Adsorption of atoms and fluids on spherical surfaces

S. Hernandez, Milton Walter Cole, Massimo Boninsegni

Research output: Contribution to journalArticle

40 Citations (Scopus)

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.

Original languageEnglish (US)
JournalPhysical Review B - Condensed Matter and Materials Physics
Volume68
Issue number12
DOIs
StatePublished - Jan 1 2003

Fingerprint

Fullerenes
Helium
Adsorption
Atoms
adsorption
Fluids
fluids
helium atoms
Vapor pressure
vapor pressure
adatoms
fullerenes
Monte Carlo method
atoms
Monte Carlo methods
helium
continuums
predictions
Temperature
temperature

All Science Journal Classification (ASJC) codes

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics

Cite this

Hernandez, S. ; Cole, Milton Walter ; Boninsegni, Massimo. / Adsorption of atoms and fluids on spherical surfaces. In: Physical Review B - Condensed Matter and Materials Physics. 2003 ; Vol. 68, No. 12.
@article{13f35aba2b9d40ca9790340b1b697dc1,
title = "Adsorption of atoms and fluids on spherical surfaces",
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.",
author = "S. Hernandez and Cole, {Milton Walter} and Massimo Boninsegni",
year = "2003",
month = "1",
day = "1",
doi = "10.1103/PhysRevB.68.125418",
language = "English (US)",
volume = "68",
journal = "Physical Review B-Condensed Matter",
issn = "1098-0121",
publisher = "American Physical Society",
number = "12",

}

Adsorption of atoms and fluids on spherical surfaces. / Hernandez, S.; Cole, Milton Walter; Boninsegni, Massimo.

In: Physical Review B - Condensed Matter and Materials Physics, Vol. 68, No. 12, 01.01.2003.

Research output: Contribution to journalArticle

TY - JOUR

T1 - Adsorption of atoms and fluids on spherical surfaces

AU - Hernandez, S.

AU - Cole, Milton Walter

AU - Boninsegni, Massimo

PY - 2003/1/1

Y1 - 2003/1/1

N2 - 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.

AB - 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.

UR - http://www.scopus.com/inward/record.url?scp=0242692420&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=0242692420&partnerID=8YFLogxK

U2 - 10.1103/PhysRevB.68.125418

DO - 10.1103/PhysRevB.68.125418

M3 - Article

VL - 68

JO - Physical Review B-Condensed Matter

JF - Physical Review B-Condensed Matter

SN - 1098-0121

IS - 12

ER -