title: A unique vibrational signature of rotated water monolayers on Pt(111): predicted and observed.
abstract: Six H-bonds in the periodic di-interstitial structure that accounts for scanning tunneling microscope images of "√37" and "√39" wetting layers on Pt(111) are some 0.2 Å shorter than H-bonds are in ice Ih. According to a broadly obeyed correlation, this density functional theory result implies a stringent test of the di-interstitial motif, namely the presence of an OH-stretch band red-shifted from that of ice Ih by more than 1000 cm(-1). Infrared absorption spectra satisfy the test, in showing a feature centered at about 1965 cm(-1), which grows in as deposited water orders.
authors.affiliation: Sandia National Laboratories, Albuquerque, New Mexico 87185-1415, USA. pjfeibe@sandia.gov
authors.forename: Peter J
authors.initials: PJ
authors.lastname: Feibelman
authors.forename: Greg A
authors.initials: GA
authors.lastname: Kimmel
authors.forename: R Scott
authors.initials: RS
authors.lastname: Smith
authors.forename: Nikolay G
authors.initials: NG
authors.lastname: Petrik
authors.forename: Tykhon
authors.initials: T
authors.lastname: Zubkov
authors.forename: Bruce D
authors.initials: BD
authors.lastname: Kay