Note: Heterogeneous ice nucleation on silver-iodide-like surfaces

被引:69
作者
Fraux, Guillaume [1 ,2 ]
Doye, Jonathan P. K. [1 ]
机构
[1] Univ Oxford, Dept Chem, Phys & Theoret Chem Lab, Oxford OX1 3QZ, England
[2] Ecole Normale Super, F-75005 Paris, France
基金
英国工程与自然科学研究理事会;
关键词
WATER MONOLAYER CLUSTERS; ELECTRIC-FIELDS; MONTE-CARLO; MODEL; AGL; SIMULATIONS; SUBSTRATE;
D O I
10.1063/1.4902382
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
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. © 2014 AIP Publishing LLC.
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页数:2
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