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Revisiting the Cubicity of Stacking Disordered Ice: Ice Isd Formed in Mesopores.

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Freezing temperature controls the structure of stacking disordered ice (ice Isd) formed in mesoporous materials. This finding supports layer-by-layer growth mechanisms in supercooled water.

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Area of Science:

  • Physical Chemistry
  • Materials Science
  • Nanotechnology

Background:

  • Supercooled water can form stacking disordered ice (ice Isd), a crystalline form with variable stacking sequences.
  • Mesoporous materials confine water, influencing its freezing behavior and the resulting ice structure.

Purpose of the Study:

  • To investigate the nucleation and growth mechanisms of ice Isd formed from supercooled water confined in mesoporous silicas and carbons.
  • To determine the influence of pore size and freezing temperature on the cubicity of ice Isd.

Main Methods:

  • Confining water in various mesoporous silicas and carbons.
  • Controlling freezing temperatures within the mesopores.
  • Analyzing X-ray diffraction patterns to estimate cubicity (fraction of cubic stacking sequences).

Main Results:

  • Mesopore size and shape primarily control the freezing temperature of confined water.
  • Cubicity of ice Isd exhibits a universal relationship with freezing temperature, independent of pore geometry.
  • Observed cubicity versus freezing temperature curves closely match molecular simulation results.

Conclusions:

  • Freezing temperature is the dominant factor governing the cubicity of ice Isd in mesopores.
  • Layer-by-layer growth at the ice/liquid interface, as suggested by molecular simulations, controls ice Isd cubicity in supercooled water.
  • Ice Isd formed in supercooled confined water may differ structurally from ice formed under cryogenic deposition conditions.