Porous nanotube network: a novel 3-D nanostructured material with enhanced hydrogen storage capacity

被引：53

作者：

Tylianakis, Emmanuel ^{[2
]}

Dimitrakakis, Georgios K. ^{[1
]}

Melchor, Santiago ^{[3
]}

Dobado, Jose A. ^{[3
]}

Froudakis, George E. ^{[1
]}

机构：

[1] Univ Crete, Dept Chem, Iraklion 71003, Crete, Greece

[2] Univ Crete, Mat Sci & Technol Dept, Iraklion 71003, Crete, Greece

[3] Univ Granada, Dept Quim Organ, Grp Modelizac & Diseno Mol, E-18071 Granada, Spain

来源：

CHEMICAL COMMUNICATIONS | 2011年 / 47卷 / 08期

关键词：

COVALENT ORGANIC FRAMEWORKS; WALLED CARBON NANOTUBES; MOLECULAR-HYDROGEN; GRAPHENE; ADSORPTION; DESIGN; LI;

D O I：

10.1039/c0cc03002c

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

A multiscale theoretical approach (ab initio and Grand Canonical Monte Carlo calculations) was used to investigate hydrogen storage in a novel three-dimensional carbon nanostructure. Our results show that a large-pore PNN can overpass the gravimetric capacity of 20% at 77 K while a Li-doped PNN can reach the value of 8% at room temperature.

引用

页码：2303 / 2305

页数：3

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