Bi Co-doping and Metallic Contact Deposition for Device Integrationcitations
- 2022Reentrant structural and optical properties of organic-inorganic hybrid metal cluster compound ((n-C4H9)(4)N)(2)[(Mo6Br8Br6a)-Br-i]citations
- 2022Reentrant structural and optical properties of organic-inorganic hybrid metal cluster compound ((n-C4H9)(4)N)(2)[(Mo6Bri8Br6a)]citations
- 2021Redetermination of the crystal structure of RhPb<sub>2</sub> from single-crystal X-ray diffraction data, revealing a rhodium deficiencycitations
- 2021Fabrication and Evaluation of Low-Cost CrSi2 Thermoelectric Legscitations
- 2021Fabrication and Evaluation of Low-Cost CrSi2 Thermoelectric Legscitations
- 2021Evolution of gradient structured layer on AZ91D magnesium alloy and its corrosion behaviourcitations
- 2020Crystal structure and metallization mechanism of the π-radical metal TEDcitations
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article
Crystal structure and metallization mechanism of the π-radical metal TED
Abstract
Radical electrons tend to localize on individual molecules, resulting in an insulating (Mott–Hubbard) bandgap in the solid state. Herein, we report the crystal structure and intrinsic electronic properties of the first single crystal of a π-radical metal, tetrathiafulvalene-extended dicarboxylate (TED). The electrical conductivity is up to 30 000 S cm−1 at 2 K and 2300 S cm−1 at room temperature. Temperature dependence of resistivity obeys a T3 power-law above T > 100 K, indicating a new type of metal. X-ray crystallographic analysis clarifies the planar TED molecule, with a symmetric intramolecular hydrogen bond, is stacked along longitudinal (the a-axis) and transverse (the b-axis) directions. The π-orbitals are distributed to avoid strong local interactions. First-principles electronic calculations reveal the origin of the metallization giving rise to a wide bandwidth exceeding 1 eV near the Fermi level. TED demonstrates the effect of two-dimensional stacking of π-orbitals on electron delocalization, where a high carrier mobility of 31.6 cm2 V−1 s−1 (113 K) is achieved.