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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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Merkle, Rotraut
Max Planck Institute for Solid State Research
in Cooperation with on an Cooperation-Score of 37%
Topics
Publications (7/7 displayed)
- 2021Effects of NiO addition on sintering and proton uptake of Ba(Zr,Ce,Y)O 3−δcitations
- 2019Atomic Structure Analysis of a Second Order Ruddlesden-Popper Ferrite-a High Resolution STEM Study
- 2018Mixed‐Conducting Perovskites as Cathode Materials for Protonic Ceramic Fuel Cells: Understanding the Trends in Proton Uptakecitations
- 2015Stoichiometry Variation in Materials with Three Mobile Carriers—Thermodynamics and Transport Kinetics Exemplified for Protons, Oxygen Vacancies, and Holescitations
- 2013Influence of Line Defects on the Electrical Properties of Single Crystal TiO2citations
- 2011Cu22Bi12S21Cl16-A mixed conductor with fast one-dimensional copper(I) ion transportcitations
- 2008How Is Oxygen Incorporated into Oxides? A Comprehensive Kinetic Study of a Simple Solid‐State Reaction with SrTiO3 as a Model Materialcitations
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article
Cu22Bi12S21Cl16-A mixed conductor with fast one-dimensional copper(I) ion transport
Abstract
<p>Melting reactions of Cu, CuCl, S, and Bi<sub>2</sub>S<sub>3</sub> yield black, shiny needles of Cu<sub>22(1)</sub>Bi<sub>12</sub>S <sub>21(1)</sub>Cl<sub>16(1)</sub>. The compound decomposes peritectically at 649(5) K. Oxidation state I of the copper atoms is supported by CuK-XANES. The compound crystallizes in the hexagonal space group P6/m with a=2116.7(7) pm and c=395.17(5) pm. Seven anions coordinate each of the two independent bismuth cations in the shape of mono-capped trigonal prisms. These polyhedra share edges and faces to form trigonal and hexagonal tubes running along [0 0 1]. The hexagonal tubes are centered by chloride ions, which are surrounded by disordered copper cations. The majority of copper cations are distributed over numerous sites between the tubes. The Joint Probability Density Function (JPDF) reveals a continuous pathway along [0 0 1]. The high mobility of the copper cations along [0 0 1] was demonstrated by impedance spectroscopy and DC polarization measurements on single crystals. The ionic conductivity at 450 K is about σ<sub>ion</sub>=0.06 S cm<sup>-1</sup>, and the activation energy for Cu<sup>+</sup> ion conduction is E<sub>a</sub>=0.44 eV. The chemical diffusion coefficient of copper is in the order of D<sub>cu</sub> <sup>δ</sup>=10<sup>19</sup> cm<sup>-3</sup> at 420 K. The electronic band gap (p-type conductor) was determined as E<sub>g</sub>=0.06 eV. At room temperature the thermal conductivity of a pressed pellet is about κ=0.3 W K<sup>-1</sup> m<sup>-1</sup> and the Seebeck coefficient is S=43 μV K <sup>-1</sup>.</p>