MODIFIED CARBON NANOSTRUCTURES AS MATERIALS FOR HYDROGEN STORAGE

被引：4

作者：

Avdeenkov, A. V. ^{[1
]}

Bibikov, A. V. ^{[1
]}

Bodrenko, I. V. ^{[1
]}

Nikolaev, A. V. ^{[1
,2
]}

Taran, M. D. ^{[3
]}

Tkalya, E. V. ^{[1
]}

机构：

[1] Moscow MV Lomonosov State Univ, Skobeltsyn Inst Nucl Phys, Moscow, Russia

[2] RAS, Inst Phys Chem, Moscow 117901, Russia

[3] Troitsk Inst Innovat & Thermonucl Res, Troitsk, Russia

来源：

RUSSIAN PHYSICS JOURNAL | 2009年 / 52卷 / 11期

关键词：

hydrogen storage; physical adsorption; Hartry-Fock method; Mueller-Plesset method 2; force field; nanotube; covalent organic framework; 2ND-ORDER PERTURBATION-THEORY;

D O I：

10.1007/s11182-010-9363-8

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

Within the framework of ab initio simulation, a number of modifications of well-known carbon nanostructures are proposed, which could form the basis for designing materials with high adsorptivity for molecular hydrogen.

引用

页码：1235 / 1241

页数：7

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