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Unexpected compound reformation in the dense selenium-hydrogen system.

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|August 27, 2025
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Under high pressure, a new compound, SeH2(H2)2, unexpectedly formed. This selenium hydride compound is non-metallic and has a unique crystal structure, differing from other chalcogen hydrides.

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Area of Science:

  • High-pressure physics and chemistry
  • Materials science
  • Solid-state chemistry

Background:

  • H2Se and (H2Se)2H2 compounds are unstable under compression above 22 GPa.
  • Previous research on chalcogen hydrides at high pressures indicated potential for novel compound formation.

Purpose of the Study:

  • To investigate the high-pressure phase behavior of selenium hydride.
  • To synthesize and characterize new selenium-hydrogen compounds under extreme conditions.

Main Methods:

  • High pressure-high temperature diamond anvil cell experiments.
  • X-ray diffraction for structural analysis.
  • Density functional theory calculations for structural validation.
  • Electrical resistance measurements.

Main Results:

  • A novel compound, SeH2(H2)2, was synthesized above 94 GPa.
  • X-ray diffraction revealed a tetragonal (I41/a m d) structure with zig-zag H-Se chains and H2 molecules in Se interstices.
  • Density functional theory calculations confirmed the structure with minor distortions.
  • Electrical resistance measurements showed SeH2(H2)2 is non-metallic up to 148 GPa.
  • No compound formation was observed in the Te-H system up to 165 GPa and 2000 K.

Conclusions:

  • The high-pressure phase behavior of chalcogen hydrides is unique and complex.
  • SeH2(H2)2 represents a novel high-pressure phase with a distinct crystal structure.
  • The findings challenge previous assumptions about the predictability of high-pressure behavior in these systems.