English
 
Help Privacy Policy Disclaimer
  Advanced SearchBrowse
  1. View item / 
  2. Item Summary

Item

ITEM ACTIONSEXPORT
Add to Basket
  Local TagsRelease HistoryDetailsSummary

Released
Journal Article

Cu22Bi12S21Cl16 – A mixed conductor with fast one-dimensional copper(I) ion transport

MPS-Authors
/persons/resource/persons280302

Merkle,  R.
Department Physical Chemistry of Solids (Joachim Maier), Max Planck Institute for Solid State Research, Max Planck Society;

/persons/resource/persons217129

Maier,  J.
Department Physical Chemistry of Solids (Joachim Maier), Max Planck Institute for Solid State Research, Max Planck Society;

External Resource
No external resources are shared
Fulltext (restricted access)
There are currently no full texts shared for your IP range.
Fulltext (public)
There are no public fulltexts stored in PuRe
Supplementary Material (public)
There is no public supplementary material available
Citation

Heerwig, A., Merkle, R., Maier, J., & Ruck, M. (2011). Cu22Bi12S21Cl16 – A mixed conductor with fast one-dimensional copper(I) ion transport. Journal of Solid State Chemistry, 184(1), 191-198.


Cite as: https://hdl.handle.net/21.11116/0000-000E-C16B-0
Abstract
Melting reactions of Cu, CuCl, S, and Bi(2)S(3) yield black, shiny needles of Cu(22(1))Bi(12)S(21(1))Cl(16(1)). The compound decomposes peritectically at 649(5)K. Oxidation state +I of the copper atoms is supported by Cu-K-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 sigma(ion) = 0.06 S cm(-1), and the activation energy for Cu(+) ion conduction is E(a) = 0.44 eV. The chemical diffusion coefficient of copper is in the order of D(cu)(delta) = 10(19) cm(-3) at 420 K. The electronic band gap (p-type conductor) was determined as E(g) = 0.06 eV. At room temperature the thermal conductivity of a pressed pellet is about kappa = 0.3 W K(-1) m(-1) and the Seebeck coefficient is S = 43 mu V K(-1). (C) 2010 Elsevier Inc. All rights reserved.