Adsorption of Ne on alkali surfaces studied with a density functional theory

A density functional formalism is applied to investigate the wetting behavior of Ne adsorbed on planar substrates. The study is performed over the complete range of temperatures spanned from the triple point Tt up to the critical one Tc. For this purpose, an effective attractive pair potential was b...

Descripción completa

Guardado en:

Detalles Bibliográficos
Autores principales:	Sartarelli, S.A., Szybisz, L., Urrutia, I.
Formato:	JOUR
Materias:	Adsorption Light metals Neon Programming theory Sodium Substrates Technetium Wetting A densities Alkaline-earth metals Experimental datum Liquid-vapor interfaces Pair potentials Planar substrates Pre-wetting Simple models Triple points Wetting behaviors Density functional theory
Acceso en línea:	http://hdl.handle.net/20.500.12110/paper_15393755_v79_n1_p_Sartarelli
Aporte de:	Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA) de Universidad de Buenos Aires

id	todo:paper_15393755_v79_n1_p_Sartarelli
record_format	dspace
spelling	todo:paper_15393755_v79_n1_p_Sartarelli2023-10-03T16:22:22Z Adsorption of Ne on alkali surfaces studied with a density functional theory Sartarelli, S.A. Szybisz, L. Urrutia, I. Adsorption Light metals Neon Programming theory Sodium Substrates Technetium Wetting A densities Alkaline-earth metals Experimental datum Liquid-vapor interfaces Pair potentials Planar substrates Pre-wetting Simple models Triple points Wetting behaviors Density functional theory A density functional formalism is applied to investigate the wetting behavior of Ne adsorbed on planar substrates. The study is performed over the complete range of temperatures spanned from the triple point Tt up to the critical one Tc. For this purpose, an effective attractive pair potential was built on the basis of a separation procedure. This approach yields a good description of properties of the liquid-vapor interface at coexistence in the whole range of temperatures Tt ≤T≤ Tc. The adsorption of Ne on alkali metals and the alkaline-earth metal Mg is analyzed. This sequence of substrates exhibit increasing attractive strength leading to a variety of wetting situations throughout the interval Tt Tc. A comparison with experimental data and other microscopic calculations is done. The predictions of a simple model are discussed. For Ne/Rb we were able to resolve prewetting lines. Results obtained from a density functional are reported for Ne/K and Ne/Mg. In the case of the latter system the interesting behavior occurs close to Tt. According to our results, Ne wets surfaces of Na and Li, and this statement is in agreement with the whole picture of the analyzed substrates. © 2009 The American Physical Society. Fil:Sartarelli, S.A. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales; Argentina. Fil:Szybisz, L. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales; Argentina. Fil:Urrutia, I. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales; Argentina. JOUR info:eu-repo/semantics/openAccess http://creativecommons.org/licenses/by/2.5/ar http://hdl.handle.net/20.500.12110/paper_15393755_v79_n1_p_Sartarelli
institution	Universidad de Buenos Aires
institution_str	I-28
repository_str	R-134
collection	Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA)
topic	Adsorption Light metals Neon Programming theory Sodium Substrates Technetium Wetting A densities Alkaline-earth metals Experimental datum Liquid-vapor interfaces Pair potentials Planar substrates Pre-wetting Simple models Triple points Wetting behaviors Density functional theory
spellingShingle	Adsorption Light metals Neon Programming theory Sodium Substrates Technetium Wetting A densities Alkaline-earth metals Experimental datum Liquid-vapor interfaces Pair potentials Planar substrates Pre-wetting Simple models Triple points Wetting behaviors Density functional theory Sartarelli, S.A. Szybisz, L. Urrutia, I. Adsorption of Ne on alkali surfaces studied with a density functional theory
topic_facet	Adsorption Light metals Neon Programming theory Sodium Substrates Technetium Wetting A densities Alkaline-earth metals Experimental datum Liquid-vapor interfaces Pair potentials Planar substrates Pre-wetting Simple models Triple points Wetting behaviors Density functional theory
description	A density functional formalism is applied to investigate the wetting behavior of Ne adsorbed on planar substrates. The study is performed over the complete range of temperatures spanned from the triple point Tt up to the critical one Tc. For this purpose, an effective attractive pair potential was built on the basis of a separation procedure. This approach yields a good description of properties of the liquid-vapor interface at coexistence in the whole range of temperatures Tt ≤T≤ Tc. The adsorption of Ne on alkali metals and the alkaline-earth metal Mg is analyzed. This sequence of substrates exhibit increasing attractive strength leading to a variety of wetting situations throughout the interval Tt Tc. A comparison with experimental data and other microscopic calculations is done. The predictions of a simple model are discussed. For Ne/Rb we were able to resolve prewetting lines. Results obtained from a density functional are reported for Ne/K and Ne/Mg. In the case of the latter system the interesting behavior occurs close to Tt. According to our results, Ne wets surfaces of Na and Li, and this statement is in agreement with the whole picture of the analyzed substrates. © 2009 The American Physical Society.
format	JOUR
author	Sartarelli, S.A. Szybisz, L. Urrutia, I.
author_facet	Sartarelli, S.A. Szybisz, L. Urrutia, I.
author_sort	Sartarelli, S.A.
title	Adsorption of Ne on alkali surfaces studied with a density functional theory
title_short	Adsorption of Ne on alkali surfaces studied with a density functional theory
title_full	Adsorption of Ne on alkali surfaces studied with a density functional theory
title_fullStr	Adsorption of Ne on alkali surfaces studied with a density functional theory
title_full_unstemmed	Adsorption of Ne on alkali surfaces studied with a density functional theory
title_sort	adsorption of ne on alkali surfaces studied with a density functional theory
url	http://hdl.handle.net/20.500.12110/paper_15393755_v79_n1_p_Sartarelli
work_keys_str_mv	AT sartarellisa adsorptionofneonalkalisurfacesstudiedwithadensityfunctionaltheory AT szybiszl adsorptionofneonalkalisurfacesstudiedwithadensityfunctionaltheory AT urrutiai adsorptionofneonalkalisurfacesstudiedwithadensityfunctionaltheory
_version_	1807322002681233408

Adsorption of Ne on alkali surfaces studied with a density functional theory

Ejemplares similares