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Title: Synthesis, Structure, and Pressure-Induced Polymerization of Li 3 Fe(CN) 6 Accompanied with Enhanced Conductivity

By providing a new route to synthesize inorganic/organic conductors with tunable composition and properties, pressure-induced polymerization of charged triple-bond monomers like acetylide and cyanide could lead to formation of a conductive metal–carbon network composite. The industry application of this promising synthetic method is mainly limited by the reaction pressure needed, which is often too high to be reached for gram amounts of sample. Here we successfully synthesized highly conductive Li 3Fe(CN) 6 at maximum pressure around 5 GPa and used in situ diagnostic tools to follow the structural and functional transformations of the sample, including in situ X-ray and neutron diffraction and Raman and impedance spectroscopy, along with the neutron pair distribution function measurement on the recovered sample. The cyanide anions start to react around 1 GPa and bond to each other irreversibly at around 5 GPa, which are the lowest reaction pressures in all known metal cyanides and within the technologically achievable pressure range for industrial production. Moreover, the conductivity of the polymer is above 10 –3 S·cm –1, which reaches the range of conductive polymers. Our investigation suggests that the pressure-induced polymerization route is practicable for synthesizing some types of functional conductive materials for industrial use, and furthermore » research like doping and heating can hence be motivated to synthesize novel materials under lower pressure and with better performances.« less
 [1] ;  [1] ;  [2] ;  [2] ;  [3] ;  [3] ;  [3] ;  [3] ;  [4] ;  [1]
  1. Center for High Pressure Science and Technology Advanced Research, Beijing (China); Carnegie Inst. of Washington, Washington, DC (United States)
  2. Japan Atomic Energy Agency, Ibaraki (Japan)
  3. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
  4. Center for High Pressure Science and Technology Advanced Research, Beijing (China); Carnegie Inst. of Washington, Argonne, IL (United States)
Publication Date:
Grant/Contract Number:
AC05-00OR22725; SC0001057
Accepted Manuscript
Journal Name:
Inorganic Chemistry
Additional Journal Information:
Journal Volume: 54; Journal Issue: 23; Journal ID: ISSN 0020-1669
American Chemical Society (ACS)
Research Org:
Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States). Center for Nanophase Materials Sciences (CNMS); Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Spallation Neutron Source (SNS)
Sponsoring Org:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Country of Publication:
United States
OSTI Identifier: