We attempt to simulate the heterogeneous nucleation of ice at model silver-iodide surfaces and find relatively facile ice nucleation and growth at the Ag+ terminated basal face, but never see nucleation at the I− terminated basal face or the prism and normal faces. Water molecules strongly adsorb onto the Ag+ terminated face to give a well-ordered hexagonal ice-like bilayer that then acts as a template for further ice growth.
REFERENCES
1.
B. J.
Murray
, D.
O’Sullivan
, J. D.
Atkinson
, and M. E.
Webb
, Chem. Soc. Rev.
41
, 6519
(2012
).2.
J. D.
Atkinson
et al, Nature (London)
498
, 355
(2013
).3.
4.
J. Y.
Yan
and G. N.
Patey
, J. Phys. Chem. Lett.
2
, 2555
(2011
);5.
S. J.
Cox
, Z.
Raza
, S. M.
Kathmann
, B.
Slater
, and A.
Michaelides
, Faraday Discuss.
167
, 389
(2013
).6.
J. K.
Singh
and F.
Müller-Plathe
, Appl. Phys. Lett.
104
, 021603
(2014
).7.
X. X.
Zhang
, Y. J.
Lü
, and M.
Chen
, Mol. Phys.
111
, 3808
(2013
);X. X.
Zhang
, M.
Chen
, and M.
Fu
, Appl. Surf. Sci.
313
, 771
(2014
).8.
A.
Reinhardt
and J. P. K.
Doye
, J. Chem. Phys.
141
, 084501
(2014
).9.
B.
Vonnegut
, J. Appl. Phys.
18
, 593
(1947
).10.
N.
Fukuta
and Y.
Paik
, J. Appl. Phys.
44
, 1092
(1973
).11.
B. N.
Hale
and J.
Kiefer
, J. Chem. Phys.
73
, 923
(1980
);B. N.
Hale
, J.
Kiefer
, S.
Terrazas
, and R. C.
Ward
, J. Phys. Chem.
84
, 1473
(1980
).12.
R. C.
Ward
, J. M.
Holdman
, and B. N.
Hale
, J. Chem. Phys.
77
, 3198
(1982
);R. C.
Ward
, B. N.
Hale
, and S.
Terrazas
, J. Chem. Phys.
78
, 420
(1983
).13.
J. H.
Taylor
and B. N.
Hale
, Phys. Rev. B
47
, 9732
(1993
).14.
S. V.
Shevkunov
, Colloid J.
67
, 497
(2005
).15.
J. L. F.
Abascal
and C.
Vega
, J. Chem. Phys.
123
, 234505
(2005
).16.
M.
Parrinello
, A.
Rahman
, and P.
Vashishta
, Phys. Rev. Lett.
50
, 1073
(1983
).17.
See supplementary material at http://dx.doi.org/10.1063/1.4902382 for further details of the methods and the surface-dipole induced reconstruction.
18.
S. A.
Zielke
, A. K.
Bertram
, and G. N.
Patey
, “A molecular mechanism of ice nucleation on model AgI surfaces
,” J. Phys. Chem. B
(published online).19.
P. W.
Tasker
, J. Phys. C
12
, 4977
(1979
).© 2014 AIP Publishing LLC.
2014
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