CN-mayenite Ca12Al14O32(CN)2: Replacing mobile oxygen ions by cyanide ions

Alexander Schmidt; Martin Lerch; Jens Peter Eufinger; Jürgen Janek; Raimund Dolle; Hans Dieter Wiemhöfer; Ionut Tranca; Mazharul M. Islam; Thomas Bredow; Hans Boysen; Markus Hoelzel

doi:10.1016/j.solidstatesciences.2014.09.017

CN-mayenite Ca₁₂Al₁₄O₃₂(CN)₂: Replacing mobile oxygen ions by cyanide ions

Alexander Schmidt
, Martin Lerch
, Jens Peter Eufinger
, Jürgen Janek
, Raimund Dolle
, Hans Dieter Wiemhöfer
, Ionut Tranca
, Mazharul M. Islam
, Thomas Bredow
, Hans Boysen
, Markus Hoelzel

Department of Chemistry

Technical University Berlin
Justus Liebig Universität Gießen
University of Münster
Rheinische Friedrich-Wilhelms-Universität Bonn
Mulliken Center for Theoretical Chemistry
Ludwig Maximilian University of Munich
Technical University of Munich

Research output: Contribution to journal › Article › peer-review

19 Citations (SciVal)

Abstract

CN-mayenite (Ca₁₂Al₁₄O₃₂(CN)₂) is a promising candidate for high-temperature CN^- conductivity in a solid due to its special structural features. It was prepared by a solidegas reaction. The transport processes were investigated by means of in situ high-temperature neutron diffraction, impedance spectroscopy and additional Hebbe-Wagner measurements. Diffusion pathways and activation energies were determined additionally by quantum-chemical calculations. Ca₁₂Al₁₄O₃₂(CN)₂ shows a surprisingly high ionic conductivity of σ = 1.4·10^-3 S/cm at 1173 K (E_a = 4.3 eV) and can be considered as first example of a new kind of solid anion conductor with a mobile molecular anion.

Original language	English
Pages (from-to)	69-78
Number of pages	10
Journal	Solid State Sciences
Volume	38
Early online date	2 Oct 2014
DOIs	https://doi.org/10.1016/j.solidstatesciences.2014.09.017
Publication status	Published - 31 Dec 2014

Funding

This work was supported by the German Science Foundation (DFG) within the collaborative project PAK 596 . The authors thank Dr. J.-D. Epping (TUB) for carrying out the NMR measurements.

Keywords

Cyanide ion conduction
Impedance spectroscopy
Mayenite
Neutron scattering
Quantum-chemical calculations

ASJC Scopus subject areas

General Chemistry
General Materials Science
Condensed Matter Physics

Access to Document

10.1016/j.solidstatesciences.2014.09.017

Cite this

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title = "CN-mayenite Ca12Al14O32(CN)2: Replacing mobile oxygen ions by cyanide ions",

abstract = "CN-mayenite (Ca12Al14O32(CN)2) is a promising candidate for high-temperature CN- conductivity in a solid due to its special structural features. It was prepared by a solidegas reaction. The transport processes were investigated by means of in situ high-temperature neutron diffraction, impedance spectroscopy and additional Hebbe-Wagner measurements. Diffusion pathways and activation energies were determined additionally by quantum-chemical calculations. Ca12Al14O32(CN)2 shows a surprisingly high ionic conductivity of σ = 1.4·10-3 S/cm at 1173 K (Ea = 4.3 eV) and can be considered as first example of a new kind of solid anion conductor with a mobile molecular anion.",

keywords = "Cyanide ion conduction, Impedance spectroscopy, Mayenite, Neutron scattering, Quantum-chemical calculations",

author = "Alexander Schmidt and Martin Lerch and Eufinger, \{Jens Peter\} and J{\"u}rgen Janek and Raimund Dolle and Wiemh{\"o}fer, \{Hans Dieter\} and Ionut Tranca and Islam, \{Mazharul M.\} and Thomas Bredow and Hans Boysen and Markus Hoelzel",

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T2 - Replacing mobile oxygen ions by cyanide ions

AU - Schmidt, Alexander

AU - Lerch, Martin

AU - Eufinger, Jens Peter

AU - Janek, Jürgen

AU - Dolle, Raimund

AU - Wiemhöfer, Hans Dieter

AU - Tranca, Ionut

AU - Islam, Mazharul M.

AU - Bredow, Thomas

AU - Boysen, Hans

AU - Hoelzel, Markus

PY - 2014/12/31

Y1 - 2014/12/31

N2 - CN-mayenite (Ca12Al14O32(CN)2) is a promising candidate for high-temperature CN- conductivity in a solid due to its special structural features. It was prepared by a solidegas reaction. The transport processes were investigated by means of in situ high-temperature neutron diffraction, impedance spectroscopy and additional Hebbe-Wagner measurements. Diffusion pathways and activation energies were determined additionally by quantum-chemical calculations. Ca12Al14O32(CN)2 shows a surprisingly high ionic conductivity of σ = 1.4·10-3 S/cm at 1173 K (Ea = 4.3 eV) and can be considered as first example of a new kind of solid anion conductor with a mobile molecular anion.

AB - CN-mayenite (Ca12Al14O32(CN)2) is a promising candidate for high-temperature CN- conductivity in a solid due to its special structural features. It was prepared by a solidegas reaction. The transport processes were investigated by means of in situ high-temperature neutron diffraction, impedance spectroscopy and additional Hebbe-Wagner measurements. Diffusion pathways and activation energies were determined additionally by quantum-chemical calculations. Ca12Al14O32(CN)2 shows a surprisingly high ionic conductivity of σ = 1.4·10-3 S/cm at 1173 K (Ea = 4.3 eV) and can be considered as first example of a new kind of solid anion conductor with a mobile molecular anion.

KW - Cyanide ion conduction

KW - Impedance spectroscopy

KW - Mayenite

KW - Neutron scattering

KW - Quantum-chemical calculations

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