Abstract:
The adsorption of helium on buckyballs at zero temperature is studied using finite range density functional and path integral Monte Carlo methods. The results include strong binding for Cn fullerenes (n>˜20) with a maximum number of adsorbed helium atoms at saturated vapor pressure, and a transition to no adsorption for weakly attractive potentials, exemplified by the case of a small Mg sphere. We show that a simple model describing the film as a continuum characterized by bulk parameters yields predictions in qualitative agreement with the more accurate computations. © 2003 The American Physical Society.
Registro:
Documento: |
Artículo
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Título: | Adsorption of atoms and fluids on spherical surfaces |
Autor: | Hernandez, S.; Cole, M.W.; Boninsegni, M. |
Filiación: | Department of Physics, 104 Davey Laboratory, Pennsylvania State University, University Park, PA, 16802, United States Department of Physics, University of Alberta, Edmonton, AB, T6G 2J1, Canada Departamento de Física, Facultad de Ciencias Exactas y Naturales, Universidad de Buenos Aires and Consejo Nacional de Investigaciones Científicas y Técnicas, Argentina
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Palabras clave: | fullerene; helium; adsorption; article; calculation; density functional calculation; mathematical analysis; model; Monte Carlo method; phase transition; prediction; surface property; temperature dependence; vapor pressure |
Año: | 2003
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Volumen: | 68
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Número: | 12
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DOI: |
http://dx.doi.org/10.1103/PhysRevB.68.125418 |
Título revista: | Physical Review B - Condensed Matter and Materials Physics
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Título revista abreviado: | Phys. Rev. B Condens. Matter Mater. Phys.
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ISSN: | 10980121
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CAS: | helium, 7440-59-7
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Registro: | https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_10980121_v68_n12_p_Hernandez |
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Citas:
---------- APA ----------
Hernandez, S., Cole, M.W. & Boninsegni, M.
(2003)
. Adsorption of atoms and fluids on spherical surfaces. Physical Review B - Condensed Matter and Materials Physics, 68(12).
http://dx.doi.org/10.1103/PhysRevB.68.125418---------- CHICAGO ----------
Hernandez, S., Cole, M.W., Boninsegni, M.
"Adsorption of atoms and fluids on spherical surfaces"
. Physical Review B - Condensed Matter and Materials Physics 68, no. 12
(2003).
http://dx.doi.org/10.1103/PhysRevB.68.125418---------- MLA ----------
Hernandez, S., Cole, M.W., Boninsegni, M.
"Adsorption of atoms and fluids on spherical surfaces"
. Physical Review B - Condensed Matter and Materials Physics, vol. 68, no. 12, 2003.
http://dx.doi.org/10.1103/PhysRevB.68.125418---------- VANCOUVER ----------
Hernandez, S., Cole, M.W., Boninsegni, M. Adsorption of atoms and fluids on spherical surfaces. Phys. Rev. B Condens. Matter Mater. Phys. 2003;68(12).
http://dx.doi.org/10.1103/PhysRevB.68.125418