Isotopic effects of hydrogen adsorption in carbon nanotubes

被引：24

作者：

Gordillo, MC ^{[1
]}

Boronat, J ^{[1
]}

Casulleras, J ^{[1
]}

机构：

[1] Univ Politecn Cataluna, Dept Fis & Engn Nucl, E-08034 Barcelona, Spain

来源：

PHYSICAL REVIEW B | 2002年 / 65卷 / 01期

关键词：

D O I：

10.1103/PhysRevB.65.014503

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

We present diffusion Monte Carlo calculations of D-2, adsorbed inside a narrow carbon nanotube. The one-dimensional D-2 equation of state is reported, and the one-dimensional character of the adsorbed D-2 is analyzed. The isotopic dependence of the constitutive properties of the quantum fluid are studied by comparing D-2 and H-2. Quantum effects due to their different masses are observed both in the energetic and the structural properties. The influence of the interatomic potential in one-dimensional systems is also studied by comparing the properties of D-2 and He-4 which have nearly the same mass but a sizeably different potential. The physics of molecular hydrogen adsorbed in the interstitial channels of a bundle of nanotubes is analyzed by means of both a diffusion Monte Carlo calculation and an approximate mean-field method.

引用

页码：1 / 8

页数：8

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