A direct evidence of vibrationally delocalized response at ice surface

Tatsuya Ishiyama, Akihiro Morita

Research output: Contribution to journalArticlepeer-review

8 Citations (Scopus)

Abstract

Surface-specific vibrational spectroscopic responses at isotope diluted ice and amorphous ice are investigated by molecular dynamics (MD) simulations combined with quantum mechanics/molecular mechanics calculations. The intense response specific to the ordinary crystal ice surface is predicted to be significantly suppressed in the isotopically diluted and amorphous ices, demonstrating the vibrational delocalization at the ordinary ice surface. The collective vibration at the ice surface is also analyzed with varying temperature by the MD simulation.

Original languageEnglish
Article number18C503
JournalJournal of Chemical Physics
Volume141
Issue number18
DOIs
Publication statusPublished - 2014 Nov 14

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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