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

来源：

JOURNAL OF CHEMICAL PHYSICS | 2014年 / 141卷 / 21期

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.

引用

页数：2

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