Condensed Water Phase Nuclei in the Field of a Vacancy on a Crystalline Substrate Surface

A vacancy has been formed in a crystal lattice by removing an iodine anion from the crystallographic layer nearest to the surface on the basal face of the β-modification of silver iodide. The Monte Carlo method has been employed to study the molecular structure of condensed water phase nuclei growin...

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Veröffentlicht in:Colloid journal of the Russian Academy of Sciences 2020-07, Vol.82 (4), p.460-474
1. Verfasser: Shevkunov, S. V.
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description A vacancy has been formed in a crystal lattice by removing an iodine anion from the crystallographic layer nearest to the surface on the basal face of the β-modification of silver iodide. The Monte Carlo method has been employed to study the molecular structure of condensed water phase nuclei growing in the field of the vacancy from a vapor at 260 K. The images and spatial correlation functions obtained for the nuclei in the region of the surface defect have indicated a relatively deep penetration of water molecules into the first crystallographic layers and the rupture of hydrogen bonds between the first adsorbed molecules. The growth of a nucleus in the vacancy field initially develops in the form of molecular chains extended in the direction outward the crystal surface; then, it continues in the form a monomolecular film spot spreading over the surface around the vacancy, with the mechanism of spot retention being the same as that on a defectless surface. The nuclei in the vacancy field are represented by monomolecular film spots with vertical protuberance-like prominences raised over them.
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V.</creator><creatorcontrib>Shevkunov, S. V.</creatorcontrib><description>A vacancy has been formed in a crystal lattice by removing an iodine anion from the crystallographic layer nearest to the surface on the basal face of the β-modification of silver iodide. The Monte Carlo method has been employed to study the molecular structure of condensed water phase nuclei growing in the field of the vacancy from a vapor at 260 K. The images and spatial correlation functions obtained for the nuclei in the region of the surface defect have indicated a relatively deep penetration of water molecules into the first crystallographic layers and the rupture of hydrogen bonds between the first adsorbed molecules. The growth of a nucleus in the vacancy field initially develops in the form of molecular chains extended in the direction outward the crystal surface; then, it continues in the form a monomolecular film spot spreading over the surface around the vacancy, with the mechanism of spot retention being the same as that on a defectless surface. 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V.</creatorcontrib><title>Condensed Water Phase Nuclei in the Field of a Vacancy on a Crystalline Substrate Surface</title><title>Colloid journal of the Russian Academy of Sciences</title><addtitle>Colloid J</addtitle><description>A vacancy has been formed in a crystal lattice by removing an iodine anion from the crystallographic layer nearest to the surface on the basal face of the β-modification of silver iodide. The Monte Carlo method has been employed to study the molecular structure of condensed water phase nuclei growing in the field of the vacancy from a vapor at 260 K. The images and spatial correlation functions obtained for the nuclei in the region of the surface defect have indicated a relatively deep penetration of water molecules into the first crystallographic layers and the rupture of hydrogen bonds between the first adsorbed molecules. 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The Monte Carlo method has been employed to study the molecular structure of condensed water phase nuclei growing in the field of the vacancy from a vapor at 260 K. The images and spatial correlation functions obtained for the nuclei in the region of the surface defect have indicated a relatively deep penetration of water molecules into the first crystallographic layers and the rupture of hydrogen bonds between the first adsorbed molecules. The growth of a nucleus in the vacancy field initially develops in the form of molecular chains extended in the direction outward the crystal surface; then, it continues in the form a monomolecular film spot spreading over the surface around the vacancy, with the mechanism of spot retention being the same as that on a defectless surface. 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subjects Chemistry
Chemistry and Materials Science
Crystal lattices
Crystal surfaces
Crystallography
Hydrogen bonds
Iodine
Lattice vacancies
Molecular chains
Molecular structure
Monomolecular films
Monte Carlo simulation
Nuclei
Polymer Sciences
Substrates
Surface defects
Surfaces and Interfaces
Thin Films
Water chemistry
title Condensed Water Phase Nuclei in the Field of a Vacancy on a Crystalline Substrate Surface
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