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Superionic phase transition in KHSO4: a temperature-dependent Raman investigation.

Diptikanta Swain1, Venkata Srinu Bhadram, Gopal K Pradhan

  • 1Chemistry and Physics of Materials Unit, Jawaharlal Nehru Centre for Advanced Scientific Research, Jakkur P.O., Bangalore 560064, India.

The Journal of Physical Chemistry. A
|September 1, 2010
PubMed
Summary

Raman spectroscopy reveals a phase transition in potassium bisulfate (KHSO4) crystals at 473 K, driven by lattice and molecular disorder. This transition leads to a superionic phase, with disorder in the hydrogen-bonded chains enhancing conductivity.

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Area of Science:

  • Solid State Chemistry
  • Materials Science
  • Spectroscopy

Background:

  • Potassium bisulfate (KHSO4) is a material exhibiting interesting phase transition properties.
  • Understanding the mechanisms behind these transitions is crucial for potential applications.

Purpose of the Study:

  • To investigate the structural phase transition in KHSO4 single crystals using temperature-dependent Raman spectroscopy.
  • To elucidate the role of lattice and molecular disorder in the transition to the superionic phase.

Main Methods:

  • Single crystals of KHSO4 were subjected to Raman spectroscopic analysis.
  • Measurements were performed across a temperature range of 298-493 K to capture the phase transition.

Main Results:

  • A structural phase transition was identified at 473 K, characterized by increased lattice and molecular disorder.
  • Raman spectra clearly indicated disorder within the HSO4- polymeric hydrogen-bonded chains.
  • The high-temperature phase exhibited higher symmetry, consistent with the observed spectral changes.

Conclusions:

  • The study successfully characterized the phase transition in KHSO4, linking it to lattice and molecular disorder.
  • Raman spectroscopy provided insights into the disorder mechanism and its effect on conductivity enhancement in the superionic phase.