Many-body interactions among adsorbed atoms and molecules within carbon nanotubes and in free space

Milen K. Kostov; Milton W. Cole; John Courtenay Lewis; Phong Diep; J. Karl Johnson

doi:10.1016/S0009-2614(00)01245-8

Many-body interactions among adsorbed atoms and molecules within carbon nanotubes and in free space

Milen K. Kostov
, Milton W. Cole
, John Courtenay Lewis
, Phong Diep
, J. Karl Johnson

Research output: Contribution to journal › Article › peer-review

52 Scopus citations

Abstract

This Letter evaluates three-body triple dipole (DDD) interactions for quasi-one-dimensional phases of He, Ne, H₂, Ar, Kr and Xe confined within a bundle of nanotubes. We find a significant reduction in the pair potential well depth due to the DDD effect. We carry out ab initio calculations on linear and equilateral configurations of the H₂ trimer and find that overlap interactions do not greatly change the DDD interaction in the linear configuration when the spacing is greater than about 3 Å. However, the DDD interaction alone is clearly insufficient for the triangular configurations studied.

Original language	English (US)
Pages (from-to)	26-34
Number of pages	9
Journal	Chemical Physics Letters
Volume	332
Issue number	1-2
DOIs	https://doi.org/10.1016/S0009-2614(00)01245-8
State	Published - Dec 15 2000

All Science Journal Classification (ASJC) codes

General Physics and Astronomy
Physical and Theoretical Chemistry

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10.1016/S0009-2614(00)01245-8

Cite this

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title = "Many-body interactions among adsorbed atoms and molecules within carbon nanotubes and in free space",

abstract = "This Letter evaluates three-body triple dipole (DDD) interactions for quasi-one-dimensional phases of He, Ne, H2, Ar, Kr and Xe confined within a bundle of nanotubes. We find a significant reduction in the pair potential well depth due to the DDD effect. We carry out ab initio calculations on linear and equilateral configurations of the H2 trimer and find that overlap interactions do not greatly change the DDD interaction in the linear configuration when the spacing is greater than about 3 {\AA}. However, the DDD interaction alone is clearly insufficient for the triangular configurations studied.",

author = "Kostov, \{Milen K.\} and Cole, \{Milton W.\} and Lewis, \{John Courtenay\} and Phong Diep and Johnson, \{J. Karl\}",

note = "Funding Information: We are grateful to Keith Williams, Paul Sokol, Peter Eklund and Moses Chan for helpful discussions. This research has been supported by the Army Research Office under grant DAAD 19-99-0167.",

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doi = "10.1016/S0009-2614(00)01245-8",

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TY - JOUR

T1 - Many-body interactions among adsorbed atoms and molecules within carbon nanotubes and in free space

AU - Kostov, Milen K.

AU - Cole, Milton W.

AU - Lewis, John Courtenay

AU - Diep, Phong

AU - Johnson, J. Karl

N1 - Funding Information: We are grateful to Keith Williams, Paul Sokol, Peter Eklund and Moses Chan for helpful discussions. This research has been supported by the Army Research Office under grant DAAD 19-99-0167.

PY - 2000/12/15

Y1 - 2000/12/15

N2 - This Letter evaluates three-body triple dipole (DDD) interactions for quasi-one-dimensional phases of He, Ne, H2, Ar, Kr and Xe confined within a bundle of nanotubes. We find a significant reduction in the pair potential well depth due to the DDD effect. We carry out ab initio calculations on linear and equilateral configurations of the H2 trimer and find that overlap interactions do not greatly change the DDD interaction in the linear configuration when the spacing is greater than about 3 Å. However, the DDD interaction alone is clearly insufficient for the triangular configurations studied.

AB - This Letter evaluates three-body triple dipole (DDD) interactions for quasi-one-dimensional phases of He, Ne, H2, Ar, Kr and Xe confined within a bundle of nanotubes. We find a significant reduction in the pair potential well depth due to the DDD effect. We carry out ab initio calculations on linear and equilateral configurations of the H2 trimer and find that overlap interactions do not greatly change the DDD interaction in the linear configuration when the spacing is greater than about 3 Å. However, the DDD interaction alone is clearly insufficient for the triangular configurations studied.

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U2 - 10.1016/S0009-2614(00)01245-8

DO - 10.1016/S0009-2614(00)01245-8

M3 - Article

AN - SCOPUS:0003008907

SN - 0009-2614

VL - 332

SP - 26

EP - 34

JO - Chemical Physics Letters

JF - Chemical Physics Letters

IS - 1-2

ER -

Many-body interactions among adsorbed atoms and molecules within carbon nanotubes and in free space

Abstract

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