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Title: Water–Ice Analogues of Polycyclic Aromatic Hydrocarbons: Water Nanoclusters on Cu(111)

Water has an incredible ability to form a rich variety of structures, with 16 bulk ice phases identified, for example, as well as numerous distinct structures for water at interfaces or under confinement. Many of these structures are built from hexagonal motifs of water molecules, and indeed, for water on metal surfaces, individual hexamers of just six water molecules have been observed. Here in this paper, we report the results of low-temperature scanning tunneling microscopy experiments and density functional theory calculations which reveal a host of new structures for water–ice nanoclusters when adsorbed on an atomically flat Cu surface. The H-bonding networks within the nanoclusters resemble the resonance structures of polycyclic aromatic hydrocarbons, and water–ice analogues of inene, naphthalene, phenalene, anthracene, phenanthrene, and triphenylene have been observed. The specific structures identified and the H-bonding patterns within them reveal new insight about water on metals that allows us to refine the so-called “2D ice rules”, which have so far proved useful in understanding water–ice structures at solid surfaces.
Authors:
 [1] ; ORCiD logo [2] ;  [1] ;  [3] ; ORCiD logo [1] ; ORCiD logo [2]
  1. Tufts Univ., Medford, MA (United States). Dept. of Chemistry
  2. Univ. College London (UCL), London (United Kingdom). Thomas Young Centre, Dept. of Physics and Astronomy, London Centre for Nanotechnology
  3. Tufts Univ., Medford, MA (United States). Dept. of Chemistry; Chalmers Univ. of Technology, Gothenburg, (Sweden). Competence Centre for Catalysis
Publication Date:
Grant/Contract Number:
SC0008703; 616121; EP/ F036884/1
Type:
Published Article
Journal Name:
Journal of the American Chemical Society
Additional Journal Information:
Journal Volume: 139; Journal Issue: 18; Journal ID: ISSN 0002-7863
Publisher:
American Chemical Society (ACS)
Research Org:
Tufts Univ., Medford, MA (United States)
Sponsoring Org:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22); National Science Foundation (NSF); European Union (EU); Royal Society
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; 77 NANOSCIENCE AND NANOTECHNOLOGY
OSTI Identifier:
1356867
Alternate Identifier(s):
OSTI ID: 1423818

Liriano, Melissa L., Gattinoni, Chiara, Lewis, Emily A., Murphy, Colin J., Sykes, E. Charles H., and Michaelides, Angelos. Water–Ice Analogues of Polycyclic Aromatic Hydrocarbons: Water Nanoclusters on Cu(111). United States: N. p., Web. doi:10.1021/jacs.7b01883.
Liriano, Melissa L., Gattinoni, Chiara, Lewis, Emily A., Murphy, Colin J., Sykes, E. Charles H., & Michaelides, Angelos. Water–Ice Analogues of Polycyclic Aromatic Hydrocarbons: Water Nanoclusters on Cu(111). United States. doi:10.1021/jacs.7b01883.
Liriano, Melissa L., Gattinoni, Chiara, Lewis, Emily A., Murphy, Colin J., Sykes, E. Charles H., and Michaelides, Angelos. 2017. "Water–Ice Analogues of Polycyclic Aromatic Hydrocarbons: Water Nanoclusters on Cu(111)". United States. doi:10.1021/jacs.7b01883.
@article{osti_1356867,
title = {Water–Ice Analogues of Polycyclic Aromatic Hydrocarbons: Water Nanoclusters on Cu(111)},
author = {Liriano, Melissa L. and Gattinoni, Chiara and Lewis, Emily A. and Murphy, Colin J. and Sykes, E. Charles H. and Michaelides, Angelos},
abstractNote = {Water has an incredible ability to form a rich variety of structures, with 16 bulk ice phases identified, for example, as well as numerous distinct structures for water at interfaces or under confinement. Many of these structures are built from hexagonal motifs of water molecules, and indeed, for water on metal surfaces, individual hexamers of just six water molecules have been observed. Here in this paper, we report the results of low-temperature scanning tunneling microscopy experiments and density functional theory calculations which reveal a host of new structures for water–ice nanoclusters when adsorbed on an atomically flat Cu surface. The H-bonding networks within the nanoclusters resemble the resonance structures of polycyclic aromatic hydrocarbons, and water–ice analogues of inene, naphthalene, phenalene, anthracene, phenanthrene, and triphenylene have been observed. The specific structures identified and the H-bonding patterns within them reveal new insight about water on metals that allows us to refine the so-called “2D ice rules”, which have so far proved useful in understanding water–ice structures at solid surfaces.},
doi = {10.1021/jacs.7b01883},
journal = {Journal of the American Chemical Society},
number = 18,
volume = 139,
place = {United States},
year = {2017},
month = {4}
}